data_25241
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The N-domain of the AAA metalloproteinase Yme1 from Saccharomyces cerevisiae
;
_BMRB_accession_number 25241
_BMRB_flat_file_name bmr25241.str
_Entry_type original
_Submission_date 2014-09-22
_Accession_date 2014-09-22
_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 Scharfenberg Franka . .
2 Serek-Heuberger Justyna . .
3 Martin Joerg . .
4 Lupas Andrei N. .
5 Coles Murray . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 426
"13C chemical shifts" 318
"15N chemical shifts" 56
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-09-13 update BMRB 'update entry citation'
2015-01-26 original author 'original release'
stop_
_Original_release_date 2016-09-22
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structure and Evolution of N-domains in AAA Metalloproteases
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 25576874
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Scharfenberg Franka . .
2 Serek-Heuberger Justyna . .
3 Coles Murray . .
4 Hartmann Marcus D. .
5 Habeck Michael . .
6 Martin Joerg . .
7 Lupas Andrei N. .
8 Alva Vikram . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 427
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 910
_Page_last 923
_Year 2015
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'N-domain of the AAA metalloproteinase Yme1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Yme1-N $Yme1-N
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_Yme1-N
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Yme1-N
_Molecular_mass 10056.332
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 88
_Mol_residue_sequence
;
MVAVSHAMLATREQEANKDL
TSPDAQAAFYKLLLQSNYPQ
YVVSRFETPGIASSPECMEL
YMEALQRIGRHSEADAVRQN
LEHHHHHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 96 MET 2 97 VAL 3 98 ALA 4 99 VAL 5 100 SER
6 101 HIS 7 102 ALA 8 103 MET 9 104 LEU 10 105 ALA
11 106 THR 12 107 ARG 13 108 GLU 14 109 GLN 15 110 GLU
16 111 ALA 17 112 ASN 18 113 LYS 19 114 ASP 20 115 LEU
21 116 THR 22 117 SER 23 118 PRO 24 119 ASP 25 120 ALA
26 121 GLN 27 122 ALA 28 123 ALA 29 124 PHE 30 125 TYR
31 126 LYS 32 127 LEU 33 128 LEU 34 129 LEU 35 130 GLN
36 131 SER 37 132 ASN 38 133 TYR 39 134 PRO 40 135 GLN
41 136 TYR 42 137 VAL 43 138 VAL 44 139 SER 45 140 ARG
46 141 PHE 47 142 GLU 48 143 THR 49 144 PRO 50 145 GLY
51 146 ILE 52 147 ALA 53 148 SER 54 149 SER 55 150 PRO
56 151 GLU 57 152 CYS 58 153 MET 59 154 GLU 60 155 LEU
61 156 TYR 62 157 MET 63 158 GLU 64 159 ALA 65 160 LEU
66 161 GLN 67 162 ARG 68 163 ILE 69 164 GLY 70 165 ARG
71 166 HIS 72 167 SER 73 168 GLU 74 169 ALA 75 170 ASP
76 171 ALA 77 172 VAL 78 173 ARG 79 174 GLN 80 175 ASN
81 176 LEU 82 177 GLU 83 178 HIS 84 179 HIS 85 180 HIS
86 181 HIS 87 182 HIS 88 183 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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
NCBI NP_015349.1 . . . . . .
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$Yme1-N "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces cerevisiae S288c
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
$Yme1-N 'recombinant technology' . Escherichia coli C41(DE3) pET30a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_15N-labelled
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Yme1-N 0.5 mM '[U-100% 15N]'
TRIS 20 mM 'natural abundance'
'sodium chloride' 300 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_13C-15N-labelled
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Yme1-N 0.5 mM '[U-100% 13C; U-100% 15N]'
TRIS 20 mM 'natural abundance'
'sodium chloride' 300 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name X-PLOR_NIH
_Version 2.9.4
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
save_NMR-SPIRIT
_Saveframe_category software
_Name NMR-SPIRIT
_Version 1.1
loop_
_Vendor
_Address
_Electronic_address
'In house' . .
stop_
loop_
_Task
refinement
stop_
_Details '3D-NOESY back-calculation suite'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCO_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $13C-15N-labelled
