data_11062
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of mouse lipocalin-type prostaglandin D synthase possessing
a intrinsic disulfide bond.
;
_BMRB_accession_number 11062
_BMRB_flat_file_name bmr11062.str
_Entry_type original
_Submission_date 2008-12-24
_Accession_date 2008-12-24
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Miyamoto Yuya . .
2 Nishimura Shigenori . .
3 Inui Takashi . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 713
"13C chemical shifts" 465
"15N chemical shifts" 165
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-02-04 update BMRB 'complete entry citation'
2010-01-11 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural analysis of lipocalin-type prostaglandin D synthase complexed
with biliverdin by small-angle X-ray scattering and multi-dimensional NMR
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19833210
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Miyamoto Yuya . .
2 Nishimura Shigenori . .
3 Inoue Katsuaki . .
4 Shimamoto Shigeru . .
5 Yoshida Takuya . .
6 Fukuhara Ayano . .
7 Yamada Mao . .
8 Urade Yoshihiro . .
9 Yagi Naoto . .
10 Ohkubo Tadayasu . .
11 Inui Takashi . .
stop_
_Journal_abbreviation 'J. Struct. Biol.'
_Journal_name_full 'Journal of structural biology'
_Journal_volume 169
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 209
_Page_last 218
_Year 2010
_Details .
loop_
_Keyword
'conformational change'
'molecular modeling'
NMR
SAXS
'structural flexibility'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'lipocalin-type prostaglandin D synthase'
_Enzyme_commission_number 5.3.99.2
loop_
_Mol_system_component_name
_Mol_label
'lipocalin-type prostaglandin D synthase' $entity_1
stop_
_System_molecular_weight 18500
_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 'lipocalin-type prostaglandin D synthase'
_Molecular_mass 18500
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 167
_Mol_residue_sequence
;
GSQGHDTVQPNFQQDKFLGR
WYSAGLASNSSWFREKKAVL
YMAKTVVAPSTEGGLNLTST
FLRKNQCETKIMVLQPAGAP
GHYTYSSPHSGSIHSVSVVE
ANYDEYALLFSRGTKGPGQD
FRMATLYSRTQTLKDELKEK
FTTFSKAQGLTEEDIVFLPQ
PDKCIQE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 23 GLY 2 24 SER 3 25 GLN 4 26 GLY 5 27 HIS
6 28 ASP 7 29 THR 8 30 VAL 9 31 GLN 10 32 PRO
11 33 ASN 12 34 PHE 13 35 GLN 14 36 GLN 15 37 ASP
16 38 LYS 17 39 PHE 18 40 LEU 19 41 GLY 20 42 ARG
21 43 TRP 22 44 TYR 23 45 SER 24 46 ALA 25 47 GLY
26 48 LEU 27 49 ALA 28 50 SER 29 51 ASN 30 52 SER
31 53 SER 32 54 TRP 33 55 PHE 34 56 ARG 35 57 GLU
36 58 LYS 37 59 LYS 38 60 ALA 39 61 VAL 40 62 LEU
41 63 TYR 42 64 MET 43 65 ALA 44 66 LYS 45 67 THR
46 68 VAL 47 69 VAL 48 70 ALA 49 71 PRO 50 72 SER
51 73 THR 52 74 GLU 53 75 GLY 54 76 GLY 55 77 LEU
56 78 ASN 57 79 LEU 58 80 THR 59 81 SER 60 82 THR
61 83 PHE 62 84 LEU 63 85 ARG 64 86 LYS 65 87 ASN
66 88 GLN 67 89 CYS 68 90 GLU 69 91 THR 70 92 LYS
71 93 ILE 72 94 MET 73 95 VAL 74 96 LEU 75 97 GLN
76 98 PRO 77 99 ALA 78 100 GLY 79 101 ALA 80 102 PRO
81 103 GLY 82 104 HIS 83 105 TYR 84 106 THR 85 107 TYR
86 108 SER 87 109 SER 88 110 PRO 89 111 HIS 90 112 SER
91 113 GLY 92 114 SER 93 115 ILE 94 116 HIS 95 117 SER
96 118 VAL 97 119 SER 98 120 VAL 99 121 VAL 100 122 GLU
101 123 ALA 102 124 ASN 103 125 TYR 104 126 ASP 105 127 GLU
106 128 TYR 107 129 ALA 108 130 LEU 109 131 LEU 110 132 PHE
111 133 SER 112 134 ARG 113 135 GLY 114 136 THR 115 137 LYS
116 138 GLY 117 139 PRO 118 140 GLY 119 141 GLN 120 142 ASP
121 143 PHE 122 144 ARG 123 145 MET 124 146 ALA 125 147 THR
126 148 LEU 127 149 TYR 128 150 SER 129 151 ARG 130 152 THR
131 153 GLN 132 154 THR 133 155 LEU 134 156 LYS 135 157 ASP
136 158 GLU 137 159 LEU 138 160 LYS 139 161 GLU 140 162 LYS
141 163 PHE 142 164 THR 143 165 THR 144 166 PHE 145 167 SER
146 168 LYS 147 169 ALA 148 170 GLN 149 171 GLY 150 172 LEU
151 173 THR 152 174 GLU 153 175 GLU 154 176 ASP 155 177 ILE
156 178 VAL 157 179 PHE 158 180 LEU 159 181 PRO 160 182 GLN
161 183 PRO 162 184 ASP 163 185 LYS 164 186 CYS 165 187 ILE
166 188 GLN 167 189 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-04-26
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
BMRB 10137 L-PGDS 100.00 167 99.40 99.40 3.99e-120
BMRB 18473 lipocalin-type_prostaglandin_D_synthase 100.00 167 98.20 98.20 1.44e-117
PDB 2CZT "Lipocalin-Type Prostaglandin D Synthase" 100.00 167 100.00 100.00 6.63e-121
PDB 2CZU "Lipocalin-Type Prostaglandin D Synthase" 100.00 167 100.00 100.00 6.63e-121
PDB 2E4J "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase" 100.00 167 98.20 98.20 1.44e-117
PDB 2KTD "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Substrate Analog (U-46619) Complex" 100.00 167 98.20 98.20 1.44e-117
PDB 2RQ0 "Solution Structure Of Mouse Lipocalin-Type Prostaglandin D Synthase Possessing The Intrinsic Disulfide Bond" 100.00 167 100.00 100.00 6.63e-121
DBJ BAA74461 "prostaglandin D2 synthase [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
DBJ BAE20833 "unnamed protein product [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
EMBL CAA61506 "prostaglandin D synthetase [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
EMBL CAA71226 "prostaglandin D synthase [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
GB AAH38083 "Ptgds protein [Mus musculus]" 75.45 126 99.21 99.21 1.38e-86
GB AAH43015 "Prostaglandin D2 synthase (brain) [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
GB EDL08248 "prostaglandin D2 synthase (brain), isoform CRA_a, partial [Mus musculus]" 99.40 214 98.80 99.40 9.47e-118
GB EDL08250 "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
GB EDL08251 "prostaglandin D2 synthase (brain), isoform CRA_c [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
REF NP_032989 "prostaglandin-H2 D-isomerase precursor [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
REF XP_006497849 "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
REF XP_006497850 "PREDICTED: prostaglandin-H2 D-isomerase isoform X1 [Mus musculus]" 99.40 189 98.80 99.40 3.14e-118
SP O09114 "RecName: Full=Prostaglandin-H2 D-isomerase; AltName: Full=Glutathione-independent PGD synthase; AltName: Full=Lipocalin-type pr" 99.40 189 98.80 99.40 3.14e-118
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 Mouse 10090 Eukaryota Metazoa Mus musculus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'recombinant technology' . Escherichia coli . pGEX-2T
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 0.5 mM '[U-13C; U-15N]'
'acetic acid' 20 mM [U-2H]
H2O 90 % .
D2O 10 % .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.5 mM '[U-13C; U-15N]'
'acetic acid' 20 mM [U-2H]
D2O 99.9 % .
stop_
save_
############################
# Computer software used #
############################
save_Sparky
_Saveframe_category software
_Name SPARKY
_Version 3.115
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.2.
