data_36181
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of peptidyl-prolyl cis/trans isomerase domain of Trigger Factor in complex with MBP
;
_BMRB_accession_number 36181
_BMRB_flat_file_name bmr36181.str
_Entry_type original
_Submission_date 2018-04-21
_Accession_date 2018-06-13
_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 Kawagoe S. . .
2 Nakagawa H. . .
3 Kumeta H. . .
4 Ishimori K. . .
5 Saio T. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 641
"13C chemical shifts" 391
"15N chemical shifts" 119
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-03-06 update BMRB 'update entry citation'
2018-09-04 original author 'original release'
stop_
_Original_release_date 2018-06-13
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural insight into proline cis/trans isomerization of unfolded proteins catalyzed by the Trigger Factor chaperone
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 30093407
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kawagoe Soichiro . .
2 Nakagawa Hiroshi . .
3 Kumeta Hiroyuki . .
4 Ishimori Koichiro . .
5 Saio Tomohide . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_name_full 'The Journal of biological chemistry'
_Journal_volume 293
_Journal_issue 39
_Journal_ISSN 1083-351X
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 15095
_Page_last 15106
_Year 2018
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Maltose-binding periplasmic protein,Trigger factor (E.C.5.2.1.8)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
stop_
_System_molecular_weight .
_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 'Maltose-binding periplasmic protein,Trigger factor'
_Molecular_mass 15134.620
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 142
_Mol_residue_sequence
;
GIAEAAFNKGETAMTINGPW
AWSNIDTSKVGSGSGSGSGS
QATWKEKDGAVEAEDRVTID
FTGSVDGEEFEGGKASDFVL
AMGQGRMIPGFEDGIKGHKA
GEEFTIDVTFPEEYHAENLK
GKAAKFAINLKKVEERELPE
LT
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 108 GLY 2 109 ILE 3 110 ALA 4 111 GLU 5 112 ALA
6 113 ALA 7 114 PHE 8 115 ASN 9 116 LYS 10 117 GLY
11 118 GLU 12 119 THR 13 120 ALA 14 121 MET 15 122 THR
16 123 ILE 17 124 ASN 18 125 GLY 19 126 PRO 20 127 TRP
21 128 ALA 22 129 TRP 23 130 SER 24 131 ASN 25 132 ILE
26 133 ASP 27 134 THR 28 135 SER 29 136 LYS 30 137 VAL
31 138 GLY 32 139 SER 33 140 GLY 34 141 SER 35 142 GLY
36 143 SER 37 144 GLY 38 145 SER 39 146 GLY 40 147 SER
41 148 GLN 42 149 ALA 43 150 THR 44 151 TRP 45 152 LYS
46 153 GLU 47 154 LYS 48 155 ASP 49 156 GLY 50 157 ALA
51 158 VAL 52 159 GLU 53 160 ALA 54 161 GLU 55 162 ASP
56 163 ARG 57 164 VAL 58 165 THR 59 166 ILE 60 167 ASP
61 168 PHE 62 169 THR 63 170 GLY 64 171 SER 65 172 VAL
66 173 ASP 67 174 GLY 68 175 GLU 69 176 GLU 70 177 PHE
71 178 GLU 72 179 GLY 73 180 GLY 74 181 LYS 75 182 ALA
76 183 SER 77 184 ASP 78 185 PHE 79 186 VAL 80 187 LEU
81 188 ALA 82 189 MET 83 190 GLY 84 191 GLN 85 192 GLY
86 193 ARG 87 194 MET 88 195 ILE 89 196 PRO 90 197 GLY
91 198 PHE 92 199 GLU 93 200 ASP 94 201 GLY 95 202 ILE
96 203 LYS 97 204 GLY 98 205 HIS 99 206 LYS 100 207 ALA
101 208 GLY 102 209 GLU 103 210 GLU 104 211 PHE 105 212 THR
106 213 ILE 107 214 ASP 108 215 VAL 109 216 THR 110 217 PHE
111 218 PRO 112 219 GLU 113 220 GLU 114 221 TYR 115 222 HIS
116 223 ALA 117 224 GLU 118 225 ASN 119 226 LEU 120 227 LYS
121 228 GLY 122 229 LYS 123 230 ALA 124 231 ALA 125 232 LYS
126 233 PHE 127 234 ALA 128 235 ILE 129 236 ASN 130 237 LEU
131 238 LYS 132 239 LYS 133 240 VAL 134 241 GLU 135 242 GLU
136 243 ARG 137 244 GLU 138 245 LEU 139 246 PRO 140 247 GLU
141 248 LEU 142 249 THR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Gene_mnemonic
$entity_1 'Escherichia coli K-12' 83333 Bacteria . Escherichia coli K12 'malE, b4034, JW3994'
$entity_1 'Escherichia coli K-12' 595496 Bacteria . Escherichia coli K12 'tig, BWG_0318'
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 . .