save_
save_3D_C(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $13C-15N-labelled
save_
save_3D_HCCH-TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $13C-15N-labelled
save_
save_3D_CCH_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CCH NOESY'
_Sample_label $13C-15N-labelled
save_
save_3D_CNH_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CNH NOESY'
_Sample_label $13C-15N-labelled
save_
save_3D_1H-15N_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $15N-labelled
save_
save_3D_1H-13C_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $13C-15N-labelled
save_
save_3D_HNHA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHA'
_Sample_label $15N-labelled
save_
save_3D_HNHB_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNHB'
_Sample_label $15N-labelled
save_
save_3D_3JHBHA(CO)NH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 3JHBHA(CO)NH'
_Sample_label $13C-15N-labelled
save_
save_3D_NNH_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D NNH NOESY'
_Sample_label $15N-labelled
save_
save_3D_HN(CA)NNH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)NNH'
_Sample_label $13C-15N-labelled
save_
save_3D_HNCA_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $13C-15N-labelled
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' 0.340 . M
pH 7.9 . 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 2.60 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . 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_
_Software_label
$TOPSPIN
$SPARKY
stop_
loop_
_Experiment_label
'3D HNCO'
'3D C(CO)NH'
'3D HCCH-TOCSY'
'3D HNHA'
'3D HNHB'
'3D 3JHBHA(CO)NH'
'3D HN(CA)NNH'
'3D HNCA'
stop_
loop_
_Sample_label
$13C-15N-labelled
$15N-labelled
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Yme1-N
_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 98 3 ALA HA H 4.27 0.02 1
2 98 3 ALA HB H 1.33 0.02 1
3 98 3 ALA CA C 52.68 0.05 1
4 98 3 ALA CB C 19.14 0.05 1
5 99 4 VAL HA H 4.09 0.02 1
6 99 4 VAL CA C 62.09 0.05 1
7 99 4 VAL CB C 32.91 0.05 1
8 99 4 VAL CG1 C 23.2 0.05 1
9 99 4 VAL CG2 C 23.2 0.05 1
10 100 5 SER HA H 4.44 0.02 1
11 100 5 SER HB2 H 4.04 0.02 1
12 100 5 SER HB3 H 4.04 0.02 1
13 100 5 SER CA C 58.22 0.05 1
14 100 5 SER CB C 63.90 0.05 1
15 101 6 HIS HA H 4.32 0.02 1
16 101 6 HIS HB2 H 3.11 0.02 1
17 101 6 HIS HB3 H 3.11 0.02 1
18 101 6 HIS HD1 H 6.92 0.02 1
19 101 6 HIS CA C 59.36 0.05 1
20 101 6 HIS CB C 30.56 0.05 1
21 101 6 HIS ND1 N 118.74 0.05 1
22 102 7 ALA HA H 4.29 0.02 1
23 102 7 ALA HB H 1.33 0.02 1
24 102 7 ALA CA C 52.27 0.05 1
25 102 7 ALA CB C 19.12 0.05 1
26 103 8 MET HA H 4.29 0.02 1
27 103 8 MET HB2 H 2.17 0.02 2
28 103 8 MET HB3 H 2.10 0.02 2
29 103 8 MET HG2 H 2.63 0.02 2
30 103 8 MET HG3 H 2.56 0.02 2
31 103 8 MET HE H 2.06 0.02 1
32 103 8 MET CA C 57.50 0.05 1
33 103 8 MET CB C 32.27 0.05 1
34 103 8 MET CG C 32.18 0.05 1
35 103 8 MET CE C 16.71 0.05 1
36 104 9 LEU HA H 3.99 0.02 1
37 104 9 LEU HB2 H 1.68 0.02 1
38 104 9 LEU HB3 H 1.79 0.02 1
39 104 9 LEU HG H 1.70 0.02 1
40 104 9 LEU HD1 H 0.87 0.02 1
41 104 9 LEU HD2 H 0.86 0.02 1
42 104 9 LEU CA C 58.66 0.05 1
43 104 9 LEU CB C 41.73 0.05 1
44 104 9 LEU CG C 27.39 0.05 1
45 104 9 LEU CD1 C 25.12 0.05 1
46 104 9 LEU CD2 C 24.32 0.05 1
47 105 10 ALA HA H 4.07 0.02 1
48 105 10 ALA HB H 1.39 0.02 1
49 105 10 ALA CA C 55.05 0.05 1
50 105 10 ALA CB C 17.86 0.05 1
51 106 11 THR HA H 3.87 0.02 1
52 106 11 THR HB H 4.18 0.02 1
53 106 11 THR HG2 H 1.15 0.02 1
54 106 11 THR C C 176.47 0.05 1
55 106 11 THR CA C 66.39 0.05 1
56 106 11 THR CB C 68.68 0.05 1
57 106 11 THR CG2 C 21.71 0.05 1
58 107 12 ARG H H 8.11 0.02 1
59 107 12 ARG HA H 4.00 0.02 1
60 107 12 ARG HB2 H 1.74 0.02 1
61 107 12 ARG HB3 H 2.08 0.02 1
62 107 12 ARG HG2 H 2.02 0.02 2
63 107 12 ARG HG3 H 1.72 0.02 2
64 107 12 ARG HD2 H 3.21 0.02 2
65 107 12 ARG HD3 H 3.02 0.02 2
66 107 12 ARG C C 178.78 0.05 1
67 107 12 ARG CA C 57.64 0.05 1
68 107 12 ARG CB C 29.31 0.05 1
69 107 12 ARG CG C 27.54 0.05 1