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.02 . M
pH 4 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
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 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
'3D 1H-15N TOCSY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'lipocalin-type prostaglandin D synthase'
_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 23 1 GLY HA2 H 3.924 0.01 2
2 23 1 GLY CA C 43.313 0.2 1
3 24 2 SER H H 8.695 0.01 1
4 24 2 SER HA H 4.531 0.01 1
5 24 2 SER HB2 H 3.877 0.01 2
6 24 2 SER CA C 58.296 0.2 1
7 24 2 SER CB C 63.897 0.2 1
8 24 2 SER N N 115.751 0.2 1
9 25 3 GLN H H 8.618 0.01 1
10 25 3 GLN HA H 4.367 0.01 1
11 25 3 GLN HB2 H 2.002 0.01 2
12 25 3 GLN HB3 H 2.125 0.01 2
13 25 3 GLN HG2 H 2.397 0.01 2
14 25 3 GLN CA C 56.059 0.2 1
15 25 3 GLN CB C 29.248 0.2 1
16 25 3 GLN CG C 33.768 0.2 1
17 25 3 GLN N N 122.346 0.2 1
18 26 4 GLY H H 8.431 0.01 1
19 26 4 GLY HA2 H 3.904 0.01 2
20 26 4 GLY CA C 45.171 0.2 1
21 26 4 GLY N N 109.885 0.2 1
22 27 5 HIS H H 8.342 0.01 1
23 27 5 HIS HA H 4.75 0.01 1
24 27 5 HIS HB2 H 3.134 0.01 2
25 27 5 HIS HB3 H 3.269 0.01 2
26 27 5 HIS HD1 H 7.269 0.01 1
27 27 5 HIS CA C 54.946 0.2 1
28 27 5 HIS CB C 29.344 0.2 1
29 27 5 HIS CD2 C 120.021 0.2 1
30 27 5 HIS N N 117.765 0.2 1
31 28 6 ASP H H 8.518 0.01 1
32 28 6 ASP HA H 4.735 0.01 1
33 28 6 ASP HB2 H 2.561 0.01 2
34 28 6 ASP HB3 H 2.708 0.01 2
35 28 6 ASP CA C 54.282 0.2 1
36 28 6 ASP CB C 41.098 0.2 1
37 28 6 ASP N N 121.91 0.2 1
38 29 7 THR H H 8.25 0.01 1
39 29 7 THR HA H 4.343 0.01 1
40 29 7 THR HB H 4.173 0.01 1
41 29 7 THR HG2 H 1.204 0.01 1
42 29 7 THR CA C 62.124 0.2 1
43 29 7 THR CB C 69.861 0.2 1
44 29 7 THR CG2 C 21.672 0.2 1
45 29 7 THR N N 116.925 0.2 1
46 30 8 VAL H H 7.798 0.01 1
47 30 8 VAL HA H 4.369 0.01 1
48 30 8 VAL HB H 1.856 0.01 1
49 30 8 VAL HG1 H 0.758 0.01 2
50 30 8 VAL CA C 60.171 0.2 1
51 30 8 VAL CB C 34.758 0.2 1
52 30 8 VAL CG1 C 21.028 0.2 2
53 30 8 VAL N N 119.837 0.2 1
54 31 9 GLN H H 8.472 0.01 1
55 31 9 GLN HA H 4.383 0.01 1
56 31 9 GLN HB2 H 1.848 0.01 2
57 31 9 GLN HE21 H 7.044 0.01 2
58 31 9 GLN HE22 H 7.888 0.01 2
59 31 9 GLN CA C 53.204 0.2 1
60 31 9 GLN CB C 29.785 0.2 1
61 31 9 GLN CG C 33.045 0.2 1
62 31 9 GLN N N 127.192 0.2 1
63 31 9 GLN NE2 N 114.158 0.2 1
64 32 10 PRO HA H 4.426 0.01 1
65 32 10 PRO HB2 H 1.94 0.01 2
66 32 10 PRO HB3 H 2.381 0.01 2
67 32 10 PRO HD2 H 3.757 0.01 2
68 32 10 PRO HD3 H 4.101 0.01 2
69 32 10 PRO CA C 63.431 0.2 1
70 32 10 PRO CB C 32.297 0.2 1
71 32 10 PRO CD C 51.664 0.2 1
72 32 10 PRO CG C 27.567 0.2 1
73 33 11 ASN H H 8.972 0.01 1
74 33 11 ASN HA H 4.539 0.01 1
75 33 11 ASN HB2 H 2.799 0.01 2
76 33 11 ASN HB3 H 3.027 0.01 2
77 33 11 ASN HD21 H 6.972 0.01 2
78 33 11 ASN HD22 H 7.666 0.01 2
79 33 11 ASN CA C 53.563 0.2 1
80 33 11 ASN CB C 37.923 0.2 1
81 33 11 ASN N N 119.013 0.2 1
82 33 11 ASN ND2 N 112.57 0.2 1
83 34 12 PHE H H 7.996 0.01 1
84 34 12 PHE HA H 4.186 0.01 1
85 34 12 PHE HB2 H 3.321 0.01 2
86 34 12 PHE HD1 H 7.062 0.01 3
87 34 12 PHE CA C 59.402 0.2 1
88 34 12 PHE CB C 39.516 0.2 1
89 34 12 PHE N N 119.073 0.2 1
90 35 13 GLN H H 7.402 0.01 1
91 35 13 GLN HA H 4.303 0.01 1
92 35 13 GLN HB2 H 1.313 0.01 2
93 35 13 GLN HB3 H 1.781 0.01 2
94 35 13 GLN HE21 H 6.917 0.01 2
95 35 13 GLN HE22 H 7.423 0.01 2
96 35 13 GLN HG2 H 2.362 0.01 2
97 35 13 GLN CA C 53.093 0.2 1
98 35 13 GLN CB C 29.598 0.2 1
99 35 13 GLN CG C 32.992 0.2 1
100 35 13 GLN N N 128.226 0.2 1
101 35 13 GLN NE2 N 112.628 0.2 1
102 36 14 GLN H H 8.736 0.01 1
103 36 14 GLN HA H 3.503 0.01 1
104 36 14 GLN HB2 H 2.12 0.01 2
105 36 14 GLN HB3 H 2.26 0.01 2
106 36 14 GLN CA C 60.089 0.2 1
107 36 14 GLN CB C 29.596 0.2 1
108 36 14 GLN CG C 35.828 0.2 1
109 36 14 GLN N N 124.702 0.2 1
110 37 15 ASP H H 8.628 0.01 1
111 37 15 ASP HA H 4.229 0.01 1
112 37 15 ASP HB2 H 2.557 0.01 2
113 37 15 ASP HB3 H 2.656 0.01 2
114 37 15 ASP CA C 56.326 0.2 1
115 37 15 ASP CB C 39.182 0.2 1
116 37 15 ASP N N 114.027 0.2 1
117 38 16 LYS H H 6.859 0.01 1
118 38 16 LYS HA H 4.06 0.01 1
119 38 16 LYS HB3 H 1.145 0.01 2
120 38 16 LYS CA C 56.445 0.2 1
121 38 16 LYS CB C 31.077 0.2 1
122 38 16 LYS CD C 28.481 0.2 1
123 38 16 LYS CE C 41.906 0.2 1
124 38 16 LYS CG C 25.084 0.2 1
125 38 16 LYS N N 116.638 0.2 1
126 39 17 PHE H H 7.454 0.01 1
127 39 17 PHE HA H 4.822 0.01 1
128 39 17 PHE HB2 H 3.183 0.01 2
129 39 17 PHE HB3 H 3.339 0.01 2
130 39 17 PHE HD1 H 7.218 0.01 3
131 39 17 PHE CA C 57.301 0.2 1
132 39 17 PHE CB C 42.087 0.2 1
133 39 17 PHE N N 119.221 0.2 1
134 40 18 LEU H H 6.674 0.01 1
135 40 18 LEU HA H 3.911 0.01 1
136 40 18 LEU HB2 H 1.56 0.01 2
137 40 18 LEU HB3 H 1.845 0.01 2
138 40 18 LEU HD1 H 0.7 0.01 2
139 40 18 LEU HD2 H 1.066 0.01 2
140 40 18 LEU HG H 2.271 0.01 1
141 40 18 LEU CA C 54.86 0.2 1
142 40 18 LEU CB C 42.421 0.2 1
143 40 18 LEU CD1 C 22.385 0.2 2
144 40 18 LEU CD2 C 25.345 0.2 2
145 40 18 LEU CG C 25.976 0.2 1
146 40 18 LEU N N 112.003 0.2 1
147 41 19 GLY H H 8.876 0.01 1
148 41 19 GLY HA2 H 3.718 0.01 2
149 41 19 GLY HA3 H 4.341 0.01 2
150 41 19 GLY CA C 44.093 0.2 1
151 41 19 GLY N N 107.87 0.2 1
152 42 20 ARG H H 8.678 0.01 1
153 42 20 ARG HA H 4.495 0.01 1
154 42 20 ARG HB2 H 1.668 0.01 2
155 42 20 ARG CA C 56.924 0.2 1
156 42 20 ARG CB C 30.828 0.2 1
157 42 20 ARG N N 121.873 0.2 1
158 43 21 TRP H H 9.32 0.01 1
159 43 21 TRP HA H 4.685 0.01 1
160 43 21 TRP HB2 H 2.176 0.01 2
161 43 21 TRP HD1 H 6.593 0.01 1
162 43 21 TRP HE1 H 9.733 0.01 1
163 43 21 TRP CA C 55.343 0.2 1
164 43 21 TRP CB C 34.55 0.2 1
165 43 21 TRP CD1 C 127.965 0.2 1
166 43 21 TRP N N 130.676 0.2 1
167 43 21 TRP NE1 N 130.608 0.2 1
168 44 22 TYR H H 9.661 0.01 1
169 44 22 TYR HA H 5.607 0.01 1
170 44 22 TYR HB2 H 2.825 0.01 2
171 44 22 TYR HB3 H 3.113 0.01 2
172 44 22 TYR HD1 H 7.099 0.01 3
173 44 22 TYR HE1 H 6.836 0.01 3
174 44 22 TYR CA C 56.782 0.2 1
175 44 22 TYR CB C 39.975 0.2 1
176 44 22 TYR CD1 C 133.58 0.2 3
177 44 22 TYR CE1 C 118.076 0.2 3
178 44 22 TYR N N 117.926 0.2 1
179 45 23 SER H H 9.249 0.01 1
180 45 23 SER HA H 4.705 0.01 1
181 45 23 SER HB2 H 3.784 0.01 2
182 45 23 SER HB3 H 3.93 0.01 2
183 45 23 SER CA C 57.06 0.2 1
184 45 23 SER CB C 62.668 0.2 1
185 45 23 SER N N 119.038 0.2 1
186 46 24 ALA H H 8.724 0.01 1
187 46 24 ALA HA H 4.877 0.01 1
188 46 24 ALA HB H 1.52 0.01 1
189 46 24 ALA CA C 51.953 0.2 1
190 46 24 ALA CB C 22.855 0.2 1
191 46 24 ALA N N 126.183 0.2 1
192 47 25 GLY H H 7.82 0.01 1
193 47 25 GLY HA2 H 2.841 0.01 2