$entity_1 'recombinant technology' . Escherichia coli . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '1 mM [U-99% 13C; U-99% 15N] MBP238-266-PPD fusion, 90% H2O/10% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1 mM '[U-99% 13C; U-99% 15N]'
KPi 20 mM 'natural abundance'
KCl 100 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % [U-2H]
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure calculation'
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name OLIVIA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Masashi Yokochi' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UNITY
_Field_strength 800
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UNITY
_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_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CO)CA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCAHA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCAHA'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_2D_HBCBCGCDHD_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D HBCBCGCDHD'
_Sample_label $sample_1
save_
save_2D_HBCBCGCDCEHE_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D HBCBCGCDCEHE'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aromatic_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_1
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' 100 . mM
pH 7.0 . pH
pressure 1 . atm
temperature 295 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_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 0.000 internal indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.000 internal 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_chemical_shifts_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
'2D 1H-13C HSQC aromatic'
'3D HNCA'
'3D HNCACB'
'3D HNCO'
'3D HN(CO)CA'
'3D CBCA(CO)NH'
'3D HNCAHA'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
'2D HBCBCGCDHD'
'2D HBCBCGCDCEHE'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name entity_1
_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
1 109 2 ILE HA H 4.188 0.000 1
2 109 2 ILE HB H 1.863 0.000 1
3 109 2 ILE HG12 H 1.466 0.000 1
4 109 2 ILE HG2 H 0.933 0.000 1
5 109 2 ILE HD1 H 0.870 0.000 1
6 109 2 ILE CA C 61.681 0.000 1
7 109 2 ILE CB C 38.929 0.000 1
8 109 2 ILE CG1 C 27.313 0.000 1
9 109 2 ILE CG2 C 17.560 0.000 1
10 109 2 ILE CD1 C 13.184 0.000 1
11 110 3 ALA H H 8.511 0.000 1
12 110 3 ALA HA H 4.282 0.000 1
13 110 3 ALA HB H 1.386 0.000 1
14 110 3 ALA CA C 52.862 0.000 1
15 110 3 ALA CB C 19.071 0.000 1
16 110 3 ALA N N 127.240 0.000 1
17 111 4 GLU H H 8.307 0.000 1
18 111 4 GLU HA H 4.184 0.000 1
19 111 4 GLU HB2 H 2.030 0.028 1
20 111 4 GLU HB3 H 1.967 0.000 1
21 111 4 GLU HG2 H 2.273 0.000 2
22 111 4 GLU HG3 H 2.273 0.000 2
23 111 4 GLU CA C 57.042 0.000 1
24 111 4 GLU CB C 30.168 0.009 1
25 111 4 GLU CG C 36.450 0.000 1
26 111 4 GLU N N 120.077 0.000 1
27 112 5 ALA H H 8.274 0.000 1
28 112 5 ALA HA H 4.246 0.000 1
29 112 5 ALA HB H 1.345 0.000 1
30 112 5 ALA CA C 52.632 0.000 1
31 112 5 ALA CB C 19.160 0.000 1
32 112 5 ALA N N 124.176 0.000 1
33 113 6 ALA H H 8.135 0.000 1
34 113 6 ALA HA H 4.257 0.000 1
35 113 6 ALA HB H 1.292 0.000 1
36 113 6 ALA CA C 52.594 0.000 1
37 113 6 ALA CB C 19.246 0.000 1
38 113 6 ALA N N 122.397 0.000 1
39 114 7 PHE H H 8.047 0.000 1
40 114 7 PHE HA H 4.585 0.000 1
41 114 7 PHE HB2 H 3.132 0.000 1
42 114 7 PHE HB3 H 3.030 0.000 1
43 114 7 PHE HD1 H 7.229 0.003 3
44 114 7 PHE HD2 H 7.229 0.003 3
45 114 7 PHE HE1 H 7.323 0.013 3
46 114 7 PHE HE2 H 7.323 0.013 3
47 114 7 PHE CA C 57.711 0.000 1
48 114 7 PHE CB C 39.607 0.034 1
49 114 7 PHE CD1 C 132.114 0.000 3
50 114 7 PHE CD2 C 132.114 0.000 3
51 114 7 PHE CE1 C 131.352 0.000 3
52 114 7 PHE CE2 C 131.352 0.000 3
53 114 7 PHE N N 118.821 0.000 1
54 115 8 ASN H H 8.355 0.000 1
55 115 8 ASN HA H 4.662 0.000 1
56 115 8 ASN HB2 H 2.781 0.000 1
57 115 8 ASN HB3 H 2.682 0.000 1
58 115 8 ASN CA C 53.085 0.000 1
59 115 8 ASN CB C 38.926 0.007 1