70 107 12 ARG CD C 42.29 0.05 1
71 107 12 ARG N N 120.11 0.05 1
72 108 13 GLU H H 8.33 0.02 1
73 108 13 GLU HA H 2.17 0.02 1
74 108 13 GLU HB2 H 1.70 0.02 1
75 108 13 GLU HB3 H 1.85 0.02 1
76 108 13 GLU HG2 H 1.83 0.02 2
77 108 13 GLU HG3 H 1.65 0.02 2
78 108 13 GLU C C 177.22 0.05 1
79 108 13 GLU CA C 59.13 0.05 1
80 108 13 GLU CB C 29.67 0.05 1
81 108 13 GLU CG C 35.80 0.05 1
82 108 13 GLU N N 124.15 0.05 1
83 109 14 GLN H H 7.67 0.02 1
84 109 14 GLN HA H 3.86 0.02 1
85 109 14 GLN HB2 H 2.14 0.02 2
86 109 14 GLN HB3 H 2.09 0.02 2
87 109 14 GLN HG2 H 2.42 0.02 2
88 109 14 GLN HG3 H 2.31 0.02 2
89 109 14 GLN C C 179.57 0.05 1
90 109 14 GLN CA C 58.84 0.05 1
91 109 14 GLN CB C 28.06 0.05 1
92 109 14 GLN CG C 33.85 0.05 1
93 109 14 GLN N N 117.75 0.05 1
94 110 15 GLU H H 7.82 0.02 1
95 110 15 GLU HA H 3.79 0.02 1
96 110 15 GLU HB2 H 1.94 0.02 2
97 110 15 GLU HB3 H 1.90 0.02 2
98 110 15 GLU HG2 H 2.38 0.02 2
99 110 15 GLU HG3 H 2.17 0.02 2
100 110 15 GLU C C 178.86 0.05 1
101 110 15 GLU CA C 59.06 0.05 1
102 110 15 GLU CB C 29.56 0.05 1
103 110 15 GLU CG C 36.33 0.05 1
104 110 15 GLU N N 118.56 0.05 1
105 111 16 ALA H H 7.74 0.02 1
106 111 16 ALA HA H 3.78 0.02 1
107 111 16 ALA HB H 1.11 0.02 1
108 111 16 ALA C C 179.25 0.05 1
109 111 16 ALA CA C 54.77 0.05 1
110 111 16 ALA CB C 16.87 0.05 1
111 111 16 ALA N N 122.87 0.05 1
112 112 17 ASN H H 7.91 0.02 1
113 112 17 ASN HA H 4.53 0.02 1
114 112 17 ASN HB2 H 2.72 0.02 1
115 112 17 ASN HB3 H 2.72 0.02 1
116 112 17 ASN HD21 H 7.57 0.02 1
117 112 17 ASN HD22 H 7.52 0.02 1
118 112 17 ASN C C 176.28 0.05 1
119 112 17 ASN CA C 53.36 0.05 1
120 112 17 ASN CB C 37.97 0.05 1
121 112 17 ASN N N 114.50 0.05 1
122 112 17 ASN ND2 N 113.39 0.05 1
123 113 18 LYS H H 7.50 0.02 1
124 113 18 LYS HA H 4.02 0.02 1
125 113 18 LYS HB2 H 1.80 0.02 1
126 113 18 LYS HB3 H 1.80 0.02 1
127 113 18 LYS HG2 H 1.51 0.02 2
128 113 18 LYS HG3 H 1.40 0.02 2
129 113 18 LYS HD2 H 1.61 0.02 1
130 113 18 LYS HD3 H 1.61 0.02 1
131 113 18 LYS HE2 H 2.88 0.02 1
132 113 18 LYS HE3 H 2.88 0.02 1
133 113 18 LYS C C 176.34 0.05 1
134 113 18 LYS CA C 58.09 0.05 1
135 113 18 LYS CB C 32.62 0.05 1
136 113 18 LYS CG C 24.96 0.05 1
137 113 18 LYS CD C 29.42 0.05 1
138 113 18 LYS CE C 41.96 0.05 1
139 113 18 LYS N N 120.59 0.05 1
140 114 19 ASP H H 6.85 0.02 1
141 114 19 ASP HA H 4.84 0.02 1
142 114 19 ASP HB2 H 2.30 0.02 1
143 114 19 ASP HB3 H 2.75 0.02 1
144 114 19 ASP C C 176.00 0.05 1
145 114 19 ASP CA C 52.60 0.05 1
146 114 19 ASP CB C 40.47 0.05 1
147 114 19 ASP N N 116.10 0.05 1
148 115 20 LEU H H 8.43 0.02 1
149 115 20 LEU HA H 4.07 0.02 1
150 115 20 LEU HB2 H 1.67 0.02 1
151 115 20 LEU HB3 H 1.72 0.02 1
152 115 20 LEU HG H 1.71 0.02 1
153 115 20 LEU HD1 H 0.85 0.02 1
154 115 20 LEU HD2 H 0.90 0.02 1
155 115 20 LEU C C 176.31 0.05 1
156 115 20 LEU CA C 57.06 0.05 1
157 115 20 LEU CB C 41.64 0.05 1
158 115 20 LEU CG C 26.93 0.05 1
159 115 20 LEU CD1 C 25.22 0.05 1
160 115 20 LEU CD2 C 23.37 0.05 1
161 115 20 LEU N N 123.86 0.05 1
162 116 21 THR H H 7.91 0.02 1
163 116 21 THR HA H 4.35 0.02 1
164 116 21 THR HB H 4.42 0.02 1
165 116 21 THR HG2 H 1.16 0.02 1
166 116 21 THR C C 174.28 0.05 1
167 116 21 THR CA C 61.72 0.05 1
168 116 21 THR CB C 69.10 0.05 1
169 116 21 THR CG2 C 21.65 0.05 1
170 116 21 THR N N 103.54 0.05 1
171 117 22 SER H H 7.23 0.02 1
172 117 22 SER HA H 5.08 0.02 1
173 117 22 SER HB2 H 3.81 0.02 1
174 117 22 SER HB3 H 4.05 0.02 1
175 117 22 SER CA C 52.97 0.05 1
176 117 22 SER CB C 63.04 0.05 1
177 117 22 SER N N 116.86 0.05 1
178 118 23 PRO HA H 4.09 0.02 1
179 118 23 PRO HB2 H 1.99 0.02 1
180 118 23 PRO HB3 H 1.99 0.02 1
181 118 23 PRO HG2 H 2.16 0.02 2
182 118 23 PRO HG3 H 2.07 0.02 2
183 118 23 PRO HD2 H 4.25 0.02 1
184 118 23 PRO HD3 H 4.11 0.02 1
185 118 23 PRO CA C 64.55 0.05 1
186 118 23 PRO CB C 31.75 0.05 1
187 118 23 PRO CG C 27.16 0.05 1
188 118 23 PRO CD C 51.43 0.05 1
189 119 24 ASP HA H 4.22 0.02 1
190 119 24 ASP HB2 H 2.59 0.02 2
191 119 24 ASP HB3 H 2.37 0.02 2
192 119 24 ASP CA C 56.94 0.05 1