194 47 25 GLY HA3 H 4.943 0.01 2
195 47 25 GLY CA C 45.285 0.2 1
196 47 25 GLY N N 107.738 0.2 1
197 48 26 LEU H H 9.082 0.01 1
198 48 26 LEU HA H 5.454 0.01 1
199 48 26 LEU HB2 H 1.602 0.01 2
200 48 26 LEU HD1 H 1.121 0.01 2
201 48 26 LEU HD2 H 1.144 0.01 2
202 48 26 LEU HG H 1.603 0.01 1
203 48 26 LEU CA C 54.277 0.2 1
204 48 26 LEU CB C 49.097 0.2 1
205 48 26 LEU CD1 C 25.921 0.2 2
206 48 26 LEU CD2 C 25.654 0.2 2
207 48 26 LEU CG C 27.543 0.2 1
208 48 26 LEU N N 125.132 0.2 1
209 49 27 ALA H H 8.854 0.01 1
210 49 27 ALA HA H 5.571 0.01 1
211 49 27 ALA HB H 1.127 0.01 1
212 49 27 ALA CA C 50.788 0.2 1
213 49 27 ALA CB C 24.289 0.2 1
214 49 27 ALA N N 123.65 0.2 1
215 50 28 SER H H 7.321 0.01 1
216 50 28 SER HA H 4.625 0.01 1
217 50 28 SER HB2 H 2.587 0.01 2
218 50 28 SER HB3 H 3.559 0.01 2
219 50 28 SER CA C 56.119 0.2 1
220 50 28 SER CB C 64.886 0.2 1
221 50 28 SER N N 113.858 0.2 1
222 51 29 ASN H H 7.743 0.01 1
223 51 29 ASN HA H 4.809 0.01 1
224 51 29 ASN HB2 H 2.547 0.01 2
225 51 29 ASN HB3 H 3.296 0.01 2
226 51 29 ASN HD21 H 7.18 0.01 2
227 51 29 ASN HD22 H 7.69 0.01 2
228 51 29 ASN CA C 51.651 0.2 1
229 51 29 ASN CB C 37.86 0.2 1
230 51 29 ASN N N 120.399 0.2 1
231 51 29 ASN ND2 N 110.09 0.2 1
232 52 30 SER H H 8.156 0.01 1
233 52 30 SER HA H 4.46 0.01 1
234 52 30 SER HB2 H 3.943 0.01 2
235 52 30 SER HB3 H 4.093 0.01 2
236 52 30 SER CA C 58.432 0.2 1
237 52 30 SER CB C 64.745 0.2 1
238 52 30 SER N N 116.012 0.2 1
239 53 31 SER H H 9.142 0.01 1
240 53 31 SER HA H 4.003 0.01 1
241 53 31 SER HB2 H 4.018 0.01 2
242 53 31 SER N N 120.999 0.2 1
243 54 32 TRP H H 8.03 0.01 1
244 54 32 TRP HA H 4.329 0.01 1
245 54 32 TRP HB2 H 3.245 0.01 2
246 54 32 TRP HB3 H 3.421 0.01 2
247 54 32 TRP HD1 H 7.366 0.01 1
248 54 32 TRP HE1 H 10.191 0.01 1
249 54 32 TRP CA C 60.082 0.2 1
250 54 32 TRP CB C 28.641 0.2 1
251 54 32 TRP CD1 C 127.653 0.2 1
252 54 32 TRP N N 121.477 0.2 1
253 54 32 TRP NE1 N 129.897 0.2 1
254 55 33 PHE H H 7.333 0.01 1
255 55 33 PHE HA H 3.603 0.01 1
256 55 33 PHE HB2 H 2.633 0.01 2
257 55 33 PHE HB3 H 2.899 0.01 2
258 55 33 PHE HD1 H 7.08 0.01 3
259 55 33 PHE CA C 61.288 0.2 1
260 55 33 PHE CB C 39.446 0.2 1
261 55 33 PHE CD1 C 131.972 0.2 3
262 55 33 PHE N N 120.174 0.2 1
263 56 34 ARG H H 7.86 0.01 1
264 56 34 ARG HA H 3.721 0.01 1
265 56 34 ARG HB2 H 1.926 0.01 2
266 56 34 ARG HD2 H 3.213 0.01 2
267 56 34 ARG HG2 H 1.72 0.01 2
268 56 34 ARG HG3 H 1.844 0.01 2
269 56 34 ARG CA C 59.457 0.2 1
270 56 34 ARG CB C 30.014 0.2 1
271 56 34 ARG CD C 43.426 0.2 1
272 56 34 ARG CG C 28.032 0.2 1
273 56 34 ARG N N 117.452 0.2 1
274 57 35 GLU H H 7.715 0.01 1
275 57 35 GLU HA H 4.1 0.01 1
276 57 35 GLU HB2 H 2.052 0.01 2
277 57 35 GLU HG2 H 2.284 0.01 2
278 57 35 GLU HG3 H 2.409 0.01 2
279 57 35 GLU CA C 57.997 0.2 1
280 57 35 GLU CB C 29.97 0.2 1
281 57 35 GLU CG C 35.916 0.2 1
282 57 35 GLU N N 116.049 0.2 1
283 58 36 LYS H H 7.614 0.01 1
284 58 36 LYS HA H 4.225 0.01 1
285 58 36 LYS HB2 H 1.199 0.01 2
286 58 36 LYS HB3 H 1.615 0.01 2
287 58 36 LYS HD2 H 1.356 0.01 2
288 58 36 LYS HD3 H 1.448 0.01 2
289 58 36 LYS CA C 55.355 0.2 1
290 58 36 LYS CB C 32.528 0.2 1
291 58 36 LYS CD C 28.226 0.2 1
292 58 36 LYS CE C 42.08 0.2 1
293 58 36 LYS CG C 24.548 0.2 1
294 58 36 LYS N N 116.955 0.2 1
295 59 37 LYS H H 7.546 0.01 1
296 59 37 LYS HA H 3.403 0.01 1
297 59 37 LYS HB2 H 1.116 0.01 2
298 59 37 LYS HB3 H 1.329 0.01 2
299 59 37 LYS CA C 59.757 0.2 1
300 59 37 LYS CB C 31.569 0.2 1
301 59 37 LYS CD C 29.707 0.2 1
302 59 37 LYS CE C 41.897 0.2 1
303 59 37 LYS CG C 23.728 0.2 1
304 59 37 LYS N N 118.551 0.2 1
305 60 38 ALA H H 7.94 0.01 1
306 60 38 ALA HA H 4.215 0.01 1
307 60 38 ALA HB H 1.387 0.01 1
308 60 38 ALA CA C 53.352 0.2 1
309 60 38 ALA CB C 19.247 0.2 1
310 60 38 ALA N N 118.227 0.2 1
311 61 39 VAL H H 7.917 0.01 1
312 61 39 VAL HA H 4.466 0.01 1
313 61 39 VAL HB H 2.527 0.01 1
314 61 39 VAL HG1 H 0.884 0.01 2
315 61 39 VAL HG2 H 0.944 0.01 2
316 61 39 VAL CA C 60.339 0.2 1
317 61 39 VAL CB C 31.626 0.2 1
318 61 39 VAL CG1 C 21.16 0.2 2
319 61 39 VAL CG2 C 19.276 0.2 2
320 61 39 VAL N N 111.011 0.2 1
321 62 40 LEU H H 6.773 0.01 1
322 62 40 LEU HA H 4.495 0.01 1
323 62 40 LEU HB2 H 1.341 0.01 2
324 62 40 LEU HB3 H 1.538 0.01 2
325 62 40 LEU HD1 H 0.846 0.01 2
326 62 40 LEU CA C 54.357 0.2 1
327 62 40 LEU CB C 43.272 0.2 1
328 62 40 LEU CD1 C 22.442 0.2 2
329 62 40 LEU N N 121.749 0.2 1
330 63 41 TYR H H 8.277 0.01 1
331 63 41 TYR HA H 4.837 0.01 1
332 63 41 TYR HB2 H 3.197 0.01 2
333 63 41 TYR HD1 H 7.082 0.01 3
334 63 41 TYR CA C 56.696 0.2 1
335 63 41 TYR CB C 42.753 0.2 1
336 63 41 TYR N N 118.215 0.2 1
337 64 42 MET H H 8.749 0.01 1
338 64 42 MET HA H 4.324 0.01 1
339 64 42 MET HE H 2.301 0.01 1
340 64 42 MET HG2 H 2.371 0.01 2
341 64 42 MET HG3 H 2.979 0.01 2
342 64 42 MET CA C 57.707 0.2 1
343 64 42 MET CB C 35.348 0.2 1
344 64 42 MET CE C 16.621 0.2 1
345 64 42 MET CG C 31.161 0.2 1
346 64 42 MET N N 122.104 0.2 1
347 65 43 ALA H H 7.715 0.01 1
348 65 43 ALA HA H 5.26 0.01 1
349 65 43 ALA HB H 1.525 0.01 1
350 65 43 ALA CA C 50.03 0.2 1
351 65 43 ALA CB C 22.614 0.2 1
352 65 43 ALA N N 126.545 0.2 1
353 66 44 LYS H H 8.405 0.01 1
354 66 44 LYS HA H 4.79 0.01 1
355 66 44 LYS HB2 H 1.771 0.01 2
356 66 44 LYS HB3 H 1.908 0.01 2
357 66 44 LYS CA C 55.7 0.2 1
358 66 44 LYS CB C 34.887 0.2 1
359 66 44 LYS N N 122.33 0.2 1
360 67 45 THR H H 9.398 0.01 1
361 67 45 THR HA H 5.067 0.01 1
362 67 45 THR HB H 3.459 0.01 1
363 67 45 THR HG2 H 0.9 0.01 1
364 67 45 THR CA C 62.069 0.2 1
365 67 45 THR CB C 72.034 0.2 1
366 67 45 THR CG2 C 21.275 0.2 1
367 67 45 THR N N 125.471 0.2 1
368 68 46 VAL H H 9.026 0.01 1
369 68 46 VAL HA H 4.51 0.01 1
370 68 46 VAL HB H 1.933 0.01 1
371 68 46 VAL HG1 H 0.814 0.01 2
372 68 46 VAL CA C 61.532 0.2 1
373 68 46 VAL CB C 33.257 0.2 1
374 68 46 VAL CG1 C 21.473 0.2 2
375 68 46 VAL N N 126.96 0.2 1
376 69 47 VAL H H 9.346 0.01 1
377 69 47 VAL HA H 4.7 0.01 1
378 69 47 VAL HB H 2.272 0.01 1
379 69 47 VAL HG1 H 0.709 0.01 2
380 69 47 VAL HG2 H 0.913 0.01 2
381 69 47 VAL CA C 61.99 0.2 1
382 69 47 VAL CB C 32.495 0.2 1
383 69 47 VAL CG1 C 21.497 0.2 2
384 69 47 VAL CG2 C 23.587 0.2 2
385 69 47 VAL N N 130.792 0.2 1
386 70 48 ALA H H 9.268 0.01 1
387 70 48 ALA HA H 5.121 0.01 1
388 70 48 ALA HB H 1.495 0.01 1
389 70 48 ALA CA C 49.71 0.2 1
390 70 48 ALA CB C 21.349 0.2 1
391 70 48 ALA N N 133.796 0.2 1
392 71 49 PRO HA H 4.842 0.01 1
393 71 49 PRO HB2 H 1.996 0.01 2
394 71 49 PRO HB3 H 2.43 0.01 2