60 115 8 ASN N N 120.549 0.000 1
61 116 9 LYS H H 8.305 0.000 1
62 116 9 LYS HA H 4.269 0.000 1
63 116 9 LYS HB2 H 1.891 0.000 1
64 116 9 LYS HB3 H 1.772 0.000 1
65 116 9 LYS HG2 H 1.429 0.000 1
66 116 9 LYS HD2 H 1.646 0.000 1
67 116 9 LYS HD3 H 1.629 0.000 2
68 116 9 LYS HE2 H 2.943 0.000 1
69 116 9 LYS CA C 56.789 0.000 1
70 116 9 LYS CB C 32.812 0.022 1
71 116 9 LYS CG C 24.775 0.000 1
72 116 9 LYS CD C 29.051 0.079 1
73 116 9 LYS CE C 42.044 0.000 1
74 116 9 LYS N N 121.827 0.000 1
75 117 10 GLY H H 8.379 0.000 1
76 117 10 GLY HA2 H 4.385 0.000 1
77 117 10 GLY CA C 45.789 0.000 1
78 117 10 GLY N N 109.560 0.000 1
79 118 11 GLU H H 8.316 0.000 1
80 118 11 GLU HA H 4.358 0.000 1
81 118 11 GLU HB2 H 2.076 0.000 1
82 118 11 GLU HG2 H 2.261 0.000 1
83 118 11 GLU CA C 56.825 0.000 1
84 118 11 GLU CB C 30.381 0.000 1
85 118 11 GLU CG C 36.344 0.000 1
86 118 11 GLU N N 120.477 0.000 1
87 119 12 THR H H 8.234 0.000 1
88 119 12 THR HA H 4.345 0.000 1
89 119 12 THR HB H 4.209 0.000 1
90 119 12 THR HG2 H 1.075 0.000 1
91 119 12 THR CA C 62.018 0.000 1
92 119 12 THR CB C 69.879 0.000 1
93 119 12 THR CG2 C 22.026 0.000 1
94 119 12 THR N N 114.899 0.000 1
95 120 13 ALA H H 8.343 0.000 1
96 120 13 ALA HA H 4.326 0.000 1
97 120 13 ALA HB H 1.371 0.000 1
98 120 13 ALA CA C 52.753 0.000 1
99 120 13 ALA CB C 19.334 0.000 1
100 120 13 ALA N N 125.973 0.000 1
101 121 14 MET H H 8.282 0.000 1
102 121 14 MET HA H 4.508 0.000 1
103 121 14 MET HB2 H 1.995 0.000 2
104 121 14 MET HB3 H 1.995 0.000 2
105 121 14 MET HG2 H 2.565 0.000 1
106 121 14 MET HG3 H 2.474 0.000 1
107 121 14 MET CA C 55.672 0.000 1
108 121 14 MET CB C 33.074 0.000 1
109 121 14 MET CG C 32.127 0.000 1
110 121 14 MET N N 118.972 0.000 1
111 122 15 THR H H 8.129 0.000 1
112 122 15 THR HA H 4.420 0.000 1
113 122 15 THR HB H 4.245 0.000 1
114 122 15 THR HG2 H 1.151 0.000 1
115 122 15 THR CA C 61.896 0.000 1
116 122 15 THR CB C 69.933 0.000 1
117 122 15 THR CG2 C 22.002 0.000 1
118 122 15 THR N N 115.434 0.000 1
119 123 16 ILE H H 8.192 0.000 1
120 123 16 ILE HA H 4.305 0.000 1
121 123 16 ILE HB H 1.914 0.000 1
122 123 16 ILE HG12 H 1.195 0.000 2
123 123 16 ILE HG13 H 1.195 0.000 2
124 123 16 ILE HG2 H 0.830 0.000 1
125 123 16 ILE HD1 H 0.797 0.000 1
126 123 16 ILE CA C 61.411 0.000 1
127 123 16 ILE CB C 38.979 0.000 1
128 123 16 ILE CG1 C 27.320 0.000 1
129 123 16 ILE CG2 C 17.517 0.000 1
130 123 16 ILE CD1 C 13.189 0.000 1
131 123 16 ILE N N 122.215 0.000 1
132 124 17 ASN H H 8.551 0.000 1
133 124 17 ASN HA H 4.977 0.000 1
134 124 17 ASN HB3 H 2.799 0.000 1
135 124 17 ASN CA C 52.997 0.000 1
136 124 17 ASN CB C 39.377 0.000 1
137 124 17 ASN N N 122.348 0.000 1
138 125 18 GLY H H 7.752 0.000 1
139 125 18 GLY HA2 H 4.482 0.000 2
140 125 18 GLY HA3 H 4.482 0.000 2
141 125 18 GLY CA C 44.730 0.000 1
142 125 18 GLY N N 107.045 0.000 1
143 126 19 PRO HA H 4.386 0.000 1
144 126 19 PRO HB3 H 1.845 0.000 1
145 126 19 PRO HG2 H 1.984 0.000 2
146 126 19 PRO HG3 H 1.984 0.000 2
147 126 19 PRO HD2 H 3.750 0.000 1
148 126 19 PRO CA C 62.915 0.000 1
149 126 19 PRO CB C 32.137 0.000 1
150 126 19 PRO CG C 27.260 0.000 1
151 126 19 PRO CD C 50.569 0.000 1
152 127 20 TRP H H 8.496 0.000 1
153 127 20 TRP HA H 4.200 0.000 1
154 127 20 TRP HB2 H 2.971 0.000 2
155 127 20 TRP HB3 H 2.971 0.000 2
156 127 20 TRP HD1 H 7.088 0.000 1
157 127 20 TRP HE3 H 7.172 0.000 1
158 127 20 TRP CA C 56.992 0.000 1
159 127 20 TRP CB C 30.516 0.000 1
160 127 20 TRP N N 120.956 0.000 1
161 128 21 ALA H H 8.255 0.000 1
162 128 21 ALA HA H 4.295 0.000 1
163 128 21 ALA HB H 1.212 0.000 1
164 128 21 ALA CA C 52.822 0.000 1
165 128 21 ALA CB C 19.244 0.000 1
166 128 21 ALA N N 124.701 0.000 1
167 129 22 TRP H H 7.903 0.000 1
168 129 22 TRP HA H 4.687 0.000 1
169 129 22 TRP HB2 H 3.281 0.000 1
170 129 22 TRP HD1 H 7.079 0.013 1
171 129 22 TRP HE3 H 7.176 0.000 1
172 129 22 TRP CA C 57.073 0.000 1
173 129 22 TRP CB C 30.050 0.012 1
174 129 22 TRP CD1 C 124.558 0.000 1