193 119 24 ASP CB C 40.06 0.05 1
194 120 25 ALA HA H 4.04 0.02 1
195 120 25 ALA HB H 1.40 0.02 1
196 120 25 ALA C C 180.43 0.05 1
197 120 25 ALA CA C 54.43 0.05 1
198 120 25 ALA CB C 18.05 0.05 1
199 121 26 GLN H H 7.22 0.02 1
200 121 26 GLN HA H 3.85 0.02 1
201 121 26 GLN HB2 H 2.12 0.02 1
202 121 26 GLN HB3 H 1.92 0.02 1
203 121 26 GLN HG2 H 3.02 0.02 1
204 121 26 GLN HG3 H 2.61 0.02 1
205 121 26 GLN HE21 H 6.80 0.02 1
206 121 26 GLN HE22 H 7.55 0.02 1
207 121 26 GLN C C 176.83 0.05 1
208 121 26 GLN CA C 56.78 0.05 1
209 121 26 GLN CB C 25.60 0.05 1
210 121 26 GLN CG C 31.84 0.05 1
211 121 26 GLN N N 116.20 0.05 1
212 121 26 GLN NE2 N 117.03 0.05 1
213 122 27 ALA H H 8.43 0.02 1
214 122 27 ALA HA H 3.85 0.02 1
215 122 27 ALA HB H 1.42 0.02 1
216 122 27 ALA C C 179.17 0.05 1
217 122 27 ALA CA C 55.42 0.05 1
218 122 27 ALA CB C 18.05 0.05 1
219 122 27 ALA N N 120.30 0.05 1
220 123 28 ALA H H 7.63 0.02 1
221 123 28 ALA HA H 3.98 0.02 1
222 123 28 ALA HB H 1.37 0.02 1
223 123 28 ALA C C 180.41 0.05 1
224 123 28 ALA CA C 54.97 0.05 1
225 123 28 ALA CB C 18.03 0.05 1
226 123 28 ALA N N 117.59 0.05 1
227 124 29 PHE H H 7.10 0.02 1
228 124 29 PHE HA H 4.63 0.02 1
229 124 29 PHE HB2 H 3.05 0.02 1
230 124 29 PHE HB3 H 3.05 0.02 1
231 124 29 PHE HD1 H 6.94 0.02 1
232 124 29 PHE HD2 H 6.94 0.02 1
233 124 29 PHE HE1 H 7.24 0.02 1
234 124 29 PHE HE2 H 7.24 0.02 1
235 124 29 PHE HZ H 7.27 0.02 1
236 124 29 PHE C C 176.90 0.05 1
237 124 29 PHE CA C 57.84 0.05 1
238 124 29 PHE CB C 38.72 0.05 1
239 124 29 PHE CD1 C 130.07 0.05 1
240 124 29 PHE CD2 C 130.07 0.05 1
241 124 29 PHE CE1 C 130.98 0.05 1
242 124 29 PHE CE2 C 130.98 0.05 1
243 124 29 PHE CZ C 131.35 0.05 1
244 124 29 PHE N N 118.51 0.05 1
245 125 30 TYR H H 9.03 0.02 1
246 125 30 TYR HA H 4.25 0.02 1
247 125 30 TYR HB2 H 3.42 0.02 1
248 125 30 TYR HB3 H 2.95 0.02 1
249 125 30 TYR HD1 H 6.81 0.02 1
250 125 30 TYR HD2 H 6.81 0.02 1
251 125 30 TYR HE1 H 6.89 0.02 1
252 125 30 TYR HE2 H 6.89 0.02 1
253 125 30 TYR C C 178.37 0.05 1
254 125 30 TYR CA C 57.92 0.05 1
255 125 30 TYR CB C 37.58 0.05 1
256 125 30 TYR CD1 C 132.77 0.05 1
257 125 30 TYR CD2 C 132.77 0.05 1
258 125 30 TYR CE1 C 117.57 0.05 1
259 125 30 TYR CE2 C 117.57 0.05 1
260 125 30 TYR N N 118.67 0.05 1
261 126 31 LYS H H 8.63 0.02 1
262 126 31 LYS HA H 3.87 0.02 1
263 126 31 LYS HB2 H 1.80 0.02 1
264 126 31 LYS HB3 H 1.86 0.02 1
265 126 31 LYS HG2 H 1.67 0.02 2
266 126 31 LYS HG3 H 1.44 0.02 2
267 126 31 LYS HD2 H 1.66 0.02 2
268 126 31 LYS HD3 H 1.61 0.02 2
269 126 31 LYS HE2 H 2.87 0.02 2
270 126 31 LYS HE3 H 2.75 0.02 2
271 126 31 LYS C C 179.03 0.05 1
272 126 31 LYS CA C 60.56 0.05 1
273 126 31 LYS CB C 32.77 0.05 1
274 126 31 LYS CG C 26.57 0.05 1
275 126 31 LYS CD C 29.70 0.05 1
276 126 31 LYS CE C 42.32 0.05 1
277 126 31 LYS N N 117.05 0.05 1
278 127 32 LEU H H 7.05 0.02 1
279 127 32 LEU HA H 4.23 0.02 1
280 127 32 LEU HB2 H 1.77 0.02 1
281 127 32 LEU HB3 H 1.77 0.02 1
282 127 32 LEU HG H 1.71 0.02 1
283 127 32 LEU HD1 H 0.87 0.02 1
284 127 32 LEU HD2 H 0.93 0.02 1
285 127 32 LEU C C 180.09 0.05 1
286 127 32 LEU CA C 57.19 0.05 1
287 127 32 LEU CB C 41.89 0.05 1
288 127 32 LEU CG C 27.17 0.05 1
289 127 32 LEU CD1 C 24.71 0.05 1
290 127 32 LEU CD2 C 24.61 0.05 1
291 127 32 LEU N N 119.51 0.05 1
292 128 33 LEU H H 8.53 0.02 1
293 128 33 LEU HA H 3.84 0.02 1
294 128 33 LEU HB2 H 1.91 0.02 1
295 128 33 LEU HB3 H 1.26 0.02 1
296 128 33 LEU HG H 0.97 0.02 1
297 128 33 LEU HD1 H 0.06 0.02 1
298 128 33 LEU HD2 H 0.79 0.02 1
299 128 33 LEU C C 179.90 0.05 1
300 128 33 LEU CA C 58.34 0.05 1
301 128 33 LEU CB C 41.98 0.05 1
302 128 33 LEU CG C 26.77 0.05 1
303 128 33 LEU CD1 C 24.97 0.05 1
304 128 33 LEU CD2 C 23.27 0.05 1
305 128 33 LEU N N 122.84 0.05 1
306 129 34 LEU H H 8.30 0.02 1
307 129 34 LEU HA H 3.82 0.02 1
308 129 34 LEU HB2 H 1.92 0.02 1
309 129 34 LEU HB3 H 1.43 0.02 1
310 129 34 LEU HG H 1.73 0.02 1
311 129 34 LEU HD1 H 0.91 0.02 1
312 129 34 LEU HD2 H 0.68 0.02 1
313 129 34 LEU C C 180.68 0.05 1