395 71 49 PRO CA C 63.04 0.2 1
396 71 49 PRO CB C 32.195 0.2 1
397 71 49 PRO CD C 50.636 0.2 1
398 71 49 PRO CG C 27.622 0.2 1
399 72 50 SER H H 8.025 0.01 1
400 72 50 SER HA H 4.914 0.01 1
401 72 50 SER HB2 H 3.481 0.01 2
402 72 50 SER HB3 H 4.117 0.01 2
403 72 50 SER CA C 55.615 0.2 1
404 72 50 SER CB C 65.439 0.2 1
405 72 50 SER N N 117.492 0.2 1
406 73 51 THR H H 8.73 0.01 1
407 73 51 THR HA H 4.145 0.01 1
408 73 51 THR HB H 4.335 0.01 1
409 73 51 THR HG2 H 1.341 0.01 1
410 73 51 THR CA C 64.544 0.2 1
411 73 51 THR CB C 68.785 0.2 1
412 73 51 THR CG2 C 22.091 0.2 1
413 73 51 THR N N 116.878 0.2 1
414 74 52 GLU H H 8.151 0.01 1
415 74 52 GLU HA H 4.475 0.01 1
416 74 52 GLU HB2 H 2.031 0.01 2
417 74 52 GLU HB3 H 2.31 0.01 2
418 74 52 GLU HG2 H 2.366 0.01 2
419 74 52 GLU CA C 56.422 0.2 1
420 74 52 GLU CB C 28.86 0.2 1
421 74 52 GLU CG C 35.917 0.2 1
422 74 52 GLU N N 118.204 0.2 1
423 75 53 GLY H H 7.778 0.01 1
424 75 53 GLY HA2 H 3.864 0.01 2
425 75 53 GLY HA3 H 4.446 0.01 2
426 75 53 GLY CA C 45.501 0.2 1
427 75 53 GLY N N 106.348 0.2 1
428 76 54 GLY H H 7.775 0.01 1
429 76 54 GLY HA2 H 4.177 0.01 2
430 76 54 GLY HA3 H 4.677 0.01 2
431 76 54 GLY CA C 43.906 0.2 1
432 76 54 GLY N N 108.46 0.2 1
433 77 55 LEU H H 8.311 0.01 1
434 77 55 LEU HA H 5.116 0.01 1
435 77 55 LEU HB2 H 1.113 0.01 2
436 77 55 LEU HB3 H 1.264 0.01 2
437 77 55 LEU CA C 53.425 0.2 1
438 77 55 LEU CB C 47.604 0.2 1
439 77 55 LEU N N 120.236 0.2 1
440 78 56 ASN H H 9.424 0.01 1
441 78 56 ASN HA H 5.149 0.01 1
442 78 56 ASN HB2 H 2.487 0.01 2
443 78 56 ASN HD21 H 6.465 0.01 2
444 78 56 ASN HD22 H 7.153 0.01 2
445 78 56 ASN CA C 52.316 0.2 1
446 78 56 ASN CB C 40.839 0.2 1
447 78 56 ASN N N 120.305 0.2 1
448 78 56 ASN ND2 N 109.46 0.2 1
449 79 57 LEU H H 9.259 0.01 1
450 79 57 LEU HA H 4.903 0.01 1
451 79 57 LEU CA C 54.713 0.2 1
452 79 57 LEU CB C 42.533 0.2 1
453 79 57 LEU N N 127.309 0.2 1
454 80 58 THR H H 8.973 0.01 1
455 80 58 THR HA H 4.941 0.01 1
456 80 58 THR HB H 4.072 0.01 1
457 80 58 THR HG2 H 1.101 0.01 1
458 80 58 THR CA C 62.501 0.2 1
459 80 58 THR CB C 68.984 0.2 1
460 80 58 THR CG2 C 21.136 0.2 1
461 80 58 THR N N 122.763 0.2 1
462 81 59 SER H H 9.549 0.01 1
463 81 59 SER HA H 6.045 0.01 1
464 81 59 SER HB2 H 3.726 0.01 2
465 81 59 SER CA C 57.242 0.2 1
466 81 59 SER CB C 65.536 0.2 1
467 81 59 SER N N 126.425 0.2 1
468 82 60 THR H H 9.332 0.01 1
469 82 60 THR HA H 5.464 0.01 1
470 82 60 THR HB H 3.884 0.01 1
471 82 60 THR HG2 H 1.201 0.01 1
472 82 60 THR CA C 61.719 0.2 1
473 82 60 THR CB C 70.846 0.2 1
474 82 60 THR CG2 C 21.628 0.2 1
475 82 60 THR N N 121.445 0.2 1
476 83 61 PHE H H 8.794 0.01 1
477 83 61 PHE HA H 5.266 0.01 1
478 83 61 PHE HB2 H 3.125 0.01 2
479 83 61 PHE HD1 H 7.003 0.01 3
480 83 61 PHE HE1 H 6.907 0.01 3
481 83 61 PHE CA C 54.698 0.2 1
482 83 61 PHE CB C 42.327 0.2 1
483 83 61 PHE CD1 C 133.06 0.2 3
484 83 61 PHE N N 121.707 0.2 1
485 84 62 LEU H H 8.915 0.01 1
486 84 62 LEU HA H 4.885 0.01 1
487 84 62 LEU HB2 H 1.136 0.01 2
488 84 62 LEU HB3 H 1.765 0.01 2
489 84 62 LEU HD1 H 0.515 0.01 2
490 84 62 LEU HD2 H 0.703 0.01 2
491 84 62 LEU HG H 1.387 0.01 1
492 84 62 LEU CA C 54.447 0.2 1
493 84 62 LEU CB C 43.627 0.2 1
494 84 62 LEU CD1 C 26.485 0.2 2
495 84 62 LEU CD2 C 23.65 0.2 2
496 84 62 LEU CG C 27.577 0.2 1
497 84 62 LEU N N 122.16 0.2 1
498 85 63 ARG H H 9.213 0.01 1
499 85 63 ARG HA H 4.645 0.01 1
500 85 63 ARG HB2 H 1.824 0.01 2
501 85 63 ARG HB3 H 1.913 0.01 2
502 85 63 ARG HD2 H 3.367 0.01 2
503 85 63 ARG CA C 56.244 0.2 1
504 85 63 ARG CB C 32.551 0.2 1
505 85 63 ARG CD C 43.448 0.2 1
506 85 63 ARG CG C 27.449 0.2 1
507 85 63 ARG N N 128.889 0.2 1
508 86 64 LYS H H 9.466 0.01 1
509 86 64 LYS HA H 3.869 0.01 1
510 86 64 LYS HB2 H 1.923 0.01 2
511 86 64 LYS HB3 H 2.096 0.01 2
512 86 64 LYS HD2 H 1.765 0.01 2
513 86 64 LYS HE2 H 3.042 0.01 2
514 86 64 LYS HG2 H 1.504 0.01 2
515 86 64 LYS CA C 58.497 0.2 1
516 86 64 LYS CB C 30.202 0.2 1
517 86 64 LYS CD C 29.165 0.2 1
518 86 64 LYS CE C 41.881 0.2 1
519 86 64 LYS CG C 25.442 0.2 1
520 86 64 LYS N N 127.634 0.2 1
521 87 65 ASN H H 8.648 0.01 1
522 87 65 ASN HA H 4.5 0.01 1
523 87 65 ASN HB2 H 2.867 0.01 2
524 87 65 ASN HB3 H 3.076 0.01 2
525 87 65 ASN HD21 H 6.944 0.01 2
526 87 65 ASN HD22 H 7.592 0.01 2
527 87 65 ASN CA C 54.059 0.2 1
528 87 65 ASN CB C 38.861 0.2 1
529 87 65 ASN N N 113.645 0.2 1
530 87 65 ASN ND2 N 112.131 0.2 1
531 88 66 GLN H H 8.009 0.01 1
532 88 66 GLN HA H 4.72 0.01 1
533 88 66 GLN HB2 H 2.008 0.01 2
534 88 66 GLN HB3 H 2.139 0.01 2
535 88 66 GLN HE21 H 6.855 0.01 2
536 88 66 GLN HE22 H 7.533 0.01 2
537 88 66 GLN HG2 H 2.403 0.01 2
538 88 66 GLN CA C 53.951 0.2 1
539 88 66 GLN CB C 32.36 0.2 1
540 88 66 GLN CG C 33.348 0.2 1
541 88 66 GLN N N 118.506 0.2 1
542 88 66 GLN NE2 N 111.559 0.2 1
543 89 67 CYS H H 8.712 0.01 1
544 89 67 CYS HA H 5.398 0.01 1
545 89 67 CYS HB2 H 2.704 0.01 2
546 89 67 CYS HB3 H 2.832 0.01 2
547 89 67 CYS CA C 52.821 0.2 1
548 89 67 CYS CB C 36.78 0.2 1
549 89 67 CYS N N 119.694 0.2 1
550 90 68 GLU H H 9.083 0.01 1
551 90 68 GLU HA H 4.568 0.01 1
552 90 68 GLU HB2 H 1.244 0.01 2
553 90 68 GLU HB3 H 1.613 0.01 2
554 90 68 GLU HG2 H 2.144 0.01 2
555 90 68 GLU CA C 54.905 0.2 1
556 90 68 GLU CB C 33.372 0.2 1
557 90 68 GLU CG C 36.168 0.2 1
558 90 68 GLU N N 126.906 0.2 1
559 91 69 THR H H 8.233 0.01 1
560 91 69 THR HA H 5.721 0.01 1
561 91 69 THR HB H 3.82 0.01 1
562 91 69 THR HG2 H 1.11 0.01 1
563 91 69 THR CA C 60.732 0.2 1
564 91 69 THR CB C 71.796 0.2 1
565 91 69 THR CG2 C 21.65 0.2 1
566 91 69 THR N N 115.413 0.2 1
567 92 70 LYS H H 9.232 0.01 1
568 92 70 LYS HA H 4.847 0.01 1
569 92 70 LYS HB2 H 1.945 0.01 2
570 92 70 LYS HD2 H 1.75 0.01 2
571 92 70 LYS HE2 H 2.894 0.01 2
572 92 70 LYS HG2 H 1.455 0.01 2
573 92 70 LYS HG3 H 1.56 0.01 2
574 92 70 LYS CA C 54.766 0.2 1
575 92 70 LYS CB C 36.982 0.2 1
576 92 70 LYS CD C 29.019 0.2 1
577 92 70 LYS CE C 41.916 0.2 1
578 92 70 LYS CG C 24.952 0.2 1
579 92 70 LYS N N 125.378 0.2 1
580 93 71 ILE H H 8.751 0.01 1
581 93 71 ILE HA H 5.101 0.01 1
582 93 71 ILE HB H 1.702 0.01 1
583 93 71 ILE HD1 H 0.873 0.01 1
584 93 71 ILE HG12 H 1.214 0.01 2
585 93 71 ILE HG13 H 1.535 0.01 2
586 93 71 ILE HG2 H 0.811 0.01 1
587 93 71 ILE CA C 60.391 0.2 1
588 93 71 ILE CB C 40.534 0.2 1
589 93 71 ILE CD1 C 13.942 0.2 1
590 93 71 ILE CG1 C 28.269 0.2 1
591 93 71 ILE CG2 C 17.36 0.2 1
592 93 71 ILE N N 124.29 0.2 1
593 94 72 MET H H 9.003 0.01 1
594 94 72 MET HA H 4.775 0.01 1