175 129 22 TRP N N 118.802 0.000 1
176 130 23 SER H H 7.960 0.000 1
177 130 23 SER HA H 4.108 0.000 1
178 130 23 SER HB2 H 3.738 0.000 2
179 130 23 SER HB3 H 3.738 0.000 2
180 130 23 SER CA C 58.016 0.000 1
181 130 23 SER CB C 64.065 0.000 1
182 130 23 SER N N 115.855 0.000 1
183 131 24 ASN HA H 4.682 0.000 1
184 131 24 ASN HB2 H 2.801 0.000 1
185 131 24 ASN HB3 H 2.696 0.000 1
186 131 24 ASN CA C 53.441 0.000 1
187 131 24 ASN CB C 38.924 0.012 1
188 132 25 ILE H H 8.017 0.000 1
189 132 25 ILE HA H 4.091 0.000 1
190 132 25 ILE HB H 1.792 0.000 1
191 132 25 ILE HG12 H 1.090 0.000 2
192 132 25 ILE HG13 H 1.090 0.000 2
193 132 25 ILE HG2 H 0.855 0.000 1
194 132 25 ILE HD1 H 0.215 0.000 1
195 132 25 ILE CA C 61.295 0.000 1
196 132 25 ILE CB C 39.004 0.000 1
197 132 25 ILE CG1 C 27.325 0.000 1
198 132 25 ILE CG2 C 17.558 0.000 1
199 132 25 ILE CD1 C 13.740 0.000 1
200 132 25 ILE N N 120.111 0.000 1
201 133 26 ASP HA H 4.699 0.000 1
202 133 26 ASP HB2 H 2.774 0.000 1
203 133 26 ASP HB3 H 2.605 0.000 1
204 133 26 ASP CA C 54.012 0.000 1
205 133 26 ASP CB C 41.058 0.005 1
206 134 27 THR H H 8.283 0.000 1
207 134 27 THR HA H 4.264 0.000 1
208 134 27 THR HB H 4.392 0.000 1
209 134 27 THR HG2 H 1.211 0.000 1
210 134 27 THR CA C 62.523 0.000 1
211 134 27 THR CB C 69.076 0.000 1
212 134 27 THR CG2 C 21.795 0.000 1
213 134 27 THR N N 115.714 0.000 1
214 135 28 SER H H 8.432 0.000 1
215 135 28 SER HA H 4.376 0.000 1
216 135 28 SER HB2 H 3.914 0.000 1
217 135 28 SER CA C 59.636 0.000 1
218 135 28 SER CB C 63.923 0.000 1
219 135 28 SER N N 118.135 0.000 1
220 136 29 LYS H H 8.023 0.000 1
221 136 29 LYS HA H 4.365 0.000 1
222 136 29 LYS HB2 H 1.895 0.000 1
223 136 29 LYS HB3 H 1.754 0.000 1
224 136 29 LYS HD2 H 1.651 0.000 2
225 136 29 LYS HD3 H 1.651 0.000 2
226 136 29 LYS HE2 H 2.993 0.000 2
227 136 29 LYS HE3 H 2.993 0.000 2
228 136 29 LYS CA C 56.209 0.000 1
229 136 29 LYS CB C 32.903 0.033 1
230 136 29 LYS CD C 28.958 0.000 1
231 136 29 LYS CE C 42.229 0.000 1
232 136 29 LYS N N 122.167 0.000 1
233 137 30 VAL H H 7.959 0.000 1
234 137 30 VAL HA H 4.138 0.000 1
235 137 30 VAL HB H 2.083 0.000 1
236 137 30 VAL HG1 H 0.946 0.000 2
237 137 30 VAL HG2 H 0.946 0.000 2
238 137 30 VAL CA C 62.999 0.000 1
239 137 30 VAL CB C 32.617 0.000 1
240 137 30 VAL CG1 C 21.151 0.000 2
241 137 30 VAL CG2 C 21.151 0.000 2
242 137 30 VAL N N 120.271 0.000 1
243 147 40 SER HA H 4.485 0.000 1
244 147 40 SER HB2 H 3.872 0.000 1
245 147 40 SER CA C 58.643 0.000 1
246 147 40 SER CB C 63.924 0.000 1
247 148 41 GLN HA H 4.411 0.000 1
248 148 41 GLN HB2 H 2.169 0.000 1
249 148 41 GLN HB3 H 2.361 0.000 2
250 148 41 GLN HG2 H 2.383 0.000 2
251 148 41 GLN HG3 H 2.383 0.000 2
252 148 41 GLN CA C 55.627 0.000 1
253 148 41 GLN CB C 29.453 0.011 1
254 148 41 GLN CG C 33.860 0.000 1
255 149 42 ALA H H 8.097 0.000 1
256 149 42 ALA HA H 4.291 0.000 1
257 149 42 ALA HB H 1.117 0.000 1
258 149 42 ALA CA C 52.225 0.000 1
259 149 42 ALA CB C 19.618 0.000 1
260 149 42 ALA N N 124.769 0.000 1
261 150 43 THR H H 8.123 0.000 1
262 150 43 THR HA H 4.477 0.000 1
263 150 43 THR HB H 4.151 0.000 1
264 150 43 THR HG2 H 1.183 0.000 1
265 150 43 THR CA C 61.516 0.000 1
266 150 43 THR CB C 70.256 0.000 1
267 150 43 THR CG2 C 22.123 0.000 1
268 150 43 THR N N 114.856 0.000 1
269 151 44 TRP H H 8.475 0.000 1
270 151 44 TRP HA H 5.092 0.000 1
271 151 44 TRP HB2 H 2.900 0.000 1
272 151 44 TRP HB3 H 2.751 0.000 1
273 151 44 TRP HD1 H 7.017 0.005 1
274 151 44 TRP HZ2 H 7.338 0.000 1
275 151 44 TRP HZ3 H 6.959 0.000 1
276 151 44 TRP CA C 56.346 0.000 1
277 151 44 TRP CB C 33.006 0.011 1
278 151 44 TRP CD1 C 127.422 0.000 1
279 151 44 TRP CZ2 C 113.825 0.000 1
280 151 44 TRP CZ3 C 119.535 0.000 1
281 151 44 TRP N N 123.686 0.000 1
282 152 45 LYS H H 9.572 0.000 1
283 152 45 LYS HA H 4.965 0.000 1
284 152 45 LYS HB2 H 1.857 0.000 1
285 152 45 LYS HG2 H 1.410 0.000 1
286 152 45 LYS HD2 H 1.697 0.000 1
287 152 45 LYS HE2 H 3.017 0.000 1
288 152 45 LYS HE3 H 2.945 0.000 1