314 129 34 LEU CA C 58.37 0.05 1
315 129 34 LEU CB C 40.87 0.05 1
316 129 34 LEU CG C 27.68 0.05 1
317 129 34 LEU CD1 C 26.10 0.05 1
318 129 34 LEU CD2 C 22.61 0.05 1
319 129 34 LEU N N 119.21 0.05 1
320 130 35 GLN H H 8.04 0.02 1
321 130 35 GLN HA H 4.04 0.02 1
322 130 35 GLN HB2 H 2.15 0.02 1
323 130 35 GLN HB3 H 2.15 0.02 1
324 130 35 GLN HG2 H 2.41 0.02 1
325 130 35 GLN HG3 H 2.41 0.02 1
326 130 35 GLN C C 177.16 0.05 1
327 130 35 GLN CA C 58.58 0.05 1
328 130 35 GLN CB C 28.87 0.05 1
329 130 35 GLN CG C 34.02 0.05 1
330 130 35 GLN N N 121.11 0.05 1
331 131 36 SER H H 7.55 0.02 1
332 131 36 SER HA H 4.37 0.02 1
333 131 36 SER HB2 H 3.89 0.02 1
334 131 36 SER HB3 H 3.99 0.02 1
335 131 36 SER C C 171.79 0.05 1
336 131 36 SER CA C 58.07 0.05 1
337 131 36 SER CB C 63.83 0.05 1
338 131 36 SER N N 112.19 0.05 1
339 132 37 ASN H H 7.64 0.02 1
340 132 37 ASN HA H 4.18 0.02 1
341 132 37 ASN HB2 H 2.97 0.02 2
342 132 37 ASN HB3 H 2.63 0.02 2
343 132 37 ASN C C 173.08 0.05 1
344 132 37 ASN CA C 53.93 0.05 1
345 132 37 ASN CB C 36.33 0.05 1
346 132 37 ASN N N 112.66 0.05 1
347 133 38 TYR H H 8.30 0.02 1
348 133 38 TYR HA H 5.18 0.02 1
349 133 38 TYR HB2 H 2.58 0.02 1
350 133 38 TYR HB3 H 3.08 0.02 1
351 133 38 TYR HD1 H 6.81 0.02 1
352 133 38 TYR HD2 H 6.81 0.02 1
353 133 38 TYR HE1 H 6.71 0.02 1
354 133 38 TYR HE2 H 6.71 0.02 1
355 133 38 TYR CA C 54.80 0.05 1
356 133 38 TYR CB C 38.99 0.05 1
357 133 38 TYR CD1 C 132.78 0.05 1
358 133 38 TYR CD2 C 132.78 0.05 1
359 133 38 TYR CE1 C 118.03 0.05 1
360 133 38 TYR CE2 C 118.03 0.05 1
361 133 38 TYR N N 114.58 0.05 1
362 134 39 PRO HA H 4.02 0.02 1
363 134 39 PRO HB2 H 2.15 0.02 2
364 134 39 PRO HB3 H 1.82 0.02 2
365 134 39 PRO HG2 H 1.91 0.02 2
366 134 39 PRO HG3 H 1.88 0.02 2
367 134 39 PRO HD2 H 3.78 0.02 1
368 134 39 PRO HD3 H 3.16 0.02 1
369 134 39 PRO CA C 65.56 0.05 1
370 134 39 PRO CB C 31.81 0.05 1
371 134 39 PRO CG C 27.65 0.05 1
372 134 39 PRO CD C 50.05 0.05 1
373 135 40 GLN HA H 3.86 0.02 1
374 135 40 GLN HB2 H 1.99 0.02 1
375 135 40 GLN HB3 H 1.99 0.02 1
376 135 40 GLN HG2 H 2.32 0.02 2
377 135 40 GLN HG3 H 2.01 0.02 2
378 135 40 GLN C C 177.59 0.05 1
379 135 40 GLN CA C 58.74 0.05 1
380 135 40 GLN CB C 26.86 0.05 1
381 135 40 GLN CG C 32.80 0.05 1
382 136 41 TYR H H 7.19 0.02 1
383 136 41 TYR HA H 4.74 0.02 1
384 136 41 TYR HB2 H 2.98 0.02 1
385 136 41 TYR HB3 H 3.10 0.02 1
386 136 41 TYR HD1 H 6.89 0.02 1
387 136 41 TYR HD2 H 6.89 0.02 1
388 136 41 TYR HE1 H 6.57 0.02 1
389 136 41 TYR HE2 H 6.57 0.02 1
390 136 41 TYR C C 178.36 0.05 1
391 136 41 TYR CA C 57.80 0.05 1
392 136 41 TYR CB C 37.61 0.05 1
393 136 41 TYR CD1 C 131.57 0.05 1
394 136 41 TYR CD2 C 131.57 0.05 1
395 136 41 TYR CE1 C 118.69 0.05 1
396 136 41 TYR CE2 C 118.69 0.05 1
397 136 41 TYR N N 119.77 0.05 1
398 137 42 VAL H H 7.09 0.02 1
399 137 42 VAL HA H 3.38 0.02 1
400 137 42 VAL HB H 2.19 0.02 1
401 137 42 VAL HG1 H 0.25 0.02 1
402 137 42 VAL HG2 H 0.96 0.02 1
403 137 42 VAL C C 176.30 0.05 1
404 137 42 VAL CA C 65.84 0.05 1
405 137 42 VAL CB C 31.21 0.05 1
406 137 42 VAL CG1 C 19.24 0.05 1
407 137 42 VAL CG2 C 23.73 0.05 1
408 137 42 VAL N N 120.15 0.05 1
409 138 43 VAL H H 7.04 0.02 1
410 138 43 VAL HA H 3.55 0.02 1
411 138 43 VAL HB H 1.99 0.02 1
412 138 43 VAL HG1 H 0.93 0.02 1
413 138 43 VAL HG2 H 0.79 0.02 1
414 138 43 VAL C C 176.59 0.05 1
415 138 43 VAL CA C 66.89 0.05 1
416 138 43 VAL CB C 32.06 0.05 1
417 138 43 VAL CG1 C 20.98 0.05 1
418 138 43 VAL CG2 C 22.62 0.05 1
419 138 43 VAL N N 116.79 0.05 1
420 139 44 SER H H 7.81 0.02 1
421 139 44 SER HA H 4.12 0.02 1
422 139 44 SER HB2 H 3.86 0.02 1
423 139 44 SER HB3 H 3.86 0.02 1
424 139 44 SER C C 177.27 0.05 1
425 139 44 SER CA C 61.08 0.05 1
426 139 44 SER CB C 62.60 0.05 1
427 139 44 SER N N 110.51 0.05 1
428 140 45 ARG H H 7.68 0.02 1
429 140 45 ARG HA H 4.06 0.02 1
430 140 45 ARG HB2 H 2.10 0.02 1
431 140 45 ARG HB3 H 2.07 0.02 1
432 140 45 ARG HG2 H 2.03 0.02 2
433 140 45 ARG HG3 H 1.76 0.02 2
434 140 45 ARG HD2 H 3.61 0.02 2
435 140 45 ARG HD3 H 3.37 0.02 2