595 94 72 MET HB2 H 1.817 0.01 2
596 94 72 MET HG2 H 2.202 0.01 2
597 94 72 MET CA C 54.673 0.2 1
598 94 72 MET CB C 36.889 0.2 1
599 94 72 MET CG C 31.294 0.2 1
600 94 72 MET N N 127.651 0.2 1
601 95 73 VAL H H 8.607 0.01 1
602 95 73 VAL HA H 4.74 0.01 1
603 95 73 VAL HB H 2.082 0.01 1
604 95 73 VAL HG1 H 1.032 0.01 2
605 95 73 VAL CA C 62.08 0.2 1
606 95 73 VAL CB C 33.333 0.2 1
607 95 73 VAL CG1 C 21.019 0.2 2
608 95 73 VAL N N 125.436 0.2 1
609 96 74 LEU H H 9.278 0.01 1
610 96 74 LEU HA H 5.089 0.01 1
611 96 74 LEU HB2 H 1.427 0.01 2
612 96 74 LEU CA C 53.117 0.2 1
613 96 74 LEU CB C 42.342 0.2 1
614 96 74 LEU N N 127.76 0.2 1
615 97 75 GLN H H 9.28 0.01 1
616 97 75 GLN HA H 5.018 0.01 1
617 97 75 GLN HB2 H 2.177 0.01 2
618 97 75 GLN HG2 H 2.485 0.01 2
619 97 75 GLN CA C 53.326 0.2 1
620 97 75 GLN CB C 29.255 0.2 1
621 97 75 GLN CG C 33.631 0.2 1
622 97 75 GLN N N 125.135 0.2 1
623 98 76 PRO HA H 4.407 0.01 1
624 98 76 PRO HB2 H 2.068 0.01 2
625 98 76 PRO HB3 H 2.415 0.01 2
626 98 76 PRO CA C 64.216 0.2 1
627 98 76 PRO CB C 32.365 0.2 1
628 99 77 ALA H H 8.021 0.01 1
629 99 77 ALA HA H 4.691 0.01 1
630 99 77 ALA HB H 1.128 0.01 1
631 99 77 ALA CA C 50.927 0.2 1
632 99 77 ALA CB C 20.003 0.2 1
633 99 77 ALA N N 126.607 0.2 1
634 100 78 GLY H H 8.185 0.01 1
635 100 78 GLY HA2 H 3.56 0.01 2
636 100 78 GLY HA3 H 4.211 0.01 2
637 100 78 GLY CA C 45.692 0.2 1
638 100 78 GLY N N 109.388 0.2 1
639 101 79 ALA H H 8.074 0.01 1
640 101 79 ALA HA H 4.624 0.01 1
641 101 79 ALA HB H 1.3 0.01 1
642 101 79 ALA CA C 50.576 0.2 1
643 101 79 ALA CB C 18.277 0.2 1
644 101 79 ALA N N 126.934 0.2 1
645 102 80 PRO HA H 4.425 0.01 1
646 102 80 PRO HB2 H 2.569 0.01 2
647 102 80 PRO CA C 63.915 0.2 1
648 102 80 PRO CB C 32.093 0.2 1
649 102 80 PRO CD C 50.566 0.2 1
650 102 80 PRO CG C 28.112 0.2 1
651 103 81 GLY H H 8.227 0.01 1
652 103 81 GLY HA2 H 2.428 0.01 2
653 103 81 GLY HA3 H 3.673 0.01 2
654 103 81 GLY CA C 44.671 0.2 1
655 103 81 GLY N N 111.362 0.2 1
656 104 82 HIS H H 7.61 0.01 1
657 104 82 HIS HA H 5.169 0.01 1
658 104 82 HIS HB2 H 2.949 0.01 2
659 104 82 HIS HB3 H 3.266 0.01 2
660 104 82 HIS HD1 H 7.338 0.01 1
661 104 82 HIS CA C 54.457 0.2 1
662 104 82 HIS CB C 29.867 0.2 1
663 104 82 HIS CD2 C 120.224 0.2 1
664 104 82 HIS N N 117.393 0.2 1
665 105 83 TYR H H 9.164 0.01 1
666 105 83 TYR HA H 5.465 0.01 1
667 105 83 TYR HB2 H 2.442 0.01 2
668 105 83 TYR HB3 H 3.14 0.01 2
669 105 83 TYR HD1 H 6.613 0.01 3
670 105 83 TYR CA C 56.894 0.2 1
671 105 83 TYR CB C 44.686 0.2 1
672 105 83 TYR CD1 C 133.488 0.2 3
673 105 83 TYR N N 122.473 0.2 1
674 106 84 THR H H 9.475 0.01 1
675 106 84 THR HA H 5.439 0.01 1
676 106 84 THR HB H 4.125 0.01 1
677 106 84 THR HG2 H 1.131 0.01 1
678 106 84 THR CA C 60.469 0.2 1
679 106 84 THR CB C 72.344 0.2 1
680 106 84 THR CG2 C 21.599 0.2 1
681 106 84 THR N N 112.202 0.2 1
682 107 85 TYR H H 8.723 0.01 1
683 107 85 TYR HA H 5.239 0.01 1
684 107 85 TYR HB2 H 2.771 0.01 2
685 107 85 TYR HB3 H 3.02 0.01 2
686 107 85 TYR HD1 H 6.944 0.01 3
687 107 85 TYR CA C 56.392 0.2 1
688 107 85 TYR CB C 41.653 0.2 1
689 107 85 TYR N N 118.519 0.2 1
690 108 86 SER H H 8.509 0.01 1
691 108 86 SER HA H 4.564 0.01 1
692 108 86 SER HB2 H 3.606 0.01 2
693 108 86 SER CA C 56.42 0.2 1
694 108 86 SER CB C 63.939 0.2 1
695 108 86 SER N N 120.384 0.2 1
696 109 87 SER H H 8.155 0.01 1
697 109 87 SER HA H 4.519 0.01 1
698 109 87 SER HB2 H 3.588 0.01 2
699 109 87 SER HB3 H 3.707 0.01 2
700 109 87 SER CA C 56.046 0.2 1
701 109 87 SER CB C 63.145 0.2 1
702 109 87 SER N N 120.949 0.2 1
703 110 88 PRO HA H 4.287 0.01 1
704 110 88 PRO HB2 H 1.699 0.01 2
705 110 88 PRO CA C 64.081 0.2 1
706 110 88 PRO CB C 32.049 0.2 1
707 110 88 PRO CD C 51.043 0.2 1
708 110 88 PRO CG C 27.436 0.2 1
709 111 89 HIS H H 8.535 0.01 1
710 111 89 HIS HA H 4.421 0.01 1
711 111 89 HIS HB2 H 3.269 0.01 2
712 111 89 HIS CA C 56.683 0.2 1
713 111 89 HIS CB C 27.859 0.2 1
714 111 89 HIS N N 115.372 0.2 1
715 112 90 SER H H 8.012 0.01 1
716 112 90 SER HA H 4.422 0.01 1
717 112 90 SER HB2 H 3.788 0.01 2
718 112 90 SER HB3 H 3.896 0.01 2
719 112 90 SER CA C 58.586 0.2 1
720 112 90 SER CB C 64.405 0.2 1
721 112 90 SER N N 112.865 0.2 1
722 113 91 GLY H H 8.239 0.01 1
723 113 91 GLY HA2 H 3.911 0.01 2
724 113 91 GLY HA3 H 3.966 0.01 2
725 113 91 GLY CA C 45.627 0.2 1
726 113 91 GLY N N 110.848 0.2 1
727 114 92 SER H H 7.757 0.01 1
728 114 92 SER HA H 4.518 0.01 1
729 114 92 SER HB2 H 3.702 0.01 2
730 114 92 SER CA C 58.132 0.2 1
731 114 92 SER CB C 64.34 0.2 1
732 114 92 SER N N 114.404 0.2 1
733 115 93 ILE H H 8.456 0.01 1
734 115 93 ILE HA H 4.412 0.01 1
735 115 93 ILE HB H 1.75 0.01 1
736 115 93 ILE HD1 H 0.796 0.01 1
737 115 93 ILE HG12 H 1.13 0.01 2
738 115 93 ILE HG13 H 1.494 0.01 2
739 115 93 ILE HG2 H 0.841 0.01 1
740 115 93 ILE CA C 60.573 0.2 1
741 115 93 ILE CB C 39.061 0.2 1
742 115 93 ILE CD1 C 12.417 0.2 1
743 115 93 ILE CG1 C 27.414 0.2 1
744 115 93 ILE CG2 C 17.465 0.2 1
745 115 93 ILE N N 124.873 0.2 1
746 116 94 HIS H H 8.994 0.01 1
747 116 94 HIS HA H 5.309 0.01 1
748 116 94 HIS CA C 53.919 0.2 1
749 116 94 HIS CB C 27.883 0.2 1
750 116 94 HIS N N 125.591 0.2 1
751 117 95 SER H H 9.153 0.01 1
752 117 95 SER HA H 5.101 0.01 1
753 117 95 SER HB2 H 3.918 0.01 2
754 117 95 SER CA C 57.114 0.2 1
755 117 95 SER CB C 64.43 0.2 1
756 117 95 SER N N 117.598 0.2 1
757 118 96 VAL H H 9.055 0.01 1
758 118 96 VAL HA H 5.009 0.01 1
759 118 96 VAL HG1 H 0.815 0.01 2
760 118 96 VAL CA C 61.453 0.2 1
761 118 96 VAL CB C 35.098 0.2 1
762 118 96 VAL CG1 C 20.733 0.2 2
763 118 96 VAL N N 126.585 0.2 1
764 119 97 SER H H 9.032 0.01 1
765 119 97 SER HA H 5.543 0.01 1
766 119 97 SER HB2 H 3.724 0.01 2
767 119 97 SER CA C 56.29 0.2 1
768 119 97 SER CB C 65.799 0.2 1
769 119 97 SER N N 121.395 0.2 1
770 120 98 VAL H H 8.402 0.01 1
771 120 98 VAL HA H 4.027 0.01 1
772 120 98 VAL HB H 1.391 0.01 1
773 120 98 VAL HG1 H 0.179 0.01 2
774 120 98 VAL HG2 H 0.394 0.01 2
775 120 98 VAL CA C 62.212 0.2 1
776 120 98 VAL CB C 29.25 0.2 1
777 120 98 VAL CG1 C 18.674 0.2 2
778 120 98 VAL CG2 C 21.332 0.2 2
779 120 98 VAL N N 124.771 0.2 1
780 121 99 VAL H H 8.361 0.01 1
781 121 99 VAL HA H 3.723 0.01 1
782 121 99 VAL HB H 1.692 0.01 1
783 121 99 VAL HG1 H 0.905 0.01 2
784 121 99 VAL CA C 65.202 0.2 1
785 121 99 VAL CB C 32.718 0.2 1
786 121 99 VAL CG1 C 21.21 0.2 2
787 121 99 VAL N N 128.844 0.2 1
788 122 100 GLU H H 7.188 0.01 1
789 122 100 GLU HA H 4.726 0.01 1