289 152 45 LYS CA C 54.236 0.000 1
290 152 45 LYS CB C 35.905 0.000 1
291 152 45 LYS CG C 23.971 0.000 1
292 152 45 LYS CD C 29.446 0.000 1
293 152 45 LYS CE C 42.312 0.023 1
294 152 45 LYS N N 121.534 0.000 1
295 153 46 GLU H H 8.910 0.000 1
296 153 46 GLU HA H 4.471 0.000 1
297 153 46 GLU HB2 H 2.038 0.000 1
298 153 46 GLU HG2 H 2.451 0.000 1
299 153 46 GLU CA C 58.628 0.000 1
300 153 46 GLU CB C 30.221 0.000 1
301 153 46 GLU CG C 37.269 0.000 1
302 153 46 GLU N N 124.080 0.000 1
303 154 47 LYS H H 8.850 0.000 1
304 154 47 LYS HA H 4.720 0.000 1
305 154 47 LYS HB2 H 1.707 0.000 1
306 154 47 LYS HB3 H 1.745 0.000 2
307 154 47 LYS HG2 H 1.335 0.016 2
308 154 47 LYS HG3 H 1.335 0.016 2
309 154 47 LYS HD2 H 1.464 0.000 1
310 154 47 LYS HD3 H 1.603 0.000 1
311 154 47 LYS HE2 H 2.977 0.000 1
312 154 47 LYS CA C 54.627 0.000 1
313 154 47 LYS CB C 36.206 0.064 1
314 154 47 LYS CG C 24.849 0.000 1
315 154 47 LYS CD C 29.714 0.198 1
316 154 47 LYS CE C 42.160 0.000 1
317 154 47 LYS N N 123.900 0.000 1
318 155 48 ASP H H 8.737 0.000 1
319 155 48 ASP HA H 4.892 0.000 1
320 155 48 ASP HB2 H 2.748 0.000 1
321 155 48 ASP HB3 H 2.698 0.000 2
322 155 48 ASP CA C 53.302 0.000 1
323 155 48 ASP CB C 40.632 0.006 1
324 155 48 ASP N N 123.705 0.000 1
325 156 49 GLY H H 7.296 0.000 1
326 156 49 GLY HA2 H 4.189 0.000 2
327 156 49 GLY HA3 H 4.189 0.000 2
328 156 49 GLY CA C 44.060 0.000 1
329 156 49 GLY N N 106.421 0.000 1
330 157 50 ALA H H 8.268 0.000 1
331 157 50 ALA HA H 4.202 0.000 1
332 157 50 ALA HB H 1.097 0.000 1
333 157 50 ALA CA C 51.239 0.000 1
334 157 50 ALA CB C 20.220 0.000 1
335 157 50 ALA N N 119.993 0.000 1
336 158 51 VAL H H 8.774 0.000 1
337 158 51 VAL HA H 3.899 0.000 1
338 158 51 VAL HB H 2.133 0.000 1
339 158 51 VAL HG1 H 1.016 0.000 1
340 158 51 VAL HG2 H 1.195 0.000 1
341 158 51 VAL CA C 64.368 0.000 1
342 158 51 VAL CB C 32.908 0.000 1
343 158 51 VAL CG1 C 23.933 0.000 1
344 158 51 VAL CG2 C 25.879 0.000 1
345 158 51 VAL N N 119.261 0.000 1
346 159 52 GLU H H 9.664 0.012 1
347 159 52 GLU HA H 4.510 0.025 1
348 159 52 GLU HB2 H 2.370 0.006 1
349 159 52 GLU HB3 H 1.910 0.009 1
350 159 52 GLU HG2 H 2.335 0.003 1
351 159 52 GLU HG3 H 2.265 0.000 1
352 159 52 GLU CA C 54.954 0.000 1
353 159 52 GLU CB C 32.327 0.047 1
354 159 52 GLU CG C 36.492 0.058 1
355 159 52 GLU N N 132.178 0.000 1
356 160 53 ALA H H 8.322 0.007 1
357 160 53 ALA HA H 3.878 0.021 1
358 160 53 ALA HB H 1.485 0.009 1
359 160 53 ALA CA C 55.457 0.020 1
360 160 53 ALA CB C 20.030 0.000 1
361 160 53 ALA N N 117.261 0.000 1
362 161 54 GLU H H 8.114 0.008 1
363 161 54 GLU HA H 4.696 0.000 1
364 161 54 GLU HB2 H 1.981 0.024 1
365 161 54 GLU HG3 H 2.240 0.000 1
366 161 54 GLU CA C 55.052 0.000 1
367 161 54 GLU CB C 29.454 0.000 1
368 161 54 GLU CG C 37.270 0.000 1
369 161 54 GLU N N 111.831 0.000 1
370 162 55 ASP H H 7.276 0.013 1
371 162 55 ASP HA H 5.239 0.024 1
372 162 55 ASP HB2 H 2.748 0.014 1
373 162 55 ASP CA C 55.252 0.034 1
374 162 55 ASP CB C 42.158 0.000 1
375 162 55 ASP N N 122.941 0.000 1
376 163 56 ARG H H 8.896 0.007 1
377 163 56 ARG HA H 5.240 0.000 1
378 163 56 ARG HB2 H 1.684 0.000 2
379 163 56 ARG HB3 H 1.684 0.000 2
380 163 56 ARG HG2 H 1.603 0.000 2
381 163 56 ARG HG3 H 1.603 0.000 2
382 163 56 ARG HD2 H 2.968 0.000 2
383 163 56 ARG HD3 H 2.968 0.000 2
384 163 56 ARG CA C 54.700 0.000 1
385 163 56 ARG CB C 33.818 0.000 1
386 163 56 ARG CG C 25.974 0.000 1
387 163 56 ARG CD C 43.534 0.000 1
388 163 56 ARG N N 118.465 0.000 1
389 164 57 VAL H H 9.019 0.009 1
390 164 57 VAL HA H 5.369 0.021 1
391 164 57 VAL HB H 2.153 0.014 1
392 164 57 VAL HG1 H 1.120 0.019 1
393 164 57 VAL CA C 58.180 0.034 1
394 164 57 VAL CB C 34.396 0.000 1
395 164 57 VAL CG1 C 24.240 0.000 1
396 164 57 VAL N N 119.500 0.000 1
397 165 58 THR H H 8.442 0.010 1
398 165 58 THR HA H 5.223 0.010 1
399 165 58 THR HB H 3.885 0.001 1
400 165 58 THR HG2 H 0.910 0.002 1
401 165 58 THR CA C 61.948 0.042 1
402 165 58 THR CB C 69.276 0.021 1