436 140 45 ARG C C 177.25 0.05 1
437 140 45 ARG CA C 60.20 0.05 1
438 140 45 ARG CB C 30.13 0.05 1
439 140 45 ARG CG C 29.80 0.05 1
440 140 45 ARG CD C 43.55 0.05 1
441 140 45 ARG N N 122.49 0.05 1
442 141 46 PHE H H 8.73 0.02 1
443 141 46 PHE HA H 3.86 0.02 1
444 141 46 PHE HB2 H 2.59 0.02 1
445 141 46 PHE HB3 H 2.59 0.02 1
446 141 46 PHE HD1 H 6.22 0.02 1
447 141 46 PHE HD2 H 6.22 0.02 1
448 141 46 PHE HE1 H 6.72 0.02 1
449 141 46 PHE HE2 H 6.72 0.02 1
450 141 46 PHE HZ H 6.89 0.02 1
451 141 46 PHE C C 177.66 0.05 1
452 141 46 PHE CA C 61.64 0.05 1
453 141 46 PHE CB C 40.07 0.05 1
454 141 46 PHE CD1 C 131.63 0.05 1
455 141 46 PHE CD2 C 131.63 0.05 1
456 141 46 PHE CE1 C 130.11 0.05 1
457 141 46 PHE CE2 C 130.11 0.05 1
458 141 46 PHE CZ C 131.57 0.05 1
459 141 46 PHE N N 119.58 0.05 1
460 142 47 GLU H H 7.39 0.02 1
461 142 47 GLU HA H 3.95 0.02 1
462 142 47 GLU HB2 H 1.89 0.02 1
463 142 47 GLU HB3 H 2.28 0.02 1
464 142 47 GLU HG2 H 2.95 0.02 2
465 142 47 GLU HG3 H 2.34 0.02 2
466 142 47 GLU C C 176.44 0.05 1
467 142 47 GLU CA C 56.15 0.05 1
468 142 47 GLU CB C 29.52 0.05 1
469 142 47 GLU CG C 36.33 0.05 1
470 142 47 GLU N N 112.17 0.05 1
471 143 48 THR H H 7.84 0.02 1
472 143 48 THR HA H 4.34 0.02 1
473 143 48 THR HB H 4.53 0.02 1
474 143 48 THR HG1 H 5.32 0.02 1
475 143 48 THR HG2 H 1.21 0.02 1
476 143 48 THR CA C 61.90 0.05 1
477 143 48 THR CB C 69.70 0.05 1
478 143 48 THR CG2 C 19.11 0.05 1
479 143 48 THR N N 121.89 0.05 1
480 144 49 PRO HA H 4.17 0.02 1
481 144 49 PRO HB2 H 2.23 0.02 2
482 144 49 PRO HB3 H 1.79 0.02 2
483 144 49 PRO HG2 H 2.06 0.02 2
484 144 49 PRO HG3 H 1.92 0.02 2
485 144 49 PRO HD2 H 3.66 0.02 1
486 144 49 PRO HD3 H 4.12 0.02 1
487 144 49 PRO CA C 63.51 0.05 1
488 144 49 PRO CB C 31.81 0.05 1
489 144 49 PRO CG C 27.74 0.05 1
490 144 49 PRO CD C 51.29 0.05 1
491 145 50 GLY HA2 H 4.07 0.02 2
492 145 50 GLY HA3 H 3.44 0.02 2
493 145 50 GLY C C 173.78 0.05 1
494 145 50 GLY CA C 44.87 0.05 1
495 146 51 ILE H H 7.00 0.02 1
496 146 51 ILE HA H 4.03 0.02 1
497 146 51 ILE HB H 1.84 0.02 1
498 146 51 ILE HG12 H 1.51 0.02 2
499 146 51 ILE HG13 H 1.06 0.02 2
500 146 51 ILE HG2 H 0.85 0.02 1
501 146 51 ILE HD1 H 0.76 0.02 1
502 146 51 ILE C C 176.38 0.05 1
503 146 51 ILE CA C 60.98 0.05 1
504 146 51 ILE CB C 36.22 0.05 1
505 146 51 ILE CG1 C 27.59 0.05 1
506 146 51 ILE CG2 C 16.92 0.05 1
507 146 51 ILE CD1 C 11.69 0.05 1
508 146 51 ILE N N 120.79 0.05 1
509 147 52 ALA H H 8.11 0.02 1
510 147 52 ALA HA H 4.03 0.02 1
511 147 52 ALA HB H 1.20 0.02 1
512 147 52 ALA C C 175.47 0.05 1
513 147 52 ALA CA C 53.42 0.05 1
514 147 52 ALA CB C 20.47 0.05 1
515 147 52 ALA N N 132.19 0.05 1
516 148 53 SER H H 8.15 0.02 1
517 148 53 SER HA H 4.94 0.02 1
518 148 53 SER HB2 H 3.62 0.02 1
519 148 53 SER HB3 H 3.58 0.02 1
520 148 53 SER C C 172.19 0.05 1
521 148 53 SER CA C 55.48 0.05 1
522 148 53 SER CB C 65.36 0.05 1
523 148 53 SER N N 111.10 0.05 1
524 149 54 SER H H 7.84 0.02 1
525 149 54 SER HA H 4.95 0.02 1
526 149 54 SER HB2 H 4.37 0.02 1
527 149 54 SER HB3 H 4.03 0.02 1
528 149 54 SER CA C 56.01 0.05 1
529 149 54 SER CB C 62.72 0.05 1
530 149 54 SER N N 113.18 0.05 1
531 150 55 PRO HA H 4.29 0.02 1
532 150 55 PRO HB2 H 2.24 0.02 2
533 150 55 PRO HB3 H 1.92 0.02 2
534 150 55 PRO HG2 H 2.13 0.02 2
535 150 55 PRO HG3 H 1.76 0.02 2
536 150 55 PRO HD2 H 3.90 0.02 1
537 150 55 PRO HD3 H 3.81 0.02 1
538 150 55 PRO CA C 66.49 0.05 1
539 150 55 PRO CB C 31.44 0.05 1
540 150 55 PRO CG C 28.19 0.05 1
541 150 55 PRO CD C 50.39 0.05 1
542 151 56 GLU HA H 4.09 0.02 1
543 151 56 GLU HB2 H 2.04 0.02 2
544 151 56 GLU HB3 H 1.84 0.02 2
545 151 56 GLU HG2 H 2.31 0.02 2
546 151 56 GLU HG3 H 2.21 0.02 2
547 151 56 GLU C C 179.37 0.05 1
548 151 56 GLU CA C 59.68 0.05 1
549 151 56 GLU CB C 29.89 0.05 1
550 151 56 GLU CG C 36.42 0.05 1
551 152 57 CYS H H 7.71 0.02 1
552 152 57 CYS HA H 4.24 0.02 1
553 152 57 CYS HB2 H 3.56 0.02 1
554 152 57 CYS HB3 H 3.37 0.02 1
555 152 57 CYS C C 176.56 0.05 1
556 152 57 CYS CA C 65.17 0.05 1
557 152 57 CYS CB C 28.36 0.05 1