790 122 100 GLU HB2 H 1.871 0.01 2
791 122 100 GLU HB3 H 1.956 0.01 2
792 122 100 GLU CA C 54.951 0.2 1
793 122 100 GLU CB C 34.111 0.2 1
794 122 100 GLU N N 113.832 0.2 1
795 123 101 ALA H H 8.708 0.01 1
796 123 101 ALA HA H 4.365 0.01 1
797 123 101 ALA HB H 0.95 0.01 1
798 123 101 ALA CA C 52.217 0.2 1
799 123 101 ALA CB C 21.568 0.2 1
800 123 101 ALA N N 124.349 0.2 1
801 127 105 GLU HA H 3.719 0.01 1
802 127 105 GLU CA C 59.422 0.2 1
803 127 105 GLU CB C 35.689 0.2 1
804 128 106 TYR H H 9.359 0.01 1
805 128 106 TYR HA H 6.292 0.01 1
806 128 106 TYR HB2 H 3.261 0.01 2
807 128 106 TYR HD1 H 6.713 0.01 3
808 128 106 TYR HE1 H 6.941 0.01 3
809 128 106 TYR CA C 58.184 0.2 1
810 128 106 TYR CB C 42.417 0.2 1
811 128 106 TYR CD1 C 133.496 0.2 3
812 128 106 TYR CE1 C 117.775 0.2 3
813 128 106 TYR N N 118.441 0.2 1
814 129 107 ALA H H 9.057 0.01 1
815 129 107 ALA HA H 4.724 0.01 1
816 129 107 ALA HB H 0.895 0.01 1
817 129 107 ALA CA C 51.666 0.2 1
818 129 107 ALA CB C 22.72 0.2 1
819 129 107 ALA N N 120.309 0.2 1
820 130 108 LEU H H 8.889 0.01 1
821 130 108 LEU HA H 5.191 0.01 1
822 130 108 LEU HB2 H 0.973 0.01 2
823 130 108 LEU HB3 H 1.303 0.01 2
824 130 108 LEU HD1 H 0.614 0.01 2
825 130 108 LEU HD2 H 0.697 0.01 2
826 130 108 LEU CA C 53.73 0.2 1
827 130 108 LEU CB C 43.792 0.2 1
828 130 108 LEU CD1 C 24.837 0.2 2
829 130 108 LEU CD2 C 25.103 0.2 2
830 130 108 LEU N N 122.798 0.2 1
831 131 109 LEU H H 9.168 0.01 1
832 131 109 LEU HA H 5.41 0.01 1
833 131 109 LEU HB2 H 1.452 0.01 2
834 131 109 LEU HB3 H 1.642 0.01 2
835 131 109 LEU HD1 H 0.465 0.01 2
836 131 109 LEU HD2 H 0.523 0.01 2
837 131 109 LEU HG H 1.469 0.01 1
838 131 109 LEU CA C 54.387 0.2 1
839 131 109 LEU CB C 45.159 0.2 1
840 131 109 LEU CD1 C 24.269 0.2 2
841 131 109 LEU CD2 C 25.156 0.2 2
842 131 109 LEU CG C 30.331 0.2 1
843 131 109 LEU N N 126.359 0.2 1
844 132 110 PHE H H 9.15 0.01 1
845 132 110 PHE HA H 5.687 0.01 1
846 132 110 PHE HB2 H 3.065 0.01 2
847 132 110 PHE HD1 H 7.259 0.01 3
848 132 110 PHE HE1 H 7.085 0.01 3
849 132 110 PHE CA C 56.501 0.2 1
850 132 110 PHE CB C 43.567 0.2 1
851 132 110 PHE N N 120.892 0.2 1
852 133 111 SER H H 8.978 0.01 1
853 133 111 SER HA H 5.702 0.01 1
854 133 111 SER HB2 H 3.786 0.01 2
855 133 111 SER CA C 55.789 0.2 1
856 133 111 SER CB C 65.521 0.2 1
857 133 111 SER N N 125.184 0.2 1
858 134 112 ARG H H 8.581 0.01 1
859 134 112 ARG HA H 5.151 0.01 1
860 134 112 ARG HB2 H 1.82 0.01 2
861 134 112 ARG HD2 H 3.269 0.01 2
862 134 112 ARG HD3 H 3.316 0.01 2
863 134 112 ARG HG2 H 1.614 0.01 2
864 134 112 ARG CA C 53.502 0.2 1
865 134 112 ARG CB C 34.324 0.2 1
866 134 112 ARG CD C 43.662 0.2 1
867 134 112 ARG CG C 26.564 0.2 1
868 134 112 ARG N N 120.408 0.2 1
869 135 113 GLY H H 8.195 0.01 1
870 135 113 GLY HA2 H 4.108 0.01 2
871 135 113 GLY HA3 H 4.342 0.01 2
872 135 113 GLY CA C 45.735 0.2 1
873 135 113 GLY N N 108.687 0.2 1
874 136 114 THR H H 8.437 0.01 1
875 136 114 THR HA H 4.686 0.01 1
876 136 114 THR HB H 4.26 0.01 1
877 136 114 THR HG2 H 1.231 0.01 1
878 136 114 THR CA C 61.317 0.2 1
879 136 114 THR CB C 70.64 0.2 1
880 136 114 THR CG2 C 21.781 0.2 1
881 136 114 THR N N 112.383 0.2 1
882 137 115 LYS H H 8.042 0.01 1
883 137 115 LYS HA H 4.457 0.01 1
884 137 115 LYS HB2 H 1.833 0.01 2
885 137 115 LYS HD2 H 1.716 0.01 2
886 137 115 LYS HE2 H 2.996 0.01 2
887 137 115 LYS HG2 H 1.482 0.01 2
888 137 115 LYS CA C 56.861 0.2 1
889 137 115 LYS CB C 34.523 0.2 1
890 137 115 LYS CD C 29.182 0.2 1
891 137 115 LYS CE C 41.903 0.2 1
892 137 115 LYS CG C 24.764 0.2 1
893 137 115 LYS N N 121.031 0.2 1
894 138 116 GLY H H 8.574 0.01 1
895 138 116 GLY HA2 H 3.894 0.01 2
896 138 116 GLY HA3 H 4.566 0.01 2
897 138 116 GLY CA C 44.217 0.2 1
898 138 116 GLY N N 112.843 0.2 1
899 139 117 PRO HA H 4.452 0.01 1
900 139 117 PRO HB2 H 1.947 0.01 2
901 139 117 PRO HB3 H 2.386 0.01 2
902 139 117 PRO HD2 H 3.686 0.01 2
903 139 117 PRO HG2 H 2.13 0.01 2
904 139 117 PRO CA C 63.92 0.2 1
905 139 117 PRO CB C 31.786 0.2 1
906 139 117 PRO CD C 49.674 0.2 1
907 139 117 PRO CG C 27.564 0.2 1
908 140 118 GLY H H 8.835 0.01 1
909 140 118 GLY HA2 H 4.03 0.01 2
910 140 118 GLY HA3 H 4.187 0.01 2
911 140 118 GLY CA C 45.949 0.2 1
912 140 118 GLY N N 110.324 0.2 1
913 141 119 GLN H H 8.062 0.01 1
914 141 119 GLN HA H 4.067 0.01 1
915 141 119 GLN HB2 H 2 0.01 2
916 141 119 GLN HB3 H 2.308 0.01 2
917 141 119 GLN CA C 57.874 0.2 1
918 141 119 GLN CB C 28.638 0.2 1
919 141 119 GLN CG C 33.051 0.2 1
920 141 119 GLN N N 119.674 0.2 1
921 142 120 ASP H H 8.554 0.01 1
922 142 120 ASP HA H 4.606 0.01 1
923 142 120 ASP HB2 H 2.708 0.01 2
924 142 120 ASP CA C 54.348 0.2 1
925 142 120 ASP CB C 40.529 0.2 1
926 142 120 ASP N N 117.596 0.2 1
927 143 121 PHE H H 7.89 0.01 1
928 143 121 PHE HA H 4.477 0.01 1
929 143 121 PHE HB2 H 2.574 0.01 2
930 143 121 PHE HB3 H 2.665 0.01 2
931 143 121 PHE HD1 H 6.808 0.01 3
932 143 121 PHE HE1 H 7.153 0.01 3
933 143 121 PHE CA C 59.232 0.2 1
934 143 121 PHE CB C 39.898 0.2 1
935 143 121 PHE CD1 C 131.035 0.2 3
936 143 121 PHE CE1 C 130.895 0.2 3
937 143 121 PHE N N 122.226 0.2 1
938 144 122 ARG H H 7.956 0.01 1
939 144 122 ARG HA H 4.664 0.01 1
940 144 122 ARG HB2 H 1.627 0.01 2
941 144 122 ARG HB3 H 1.7 0.01 2
942 144 122 ARG HD2 H 3.443 0.01 2
943 144 122 ARG HG2 H 1.743 0.01 2
944 144 122 ARG CA C 54.337 0.2 1
945 144 122 ARG CB C 34.705 0.2 1
946 144 122 ARG CD C 43.596 0.2 1
947 144 122 ARG CG C 27.456 0.2 1
948 144 122 ARG N N 126.876 0.2 1
949 145 123 MET H H 8.444 0.01 1
950 145 123 MET HA H 5.157 0.01 1
951 145 123 MET HB2 H 1.768 0.01 2
952 145 123 MET HB3 H 1.889 0.01 2
953 145 123 MET HG2 H 2.332 0.01 2
954 145 123 MET CA C 54.904 0.2 1
955 145 123 MET CB C 37.618 0.2 1
956 145 123 MET CG C 31.5 0.2 1
957 145 123 MET N N 121.767 0.2 1
958 146 124 ALA H H 9.809 0.01 1
959 146 124 ALA HA H 5.801 0.01 1
960 146 124 ALA HB H 1.605 0.01 1
961 146 124 ALA CA C 50.289 0.2 1
962 146 124 ALA CB C 22.63 0.2 1
963 146 124 ALA N N 132.634 0.2 1
964 147 125 THR H H 9.169 0.01 1
965 147 125 THR HA H 4.974 0.01 1
966 147 125 THR HB H 3.722 0.01 1
967 147 125 THR HG2 H 0.874 0.01 1
968 147 125 THR CA C 62.27 0.2 1
969 147 125 THR CB C 71.431 0.2 1
970 147 125 THR CG2 C 21.203 0.2 1
971 147 125 THR N N 118.001 0.2 1
972 148 126 LEU H H 8.287 0.01 1
973 148 126 LEU HA H 4.994 0.01 1
974 148 126 LEU HB2 H 0.332 0.01 2
975 148 126 LEU HB3 H 1.002 0.01 2
976 148 126 LEU HD1 H 0.979 0.01 2
977 148 126 LEU HG H 0.736 0.01 1
978 148 126 LEU CA C 52.917 0.2 1