403 165 58 THR CG2 C 19.785 0.000 1
404 165 58 THR N N 119.095 0.000 1
405 166 59 ILE H H 9.620 0.008 1
406 166 59 ILE HA H 5.742 0.014 1
407 166 59 ILE HB H 2.077 0.006 1
408 166 59 ILE HG12 H 1.547 0.014 2
409 166 59 ILE HG13 H 1.547 0.014 2
410 166 59 ILE HG2 H 0.998 0.006 1
411 166 59 ILE HD1 H 1.026 0.000 1
412 166 59 ILE CA C 58.490 0.017 1
413 166 59 ILE CB C 42.746 0.033 1
414 166 59 ILE CG1 C 24.679 0.090 1
415 166 59 ILE CG2 C 19.187 0.000 1
416 166 59 ILE CD1 C 14.446 0.000 1
417 166 59 ILE N N 119.725 0.000 1
418 167 60 ASP H H 8.538 0.009 1
419 167 60 ASP HA H 5.353 0.014 1
420 167 60 ASP HB2 H 3.060 0.000 1
421 167 60 ASP HB3 H 2.605 0.007 1
422 167 60 ASP CA C 52.586 0.069 1
423 167 60 ASP CB C 42.404 0.077 1
424 167 60 ASP N N 119.148 0.000 1
425 168 61 PHE H H 8.566 0.007 1
426 168 61 PHE HA H 6.121 0.033 1
427 168 61 PHE HB2 H 2.975 0.007 2
428 168 61 PHE HB3 H 2.975 0.007 2
429 168 61 PHE HD1 H 6.949 0.019 1
430 168 61 PHE HD2 H 6.942 0.000 1
431 168 61 PHE HE1 H 6.322 0.000 3
432 168 61 PHE HE2 H 6.322 0.000 3
433 168 61 PHE HZ H 6.386 0.029 1
434 168 61 PHE CA C 55.756 0.000 1
435 168 61 PHE CB C 43.818 0.060 1
436 168 61 PHE CD1 C 132.370 0.009 1
437 168 61 PHE CZ C 130.399 0.000 1
438 168 61 PHE N N 114.527 0.000 1
439 169 62 THR H H 8.488 0.005 1
440 169 62 THR HA H 4.862 0.000 1
441 169 62 THR HB H 4.028 0.022 1
442 169 62 THR HG2 H 1.054 0.020 1
443 169 62 THR CA C 62.902 0.000 1
444 169 62 THR CB C 71.654 0.044 1
445 169 62 THR CG2 C 21.518 0.000 1
446 169 62 THR N N 114.728 0.000 1
447 170 63 GLY H H 9.307 0.000 1
448 170 63 GLY HA2 H 4.557 0.011 1
449 170 63 GLY CA C 45.108 0.018 1
450 170 63 GLY N N 119.199 0.000 1
451 171 64 SER H H 9.009 0.010 1
452 171 64 SER HA H 5.020 0.012 1
453 171 64 SER HB2 H 3.526 0.008 1
454 171 64 SER HB3 H 3.283 0.005 1
455 171 64 SER CA C 57.469 0.031 1
456 171 64 SER CB C 66.227 0.000 1
457 171 64 SER N N 115.839 0.000 1
458 172 65 VAL H H 8.828 0.007 1
459 172 65 VAL HA H 4.486 0.012 1
460 172 65 VAL HB H 1.894 0.000 1
461 172 65 VAL HG1 H 0.916 0.004 1
462 172 65 VAL HG2 H 0.791 0.022 1
463 172 65 VAL CA C 61.527 0.008 1
464 172 65 VAL CB C 34.880 0.000 1
465 172 65 VAL CG1 C 21.555 0.124 1
466 172 65 VAL CG2 C 21.429 0.000 1
467 172 65 VAL N N 120.266 0.000 1
468 173 66 ASP H H 9.611 0.001 1
469 173 66 ASP HA H 4.320 0.000 1
470 173 66 ASP HB2 H 3.035 0.000 1
471 173 66 ASP HB3 H 2.719 0.000 1
472 173 66 ASP CA C 55.553 0.000 1
473 173 66 ASP CB C 39.598 0.014 1
474 173 66 ASP N N 128.928 0.000 1
475 174 67 GLY H H 8.682 0.000 1
476 174 67 GLY HA2 H 4.217 0.000 1
477 174 67 GLY CA C 45.322 0.000 1
478 174 67 GLY N N 102.530 0.000 1
479 175 68 GLU H H 7.901 0.000 1
480 175 68 GLU HA H 4.708 0.000 1
481 175 68 GLU HB2 H 2.128 0.000 1
482 175 68 GLU HB3 H 1.974 0.000 1
483 175 68 GLU HG2 H 2.315 0.000 1
484 175 68 GLU HG3 H 2.201 0.000 1
485 175 68 GLU CA C 54.631 0.000 1
486 175 68 GLU CB C 32.049 0.003 1
487 175 68 GLU CG C 35.848 0.025 1
488 175 68 GLU N N 120.423 0.000 1
489 176 69 GLU H H 8.868 0.000 1
490 176 69 GLU HA H 4.430 0.000 1
491 176 69 GLU HB2 H 1.760 0.000 2
492 176 69 GLU HB3 H 1.760 0.000 2
493 176 69 GLU HG2 H 2.038 0.000 2
494 176 69 GLU HG3 H 2.038 0.000 2
495 176 69 GLU CA C 56.942 0.000 1
496 176 69 GLU CB C 30.031 0.000 1
497 176 69 GLU CG C 36.509 0.000 1
498 176 69 GLU N N 125.863 0.000 1
499 177 70 PHE H H 7.036 0.008 1
500 177 70 PHE HA H 5.078 0.000 1
501 177 70 PHE HB2 H 3.125 0.000 1
502 177 70 PHE HB3 H 2.976 0.000 1
503 177 70 PHE HD1 H 7.075 0.028 3
504 177 70 PHE HD2 H 7.075 0.028 3
505 177 70 PHE HE1 H 6.968 0.000 3
506 177 70 PHE HE2 H 6.968 0.000 3
507 177 70 PHE HZ H 6.788 0.000 1
508 177 70 PHE CA C 54.172 0.000 1
509 177 70 PHE CB C 41.294 0.085 1
510 177 70 PHE CD1 C 132.113 0.000 3
511 177 70 PHE CD2 C 132.113 0.000 3
512 177 70 PHE CZ C 130.098 0.000 1
513 177 70 PHE N N 117.202 0.000 1
514 178 71 GLU H H 9.040 0.000 1
515 178 71 GLU HA H 4.170 0.000 1