558 152 57 CYS N N 116.52 0.05 1
559 153 58 MET H H 8.49 0.02 1
560 153 58 MET HA H 3.88 0.02 1
561 153 58 MET HB2 H 2.41 0.02 1
562 153 58 MET HB3 H 2.08 0.02 1
563 153 58 MET HG2 H 2.70 0.02 2
564 153 58 MET HG3 H 2.62 0.02 2
565 153 58 MET HE H 2.09 0.02 1
566 153 58 MET C C 177.38 0.05 1
567 153 58 MET CA C 59.50 0.05 1
568 153 58 MET CB C 32.78 0.05 1
569 153 58 MET CG C 33.01 0.05 1
570 153 58 MET CE C 17.09 0.05 1
571 153 58 MET N N 118.16 0.05 1
572 154 59 GLU H H 8.15 0.02 1
573 154 59 GLU HA H 3.86 0.02 1
574 154 59 GLU HB2 H 2.22 0.02 2
575 154 59 GLU HB3 H 2.06 0.02 2
576 154 59 GLU HG2 H 2.41 0.02 2
577 154 59 GLU HG3 H 2.30 0.02 2
578 154 59 GLU C C 179.26 0.05 1
579 154 59 GLU CA C 59.88 0.05 1
580 154 59 GLU CB C 29.78 0.05 1
581 154 59 GLU CG C 36.76 0.05 1
582 154 59 GLU N N 119.66 0.05 1
583 155 60 LEU H H 7.58 0.02 1
584 155 60 LEU HA H 4.05 0.02 1
585 155 60 LEU HB2 H 2.02 0.02 1
586 155 60 LEU HB3 H 1.23 0.02 1
587 155 60 LEU HG H 2.01 0.02 1
588 155 60 LEU HD1 H 1.16 0.02 1
589 155 60 LEU HD2 H 0.85 0.02 1
590 155 60 LEU C C 177.76 0.05 1
591 155 60 LEU CA C 57.79 0.05 1
592 155 60 LEU CB C 41.38 0.05 1
593 155 60 LEU CG C 27.31 0.05 1
594 155 60 LEU CD1 C 28.73 0.05 1
595 155 60 LEU CD2 C 23.69 0.05 1
596 155 60 LEU N N 121.91 0.05 1
597 156 61 TYR H H 8.13 0.02 1
598 156 61 TYR HA H 3.71 0.02 1
599 156 61 TYR HB2 H 1.89 0.02 1
600 156 61 TYR HB3 H 2.31 0.02 1
601 156 61 TYR HD1 H 6.21 0.02 1
602 156 61 TYR HD2 H 6.21 0.02 1
603 156 61 TYR HE1 H 6.55 0.02 1
604 156 61 TYR HE2 H 6.55 0.02 1
605 156 61 TYR C C 176.13 0.05 1
606 156 61 TYR CA C 59.65 0.05 1
607 156 61 TYR CB C 38.37 0.05 1
608 156 61 TYR CD1 C 132.42 0.05 1
609 156 61 TYR CD2 C 132.42 0.05 1
610 156 61 TYR CE1 C 117.66 0.05 1
611 156 61 TYR CE2 C 117.66 0.05 1
612 156 61 TYR N N 121.32 0.05 1
613 157 62 MET H H 8.32 0.02 1
614 157 62 MET HA H 3.43 0.02 1
615 157 62 MET HB2 H 2.20 0.02 1
616 157 62 MET HB3 H 2.09 0.02 1
617 157 62 MET HG2 H 2.57 0.02 2
618 157 62 MET HG3 H 2.24 0.02 2
619 157 62 MET HE H 1.99 0.02 1
620 157 62 MET C C 177.56 0.05 1
621 157 62 MET CA C 59.59 0.05 1
622 157 62 MET CB C 32.83 0.05 1
623 157 62 MET CG C 31.41 0.05 1
624 157 62 MET CE C 16.75 0.05 1
625 157 62 MET N N 117.77 0.05 1
626 158 63 GLU H H 7.56 0.02 1
627 158 63 GLU HA H 3.93 0.02 1
628 158 63 GLU HB2 H 2.11 0.02 1
629 158 63 GLU HB3 H 2.02 0.02 1
630 158 63 GLU HG2 H 2.16 0.02 1
631 158 63 GLU HG3 H 2.16 0.02 1
632 158 63 GLU C C 178.31 0.05 1
633 158 63 GLU CA C 58.88 0.05 1
634 158 63 GLU CB C 28.66 0.05 1
635 158 63 GLU CG C 35.80 0.05 1
636 158 63 GLU N N 119.23 0.05 1
637 159 64 ALA H H 8.10 0.02 1
638 159 64 ALA HA H 3.62 0.02 1
639 159 64 ALA HB H 1.44 0.02 1
640 159 64 ALA C C 178.62 0.05 1
641 159 64 ALA CA C 55.60 0.05 1
642 159 64 ALA CB C 19.13 0.05 1
643 159 64 ALA N N 122.05 0.05 1
644 160 65 LEU H H 8.23 0.02 1
645 160 65 LEU HA H 3.49 0.02 1
646 160 65 LEU HB2 H 1.61 0.02 1
647 160 65 LEU HB3 H 1.08 0.02 1
648 160 65 LEU HG H 0.79 0.02 1
649 160 65 LEU HD1 H -0.09 0.02 1
650 160 65 LEU HD2 H 0.45 0.02 1
651 160 65 LEU C C 179.58 0.05 1
652 160 65 LEU CA C 57.34 0.05 1
653 160 65 LEU CB C 42.07 0.05 1
654 160 65 LEU CG C 25.66 0.05 1
655 160 65 LEU CD1 C 25.29 0.05 1
656 160 65 LEU CD2 C 22.61 0.05 1
657 160 65 LEU N N 116.48 0.05 1
658 161 66 GLN H H 7.70 0.02 1
659 161 66 GLN HA H 3.37 0.02 1
660 161 66 GLN HB2 H 2.17 0.02 1
661 161 66 GLN HB3 H 1.97 0.02 1
662 161 66 GLN HG2 H 2.41 0.02 2
663 161 66 GLN HG3 H 2.18 0.02 2
664 161 66 GLN HE21 H 7.51 0.02 1
665 161 66 GLN HE22 H 6.77 0.02 1
666 161 66 GLN C C 179.56 0.05 1
667 161 66 GLN CA C 59.16 0.05 1
668 161 66 GLN CB C 28.17 0.05 1
669 161 66 GLN CG C 34.14 0.05 1
670 161 66 GLN N N 117.81 0.05 1
671 161 66 GLN NE2 N 113.06 0.05 1
672 162 67 ARG H H 8.04 0.02 1
673 162 67 ARG HA H 3.99 0.02 1
674 162 67 ARG HB2 H 1.82 0.02 1
675 162 67 ARG HB3 H 1.86 0.02 1
676 162 67 ARG HG2 H 1.98 0.02 2
677 162 67 ARG HG3 H 1.69 0.02 2
678 162 67 ARG HD2 H 3.13 0.02 2