979 148 126 LEU CB C 42.487 0.2 1
980 148 126 LEU CD1 C 23.768 0.2 2
981 148 126 LEU CG C 26.81 0.2 1
982 148 126 LEU N N 128.462 0.2 1
983 149 127 TYR H H 9.352 0.01 1
984 149 127 TYR HA H 5.745 0.01 1
985 149 127 TYR HB2 H 2.435 0.01 2
986 149 127 TYR HB3 H 2.987 0.01 2
987 149 127 TYR HE1 H 6.479 0.01 3
988 149 127 TYR CA C 55.277 0.2 1
989 149 127 TYR CB C 40.105 0.2 1
990 149 127 TYR CE1 C 117.313 0.2 3
991 149 127 TYR N N 127.854 0.2 1
992 150 128 SER H H 9.808 0.01 1
993 150 128 SER HA H 6.032 0.01 1
994 150 128 SER HB2 H 3.851 0.01 2
995 150 128 SER HB3 H 4.113 0.01 2
996 150 128 SER CA C 55.349 0.2 1
997 150 128 SER CB C 66.028 0.2 1
998 150 128 SER N N 113.673 0.2 1
999 151 129 ARG H H 8.667 0.01 1
1000 151 129 ARG HA H 4.184 0.01 1
1001 151 129 ARG HB2 H 1.988 0.01 2
1002 151 129 ARG CA C 56.959 0.2 1
1003 151 129 ARG CB C 31.553 0.2 1
1004 151 129 ARG N N 126.102 0.2 1
1005 152 130 THR H H 8.244 0.01 1
1006 152 130 THR HA H 4.879 0.01 1
1007 152 130 THR HB H 4.506 0.01 1
1008 152 130 THR HG2 H 1.293 0.01 1
1009 152 130 THR CA C 59.501 0.2 1
1010 152 130 THR CB C 71.244 0.2 1
1011 152 130 THR CG2 C 21.248 0.2 1
1012 152 130 THR N N 108.224 0.2 1
1013 153 131 GLN H H 8.765 0.01 1
1014 153 131 GLN HA H 3.664 0.01 1
1015 153 131 GLN HB2 H 1.551 0.01 2
1016 153 131 GLN HB3 H 1.839 0.01 2
1017 153 131 GLN HE21 H 6.36 0.01 2
1018 153 131 GLN HE22 H 6.62 0.01 2
1019 153 131 GLN HG2 H 1.303 0.01 2
1020 153 131 GLN HG3 H 1.37 0.01 2
1021 153 131 GLN CA C 57.614 0.2 1
1022 153 131 GLN CB C 28.738 0.2 1
1023 153 131 GLN CG C 33.474 0.2 1
1024 153 131 GLN N N 119.385 0.2 1
1025 153 131 GLN NE2 N 108.331 0.2 1
1026 154 132 THR H H 7.242 0.01 1
1027 154 132 THR HA H 4.309 0.01 1
1028 154 132 THR HB H 4.046 0.01 1
1029 154 132 THR HG2 H 1.135 0.01 1
1030 154 132 THR CA C 60.406 0.2 1
1031 154 132 THR CB C 70.006 0.2 1
1032 154 132 THR CG2 C 21.55 0.2 1
1033 154 132 THR N N 108.689 0.2 1
1034 155 133 LEU H H 8.608 0.01 1
1035 155 133 LEU HA H 4.631 0.01 1
1036 155 133 LEU HB2 H 1.422 0.01 2
1037 155 133 LEU HB3 H 1.517 0.01 2
1038 155 133 LEU HD1 H 0.823 0.01 2
1039 155 133 LEU HD2 H 0.865 0.01 2
1040 155 133 LEU HG H 1.686 0.01 1
1041 155 133 LEU CA C 53.415 0.2 1
1042 155 133 LEU CB C 44.57 0.2 1
1043 155 133 LEU CD1 C 24.799 0.2 2
1044 155 133 LEU CD2 C 25.984 0.2 2
1045 155 133 LEU CG C 26.633 0.2 1
1046 155 133 LEU N N 124.56 0.2 1
1047 156 134 LYS H H 8.157 0.01 1
1048 156 134 LYS HA H 4.374 0.01 1
1049 156 134 LYS HB2 H 1.764 0.01 2
1050 156 134 LYS HB3 H 2.111 0.01 2
1051 156 134 LYS HD2 H 1.781 0.01 2
1052 156 134 LYS HE2 H 3.042 0.01 2
1053 156 134 LYS HG2 H 1.59 0.01 2
1054 156 134 LYS CA C 56.031 0.2 1
1055 156 134 LYS CB C 33.505 0.2 1
1056 156 134 LYS CD C 29.17 0.2 1
1057 156 134 LYS CE C 41.805 0.2 1
1058 156 134 LYS CG C 25.373 0.2 1
1059 156 134 LYS N N 123.852 0.2 1
1060 157 135 ASP H H 8.974 0.01 1
1061 157 135 ASP HA H 4.143 0.01 1
1062 157 135 ASP HB2 H 2.647 0.01 2
1063 157 135 ASP CA C 58.252 0.2 1
1064 157 135 ASP CB C 39.857 0.2 1
1065 157 135 ASP N N 124.197 0.2 1
1066 158 136 GLU H H 9.287 0.01 1
1067 158 136 GLU HA H 4.141 0.01 1
1068 158 136 GLU HB2 H 1.978 0.01 2
1069 158 136 GLU HB3 H 2.065 0.01 2
1070 158 136 GLU HG2 H 2.337 0.01 2
1071 158 136 GLU CA C 59.348 0.2 1
1072 158 136 GLU CB C 28.638 0.2 1
1073 158 136 GLU CG C 35.479 0.2 1
1074 158 136 GLU N N 117.885 0.2 1
1075 159 137 LEU H H 7.246 0.01 1
1076 159 137 LEU HA H 4.053 0.01 1
1077 159 137 LEU HB2 H 1.51 0.01 2
1078 159 137 LEU HB3 H 1.801 0.01 2
1079 159 137 LEU HD1 H 0.59 0.01 2
1080 159 137 LEU HD2 H 0.797 0.01 2
1081 159 137 LEU CA C 56.663 0.2 1
1082 159 137 LEU CB C 41.666 0.2 1
1083 159 137 LEU CD1 C 23.948 0.2 2
1084 159 137 LEU CD2 C 24.752 0.2 2
1085 159 137 LEU CG C 27.474 0.2 1
1086 159 137 LEU N N 119.393 0.2 1
1087 160 138 LYS H H 7.383 0.01 1
1088 160 138 LYS HA H 3.997 0.01 1
1089 160 138 LYS HB2 H 1.502 0.01 2
1090 160 138 LYS HB3 H 1.824 0.01 2
1091 160 138 LYS HD2 H 1.125 0.01 2
1092 160 138 LYS HD3 H 1.294 0.01 2
1093 160 138 LYS HE2 H 2.346 0.01 2
1094 160 138 LYS CA C 60.416 0.2 1
1095 160 138 LYS CB C 31.478 0.2 1
1096 160 138 LYS CD C 29.073 0.2 1
1097 160 138 LYS CE C 41.561 0.2 1
1098 160 138 LYS CG C 25.643 0.2 1
1099 160 138 LYS N N 119.612 0.2 1
1100 161 139 GLU H H 7.978 0.01 1
1101 161 139 GLU HA H 4.176 0.01 1
1102 161 139 GLU HB2 H 2.121 0.01 2
1103 161 139 GLU HG2 H 2.381 0.01 2
1104 161 139 GLU HG3 H 2.435 0.01 2
1105 161 139 GLU CA C 59.139 0.2 1
1106 161 139 GLU CB C 28.417 0.2 1
1107 161 139 GLU CG C 34.641 0.2 1
1108 161 139 GLU N N 119.51 0.2 1
1109 162 140 LYS H H 7.86 0.01 1
1110 162 140 LYS HA H 4.089 0.01 1
1111 162 140 LYS HB2 H 1.798 0.01 2
1112 162 140 LYS HB3 H 2.034 0.01 2
1113 162 140 LYS HD2 H 1.238 0.01 2
1114 162 140 LYS HD3 H 1.695 0.01 2
1115 162 140 LYS HE2 H 2.831 0.01 2
1116 162 140 LYS HE3 H 2.895 0.01 2
1117 162 140 LYS HG2 H 1.339 0.01 2
1118 162 140 LYS HG3 H 1.624 0.01 2
1119 162 140 LYS CA C 59.541 0.2 1
1120 162 140 LYS CB C 32.078 0.2 1
1121 162 140 LYS CD C 28.661 0.2 1
1122 162 140 LYS CE C 40.515 0.2 1
1123 162 140 LYS CG C 23.954 0.2 1
1124 162 140 LYS N N 120.614 0.2 1
1125 163 141 PHE H H 8.548 0.01 1
1126 163 141 PHE HA H 4.444 0.01 1
1127 163 141 PHE HB2 H 3.369 0.01 2
1128 163 141 PHE HD1 H 7.094 0.01 3
1129 163 141 PHE CA C 61.551 0.2 1
1130 163 141 PHE CB C 39.975 0.2 1
1131 163 141 PHE N N 119.075 0.2 1
1132 164 142 THR H H 8.791 0.01 1
1133 164 142 THR HA H 3.721 0.01 1
1134 164 142 THR HB H 4.461 0.01 1
1135 164 142 THR HG2 H 1.311 0.01 1
1136 164 142 THR CA C 67.495 0.2 1
1137 164 142 THR CB C 68.33 0.2 1
1138 164 142 THR CG2 C 21.495 0.2 1
1139 164 142 THR N N 120.224 0.2 1
1140 165 143 THR H H 8.536 0.01 1
1141 165 143 THR HA H 3.764 0.01 1
1142 165 143 THR HB H 4.252 0.01 1
1143 165 143 THR HG2 H 1.27 0.01 1
1144 165 143 THR CA C 66.989 0.2 1
1145 165 143 THR CB C 68.641 0.2 1
1146 165 143 THR CG2 C 21.637 0.2 1
1147 165 143 THR N N 118.456 0.2 1
1148 166 144 PHE H H 8.264 0.01 1
1149 166 144 PHE HA H 4.207 0.01 1
1150 166 144 PHE HB2 H 2.858 0.01 2
1151 166 144 PHE HB3 H 3.316 0.01 2
1152 166 144 PHE HD1 H 7.09 0.01 3
1153 166 144 PHE HE1 H 6.831 0.01 3
1154 166 144 PHE CA C 61.233 0.2 1
1155 166 144 PHE CB C 39.772 0.2 1
1156 166 144 PHE N N 122.676 0.2 1
1157 167 145 SER H H 8.077 0.01 1
1158 167 145 SER HA H 3.283 0.01 1
1159 167 145 SER HB2 H 3.557 0.01 2
1160 167 145 SER CA C 64.031 0.2 1
1161 167 145 SER CB C 62.339 0.2 1