516 178 71 GLU HB2 H 2.068 0.000 2
517 178 71 GLU HB3 H 2.073 0.000 1
518 178 71 GLU HG2 H 2.356 0.000 1
519 178 71 GLU HG3 H 2.273 0.000 2
520 178 71 GLU CA C 57.995 0.000 1
521 178 71 GLU CB C 29.575 0.000 1
522 178 71 GLU CG C 36.182 0.042 1
523 178 71 GLU N N 124.689 0.000 1
524 179 72 GLY H H 8.997 0.000 1
525 179 72 GLY HA2 H 4.026 0.000 2
526 179 72 GLY HA3 H 4.026 0.000 2
527 179 72 GLY CA C 45.467 0.000 1
528 179 72 GLY N N 113.848 0.000 1
529 180 73 GLY H H 7.790 0.000 1
530 180 73 GLY HA2 H 4.195 0.000 1
531 180 73 GLY CA C 46.540 0.000 1
532 180 73 GLY N N 106.097 0.000 1
533 181 74 LYS H H 7.589 0.007 1
534 181 74 LYS HA H 5.327 0.008 1
535 181 74 LYS HB2 H 1.723 0.008 1
536 181 74 LYS HG2 H 1.387 0.000 2
537 181 74 LYS HG3 H 1.387 0.000 2
538 181 74 LYS HD2 H 1.617 0.000 2
539 181 74 LYS HD3 H 1.617 0.000 2
540 181 74 LYS HE2 H 2.890 0.025 2
541 181 74 LYS HE3 H 2.890 0.025 2
542 181 74 LYS CA C 54.422 0.076 1
543 181 74 LYS CB C 36.065 0.004 1
544 181 74 LYS CG C 24.794 0.000 1
545 181 74 LYS CD C 29.612 0.000 1
546 181 74 LYS CE C 42.105 0.000 1
547 181 74 LYS N N 119.234 0.000 1
548 182 75 ALA H H 8.113 0.016 1
549 182 75 ALA HA H 4.372 0.000 1
550 182 75 ALA HB H 0.592 0.041 1
551 182 75 ALA CA C 51.586 0.000 1
552 182 75 ALA CB C 23.009 0.000 1
553 182 75 ALA N N 125.460 0.000 1
554 183 76 SER H H 8.434 0.000 1
555 183 76 SER HA H 5.124 0.011 1
556 183 76 SER HB2 H 3.664 0.000 1
557 183 76 SER HB3 H 3.541 0.000 1
558 183 76 SER CA C 56.442 0.088 1
559 183 76 SER CB C 65.413 0.028 1
560 183 76 SER N N 115.632 0.000 1
561 184 77 ASP H H 9.608 0.018 1
562 184 77 ASP HA H 3.756 0.007 1
563 184 77 ASP HB2 H 2.576 0.004 2
564 184 77 ASP HB3 H 2.576 0.004 2
565 184 77 ASP CA C 56.028 0.039 1
566 184 77 ASP CB C 39.569 0.000 1
567 184 77 ASP N N 123.166 0.000 1
568 185 78 PHE H H 9.167 0.008 1
569 185 78 PHE HA H 4.426 0.000 1
570 185 78 PHE HB2 H 3.249 0.014 1
571 185 78 PHE HB3 H 2.698 0.008 1
572 185 78 PHE HD1 H 7.235 0.006 3
573 185 78 PHE HD2 H 7.235 0.006 3
574 185 78 PHE HE1 H 7.343 0.016 3
575 185 78 PHE HE2 H 7.343 0.016 3
576 185 78 PHE HZ H 7.073 0.000 1
577 185 78 PHE CA C 58.299 0.000 1
578 185 78 PHE CB C 40.177 0.042 1
579 185 78 PHE CD1 C 131.955 0.018 3
580 185 78 PHE CD2 C 131.955 0.018 3
581 185 78 PHE CE1 C 131.365 0.000 3
582 185 78 PHE CE2 C 131.365 0.000 3
583 185 78 PHE CZ C 129.694 0.000 1
584 185 78 PHE N N 121.370 0.000 1
585 186 79 VAL H H 7.886 0.010 1
586 186 79 VAL HA H 4.515 0.008 1
587 186 79 VAL HB H 1.632 0.014 1
588 186 79 VAL HG1 H 0.779 0.012 1
589 186 79 VAL HG2 H 0.391 0.016 1
590 186 79 VAL CA C 61.947 0.024 1
591 186 79 VAL CB C 31.478 0.047 1
592 186 79 VAL CG1 C 20.838 0.176 2
593 186 79 VAL CG2 C 20.838 0.176 2
594 186 79 VAL N N 129.469 0.000 1
595 187 80 LEU H H 9.270 0.010 1
596 187 80 LEU HA H 4.388 0.011 1
597 187 80 LEU HB2 H 1.903 0.006 1
598 187 80 LEU HB3 H 1.192 0.030 1
599 187 80 LEU HG H 1.298 0.000 1
600 187 80 LEU HD1 H 0.935 0.009 1
601 187 80 LEU HD2 H 0.986 0.018 2
602 187 80 LEU CA C 52.898 0.021 1
603 187 80 LEU CB C 44.724 0.004 1
604 187 80 LEU CG C 27.685 0.000 1
605 187 80 LEU CD1 C 25.946 0.000 1
606 187 80 LEU CD2 C 22.928 0.000 2
607 187 80 LEU N N 130.755 0.000 1
608 188 81 ALA H H 8.612 0.016 1
609 188 81 ALA HA H 4.266 0.000 1
610 188 81 ALA HB H 1.251 0.000 1
611 188 81 ALA CA C 51.853 0.000 1
612 188 81 ALA CB C 16.843 0.000 1
613 188 81 ALA N N 132.359 0.000 1
614 189 82 MET H H 8.636 0.000 1
615 189 82 MET HA H 4.207 0.000 1
616 189 82 MET HB2 H 2.382 0.000 1
617 189 82 MET HB3 H 2.127 0.000 1
618 189 82 MET HG2 H 2.631 0.000 2
619 189 82 MET HG3 H 2.631 0.000 2
620 189 82 MET CA C 56.525 0.000 1
621 189 82 MET CB C 33.722 0.186 1
622 189 82 MET CG C 32.355 0.000 1
623 189 82 MET N N 125.280 0.000 1
624 190 83 GLY H H 10.223 0.000 1
625 190 83 GLY HA2 H 3.943 0.000 1
626 190 83 GLY CA C 46.455 0.000 1
627 190 83 GLY N N 109.559 0.000 1
628 191 84 GLN H H 9.089 0.000 1
629 191 84 GLN HA H 4.622 0.000 1