679 162 67 ARG HD3 H 2.92 0.02 2
680 162 67 ARG C C 178.47 0.05 1
681 162 67 ARG CA C 59.02 0.05 1
682 162 67 ARG CB C 30.43 0.05 1
683 162 67 ARG CG C 27.61 0.05 1
684 162 67 ARG CD C 44.00 0.05 1
685 162 67 ARG N N 118.56 0.05 1
686 163 68 ILE H H 7.36 0.02 1
687 163 68 ILE HA H 4.43 0.02 1
688 163 68 ILE HB H 2.11 0.02 1
689 163 68 ILE HG12 H 1.46 0.02 2
690 163 68 ILE HG13 H 1.17 0.02 2
691 163 68 ILE HG2 H 0.74 0.02 1
692 163 68 ILE HD1 H 0.73 0.02 1
693 163 68 ILE CA C 61.11 0.05 1
694 163 68 ILE CB C 37.59 0.05 1
695 163 68 ILE CG1 C 26.02 0.05 1
696 163 68 ILE CG2 C 17.16 0.05 1
697 163 68 ILE CD1 C 15.08 0.05 1
698 163 68 ILE N N 111.02 0.05 1
699 164 69 GLY HA2 H 3.46 0.02 1
700 164 69 GLY HA3 H 4.09 0.02 1
701 164 69 GLY C C 174.84 0.05 1
702 164 69 GLY CA C 45.65 0.05 1
703 165 70 ARG H H 8.03 0.02 1
704 165 70 ARG HA H 4.50 0.02 1
705 165 70 ARG HB2 H 1.27 0.02 1
706 165 70 ARG HB3 H 1.97 0.02 1
707 165 70 ARG HG2 H 1.48 0.02 2
708 165 70 ARG HG3 H 1.44 0.02 2
709 165 70 ARG HD2 H 3.09 0.02 1
710 165 70 ARG HD3 H 2.85 0.02 1
711 165 70 ARG CA C 54.74 0.05 1
712 165 70 ARG CB C 28.93 0.05 1
713 165 70 ARG CG C 26.57 0.05 1
714 165 70 ARG CD C 43.95 0.05 1
715 165 70 ARG N N 124.06 0.05 1
716 166 71 HIS HA H 4.31 0.02 1
717 166 71 HIS HB2 H 3.04 0.02 2
718 166 71 HIS HB3 H 2.88 0.02 2
719 166 71 HIS CA C 57.77 0.05 1
720 166 71 HIS CB C 31.68 0.05 1
721 167 72 SER HA H 4.24 0.02 1
722 167 72 SER HB2 H 3.85 0.02 1
723 167 72 SER HB3 H 3.85 0.02 1
724 167 72 SER CA C 61.26 0.05 1
725 167 72 SER CB C 62.22 0.05 1
726 168 73 GLU HA H 3.99 0.02 1
727 168 73 GLU HB2 H 2.02 0.02 2
728 168 73 GLU HB3 H 1.90 0.02 2
729 168 73 GLU HG2 H 2.24 0.02 2
730 168 73 GLU HG3 H 2.21 0.02 2
731 168 73 GLU CA C 59.60 0.05 1
732 168 73 GLU CB C 29.84 0.05 1
733 168 73 GLU CG C 37.64 0.05 1
734 169 74 ALA H H 7.63 0.02 1
735 169 74 ALA HA H 3.75 0.02 1
736 169 74 ALA HB H 1.37 0.02 1
737 169 74 ALA C C 178.85 0.05 1
738 169 74 ALA CA C 55.08 0.05 1
739 169 74 ALA CB C 18.43 0.05 1
740 170 75 ASP H H 8.13 0.02 1
741 170 75 ASP HA H 4.36 0.02 1
742 170 75 ASP HB2 H 2.72 0.02 2
743 170 75 ASP HB3 H 2.61 0.02 2
744 170 75 ASP C C 177.86 0.05 1
745 170 75 ASP CA C 56.72 0.05 1
746 170 75 ASP CB C 40.63 0.05 1
747 170 75 ASP N N 118.20 0.05 1
748 171 76 ALA H H 7.52 0.02 1
749 171 76 ALA HA H 4.09 0.02 1
750 171 76 ALA HB H 1.44 0.02 1
751 171 76 ALA C C 180.20 0.05 1
752 171 76 ALA CA C 54.63 0.05 1
753 171 76 ALA CB C 17.96 0.05 1
754 171 76 ALA N N 122.45 0.05 1
755 172 77 VAL H H 7.62 0.02 1
756 172 77 VAL HA H 3.71 0.02 1
757 172 77 VAL HB H 2.04 0.02 1
758 172 77 VAL HG1 H 0.97 0.02 1
759 172 77 VAL HG2 H 0.97 0.02 1
760 172 77 VAL CA C 65.79 0.05 1
761 172 77 VAL CB C 31.48 0.05 1
762 172 77 VAL CG1 C 22.42 0.05 1
763 172 77 VAL CG2 C 22.42 0.05 1
764 172 77 VAL N N 119.58 0.05 1
765 173 78 ARG H H 8.09 0.02 1
766 173 78 ARG HA H 3.80 0.02 1
767 173 78 ARG HB2 H 2.02 0.02 1
768 173 78 ARG HB3 H 2.02 0.02 1
769 173 78 ARG HG2 H 1.55 0.02 1
770 173 78 ARG HG3 H 1.55 0.02 1
771 173 78 ARG HD2 H 3.16 0.02 1
772 173 78 ARG HD3 H 3.16 0.02 1
773 173 78 ARG CA C 59.37 0.05 1
774 173 78 ARG CB C 29.73 0.05 1
775 173 78 ARG CG C 27.27 0.05 1
776 173 78 ARG CD C 42.96 0.05 1
777 174 79 GLN HA H 4.04 0.02 1
778 174 79 GLN HB2 H 2.06 0.02 1
779 174 79 GLN HB3 H 2.06 0.02 1
780 174 79 GLN HG2 H 2.41 0.02 2
781 174 79 GLN HG3 H 2.32 0.02 2
782 174 79 GLN CA C 58.12 0.05 1
783 174 79 GLN CB C 28.84 0.05 1
784 174 79 GLN CG C 33.91 0.05 1
785 175 80 ASN HA H 4.61 0.02 1
786 175 80 ASN HB2 H 2.88 0.02 1
787 175 80 ASN HB3 H 2.88 0.02 1
788 175 80 ASN CA C 54.86 0.05 1
789 175 80 ASN CB C 38.81 0.05 1
790 176 81 LEU HA H 4.14 0.02 1
791 176 81 LEU HB2 H 1.81 0.02 1
792 176 81 LEU HB3 H 1.54 0.02 1
793 176 81 LEU HG H 1.71 0.02 1
794 176 81 LEU HD1 H 0.84 0.02 1
795 176 81 LEU HD2 H 0.89 0.02 1
796 176 81 LEU CA C 56.68 0.05 1
797 176 81 LEU CB C 42.41 0.05 1
798 176 81 LEU CG C 27.12 0.05 1
799 176 81 LEU CD1 C 25.67 0.05 1
800 176 81 LEU CD2 C 23.76 0.05 1
stop_
save_