1162 167 145 SER N N 115.714 0.2 1
1163 168 146 LYS H H 8 0.01 1
1164 168 146 LYS HA H 4.434 0.01 1
1165 168 146 LYS HB2 H 1.767 0.01 2
1166 168 146 LYS HD2 H 1.591 0.01 2
1167 168 146 LYS HG2 H 1.294 0.01 2
1168 168 146 LYS CA C 58.915 0.2 1
1169 168 146 LYS CB C 32.022 0.2 1
1170 168 146 LYS CD C 29.455 0.2 1
1171 168 146 LYS CE C 41.71 0.2 1
1172 168 146 LYS CG C 25.665 0.2 1
1173 168 146 LYS N N 121.529 0.2 1
1174 169 147 ALA H H 7.726 0.01 1
1175 169 147 ALA HA H 4.079 0.01 1
1176 169 147 ALA HB H 1.349 0.01 1
1177 169 147 ALA CA C 54.255 0.2 1
1178 169 147 ALA CB C 17.264 0.2 1
1179 169 147 ALA N N 123.249 0.2 1
1180 170 148 GLN H H 7.058 0.01 1
1181 170 148 GLN HA H 4.139 0.01 1
1182 170 148 GLN HB2 H 1.294 0.01 2
1183 170 148 GLN HB3 H 2.023 0.01 2
1184 170 148 GLN HE21 H 5.453 0.01 2
1185 170 148 GLN HE22 H 6.385 0.01 2
1186 170 148 GLN HG2 H 1.579 0.01 2
1187 170 148 GLN CA C 53.091 0.2 1
1188 170 148 GLN CB C 26.931 0.2 1
1189 170 148 GLN CG C 31.13 0.2 1
1190 170 148 GLN N N 113.952 0.2 1
1191 170 148 GLN NE2 N 111.91 0.2 1
1192 171 149 GLY H H 7.651 0.01 1
1193 171 149 GLY HA2 H 3.65 0.01 2
1194 171 149 GLY HA3 H 4.076 0.01 2
1195 171 149 GLY CA C 45.335 0.2 1
1196 171 149 GLY N N 106.21 0.2 1
1197 172 150 LEU H H 7.395 0.01 1
1198 172 150 LEU HA H 4.543 0.01 1
1199 172 150 LEU HB2 H 1.221 0.01 2
1200 172 150 LEU HB3 H 1.359 0.01 2
1201 172 150 LEU HD1 H 0.624 0.01 2
1202 172 150 LEU HD2 H 0.671 0.01 2
1203 172 150 LEU CA C 53.499 0.2 1
1204 172 150 LEU CB C 40.838 0.2 1
1205 172 150 LEU CD1 C 25.288 0.2 2
1206 172 150 LEU CD2 C 23.789 0.2 2
1207 172 150 LEU CG C 27.15 0.2 1
1208 172 150 LEU N N 120.964 0.2 1
1209 173 151 THR H H 8.27 0.01 1
1210 173 151 THR HA H 4.515 0.01 1
1211 173 151 THR HB H 4.53 0.01 1
1212 173 151 THR HG2 H 1.219 0.01 1
1213 173 151 THR CA C 60.236 0.2 1
1214 173 151 THR CB C 71.307 0.2 1
1215 173 151 THR CG2 C 21.648 0.2 1
1216 173 151 THR N N 110.762 0.2 1
1217 174 152 GLU H H 9.041 0.01 1
1218 174 152 GLU HA H 3.908 0.01 1
1219 174 152 GLU HB2 H 2.069 0.01 2
1220 174 152 GLU HG2 H 2.388 0.01 2
1221 174 152 GLU HG3 H 2.457 0.01 2
1222 174 152 GLU CA C 60.19 0.2 1
1223 174 152 GLU CB C 28.823 0.2 1
1224 174 152 GLU CG C 36.037 0.2 1
1225 174 152 GLU N N 118.629 0.2 1
1226 175 153 GLU H H 8.2 0.01 1
1227 175 153 GLU HA H 4.222 0.01 1
1228 175 153 GLU HB2 H 1.991 0.01 2
1229 175 153 GLU HB3 H 2.018 0.01 2
1230 175 153 GLU HG2 H 2.333 0.01 2
1231 175 153 GLU CA C 58.093 0.2 1
1232 175 153 GLU CB C 28.697 0.2 1
1233 175 153 GLU CG C 36.244 0.2 1
1234 175 153 GLU N N 115.885 0.2 1
1235 176 154 ASP H H 7.833 0.01 1
1236 176 154 ASP HA H 4.873 0.01 1
1237 176 154 ASP HB2 H 2.864 0.01 2
1238 176 154 ASP HB3 H 3.226 0.01 2
1239 176 154 ASP CA C 53.936 0.2 1
1240 176 154 ASP CB C 41.47 0.2 1
1241 176 154 ASP N N 118.196 0.2 1
1242 177 155 ILE H H 7.007 0.01 1
1243 177 155 ILE HA H 4.367 0.01 1
1244 177 155 ILE HB H 1.727 0.01 1
1245 177 155 ILE HD1 H 0.734 0.01 1
1246 177 155 ILE HG2 H 0.543 0.01 1
1247 177 155 ILE CA C 61.493 0.2 1
1248 177 155 ILE CB C 40.374 0.2 1
1249 177 155 ILE CD1 C 16.043 0.2 1
1250 177 155 ILE CG1 C 26.78 0.2 1
1251 177 155 ILE CG2 C 17.364 0.2 1
1252 177 155 ILE N N 117.852 0.2 1
1253 178 156 VAL H H 9.203 0.01 1
1254 178 156 VAL HA H 4.544 0.01 1
1255 178 156 VAL HB H 2.056 0.01 1
1256 178 156 VAL HG1 H 0.977 0.01 2
1257 178 156 VAL CA C 60.448 0.2 1
1258 178 156 VAL CB C 36.233 0.2 1
1259 178 156 VAL CG1 C 21.452 0.2 2
1260 178 156 VAL N N 126.166 0.2 1
1261 179 157 PHE H H 8.718 0.01 1
1262 179 157 PHE HA H 5.01 0.01 1
1263 179 157 PHE HB2 H 2.915 0.01 2
1264 179 157 PHE HB3 H 3.184 0.01 2
1265 179 157 PHE HD1 H 7.324 0.01 3
1266 179 157 PHE HE1 H 7.21 0.01 3
1267 179 157 PHE CA C 58.363 0.2 1
1268 179 157 PHE CB C 38.344 0.2 1
1269 179 157 PHE CD1 C 132.05 0.2 3
1270 179 157 PHE N N 124.905 0.2 1
1271 180 158 LEU H H 7.459 0.01 1
1272 180 158 LEU HA H 4.402 0.01 1
1273 180 158 LEU CA C 53.074 0.2 1
1274 180 158 LEU CB C 41.738 0.2 1
1275 180 158 LEU N N 125.466 0.2 1
1276 181 159 PRO HA H 4.771 0.01 1
1277 181 159 PRO CA C 61.916 0.2 1
1278 181 159 PRO CB C 32.363 0.2 1
1279 181 159 PRO CD C 51.062 0.2 1
1280 181 159 PRO CG C 27.093 0.2 1
1281 183 161 PRO HA H 4.666 0.01 1
1282 183 161 PRO HB2 H 1.82 0.01 2
1283 183 161 PRO HB3 H 2.116 0.01 2
1284 183 161 PRO HD2 H 4.45 0.01 2
1285 183 161 PRO CA C 62.292 0.2 1
1286 183 161 PRO CB C 33.337 0.2 1
1287 183 161 PRO CD C 51.006 0.2 1
1288 184 162 ASP H H 8.449 0.01 1
1289 184 162 ASP HA H 4.467 0.01 1
1290 184 162 ASP HB2 H 2.712 0.01 2
1291 184 162 ASP HB3 H 2.819 0.01 2
1292 184 162 ASP CA C 54.064 0.2 1
1293 184 162 ASP CB C 39.919 0.2 1
1294 184 162 ASP N N 117.032 0.2 1
1295 185 163 LYS H H 7.195 0.01 1
1296 185 163 LYS HA H 4.588 0.01 1
1297 185 163 LYS HB2 H 1.664 0.01 2
1298 185 163 LYS HB3 H 1.957 0.01 2
1299 185 163 LYS HD2 H 1.566 0.01 2
1300 185 163 LYS HE2 H 2.851 0.01 2
1301 185 163 LYS HG2 H 1.422 0.01 2
1302 185 163 LYS CA C 55.499 0.2 1
1303 185 163 LYS CB C 35.558 0.2 1
1304 185 163 LYS CD C 29.237 0.2 1
1305 185 163 LYS CE C 41.708 0.2 1
1306 185 163 LYS CG C 23.798 0.2 1
1307 185 163 LYS N N 115.3 0.2 1
1308 186 164 CYS H H 8.427 0.01 1
1309 186 164 CYS HA H 4.313 0.01 1
1310 186 164 CYS HB2 H 2.856 0.01 2
1311 186 164 CYS HB3 H 3.434 0.01 2
1312 186 164 CYS CA C 57.607 0.2 1
1313 186 164 CYS CB C 35.042 0.2 1
1314 186 164 CYS N N 107.133 0.2 1
1315 187 165 ILE H H 7.881 0.01 1
1316 187 165 ILE HA H 4.549 0.01 1
1317 187 165 ILE HB H 2.161 0.01 1
1318 187 165 ILE HD1 H 0.873 0.01 1
1319 187 165 ILE HG12 H 1.074 0.01 2
1320 187 165 ILE HG13 H 1.348 0.01 2
1321 187 165 ILE HG2 H 1.056 0.01 1
1322 187 165 ILE CA C 61.529 0.2 1
1323 187 165 ILE CB C 39.748 0.2 1
1324 187 165 ILE CD1 C 15.091 0.2 1
1325 187 165 ILE CG1 C 27.055 0.2 1
1326 187 165 ILE CG2 C 18.03 0.2 1
1327 187 165 ILE N N 113.57 0.2 1
1328 188 166 GLN H H 8.308 0.01 1
1329 188 166 GLN HA H 4.303 0.01 1
1330 188 166 GLN HB2 H 2.092 0.01 2
1331 188 166 GLN HE21 H 6.595 0.01 2
1332 188 166 GLN HE22 H 7.501 0.01 2
1333 188 166 GLN HG2 H 2.488 0.01 2
1334 188 166 GLN CA C 56.928 0.2 1
1335 188 166 GLN CB C 28.637 0.2 1
1336 188 166 GLN CG C 33.981 0.2 1
1337 188 166 GLN N N 122.915 0.2 1
1338 188 166 GLN NE2 N 110.66 0.2 1
1339 189 167 GLU H H 8.054 0.01 1
1340 189 167 GLU HA H 4.067 0.01 1
1341 189 167 GLU CA C 57.901 0.2 1
1342 189 167 GLU CB C 30.445 0.2 1
1343 189 167 GLU N N 125.884 0.2 1
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