630 191 84 GLN HB2 H 2.486 0.000 1
631 191 84 GLN HB3 H 1.868 0.000 1
632 191 84 GLN HG2 H 2.268 0.000 1
633 191 84 GLN HG3 H 2.219 0.000 1
634 191 84 GLN CA C 54.223 0.000 1
635 191 84 GLN CB C 29.333 0.242 1
636 191 84 GLN CG C 33.412 0.007 1
637 191 84 GLN N N 118.580 0.000 1
638 192 85 GLY H H 9.154 0.000 1
639 192 85 GLY N N 110.769 0.000 1
640 193 86 ARG HA H 4.135 0.000 1
641 193 86 ARG HB2 H 1.898 0.000 2
642 193 86 ARG HB3 H 1.898 0.000 2
643 193 86 ARG HG2 H 1.650 0.000 2
644 193 86 ARG HG3 H 1.650 0.000 2
645 193 86 ARG HD2 H 2.975 0.000 2
646 193 86 ARG HD3 H 2.975 0.000 2
647 193 86 ARG CA C 58.252 0.000 1
648 193 86 ARG CB C 30.333 0.000 1
649 193 86 ARG CG C 27.964 0.000 1
650 193 86 ARG CD C 43.073 0.000 1
651 194 87 MET H H 8.035 0.000 1
652 194 87 MET HA H 5.120 0.000 1
653 194 87 MET HB2 H 2.061 0.000 2
654 194 87 MET HB3 H 2.061 0.000 2
655 194 87 MET HG2 H 2.570 0.000 1
656 194 87 MET HG3 H 2.479 0.000 1
657 194 87 MET HE H 0.615 0.000 1
658 194 87 MET CA C 51.972 0.000 1
659 194 87 MET CB C 33.086 0.000 1
660 194 87 MET CG C 32.122 0.000 1
661 194 87 MET N N 113.811 0.000 1
662 195 88 ILE H H 7.514 0.000 1
663 195 88 ILE HB H 1.807 0.000 1
664 195 88 ILE HG12 H 1.105 0.000 1
665 195 88 ILE HG2 H 0.873 0.000 1
666 195 88 ILE HD1 H 0.321 0.000 1
667 195 88 ILE CB C 39.003 0.000 1
668 195 88 ILE CG1 C 27.322 0.000 1
669 195 88 ILE CG2 C 18.617 0.000 1
670 195 88 ILE CD1 C 12.186 0.000 1
671 195 88 ILE N N 114.843 0.000 1
672 196 89 PRO HA H 4.092 0.000 1
673 196 89 PRO HB2 H 2.095 0.000 1
674 196 89 PRO HD2 H 3.330 0.000 2
675 196 89 PRO HD3 H 3.330 0.000 2
676 196 89 PRO CA C 62.777 0.000 1
677 196 89 PRO CB C 32.375 0.000 1
678 196 89 PRO CD C 50.635 0.000 1
679 197 90 GLY H H 8.479 0.000 1
680 197 90 GLY HA2 H 3.749 0.000 2
681 197 90 GLY HA3 H 3.749 0.000 2
682 197 90 GLY CA C 45.737 0.000 1
683 197 90 GLY N N 112.453 0.000 1
684 198 91 PHE H H 7.736 0.000 1
685 198 91 PHE HA H 4.129 0.000 1
686 198 91 PHE HB2 H 1.984 0.000 2
687 198 91 PHE HB3 H 1.984 0.000 2
688 198 91 PHE CA C 61.304 0.000 1
689 198 91 PHE CB C 39.438 0.000 1
690 198 91 PHE N N 122.627 0.000 1
691 199 92 GLU H H 8.475 0.000 1
692 199 92 GLU HA H 4.688 0.000 1
693 199 92 GLU HB2 H 1.909 0.000 1
694 199 92 GLU HB3 H 1.758 0.000 1
695 199 92 GLU CA C 56.401 0.000 1
696 199 92 GLU CB C 32.975 0.000 1
697 199 92 GLU N N 123.452 0.000 1
698 200 93 ASP H H 7.941 0.000 1
699 200 93 ASP HA H 4.227 0.000 1
700 200 93 ASP HB3 H 2.515 0.000 1
701 200 93 ASP CA C 57.121 0.000 1
702 200 93 ASP CB C 40.303 0.000 1
703 200 93 ASP N N 119.785 0.000 1
704 201 94 GLY H H 7.408 0.000 1
705 201 94 GLY HA2 H 4.125 0.000 1
706 201 94 GLY HA3 H 3.606 0.000 2
707 201 94 GLY CA C 46.110 0.005 1
708 201 94 GLY N N 103.104 0.000 1
709 202 95 ILE H H 7.349 0.000 1
710 202 95 ILE HA H 3.874 0.000 1
711 202 95 ILE HB H 1.943 0.000 1
712 202 95 ILE HG12 H 1.163 0.001 2
713 202 95 ILE HG13 H 1.163 0.001 2
714 202 95 ILE HD1 H 0.757 0.000 1
715 202 95 ILE CA C 63.208 0.000 1
716 202 95 ILE CB C 38.789 0.000 1
717 202 95 ILE CG1 C 29.074 0.000 1
718 202 95 ILE CD1 C 14.006 0.000 1
719 202 95 ILE N N 119.129 0.000 1
720 203 96 LYS H H 7.032 0.000 1
721 203 96 LYS HA H 3.564 0.000 1
722 203 96 LYS HB2 H 1.627 0.000 2
723 203 96 LYS HB3 H 1.627 0.000 2
724 203 96 LYS HG3 H 1.102 0.000 1
725 203 96 LYS HD2 H 1.590 0.000 2
726 203 96 LYS HD3 H 1.590 0.000 2
727 203 96 LYS HE2 H 2.918 0.000 2
728 203 96 LYS HE3 H 2.918 0.000 2
729 203 96 LYS CA C 58.539 0.000 1
730 203 96 LYS CB C 33.196 0.000 1
731 203 96 LYS CG C 25.970 0.000 1
732 203 96 LYS CD C 29.526 0.000 1
733 203 96 LYS CE C 42.080 0.000 1
734 203 96 LYS N N 117.394 0.000 1
735 204 97 GLY H H 8.928 0.000 1
736 204 97 GLY HA2 H 4.241 0.000 1
737 204 97 GLY CA C 45.436 0.000 1
738 204 97 GLY N N 109.305 0.000 1
739 205 98 HIS H H 7.500 0.000 1
740 205 98 HIS HA H 4.654 0.000 1
741 205 98 HIS HB2 H 2.863 0.000 1
742 205 98 HIS HD2 H 6.571 0.002 1
743 205 98 HIS CA C 55.714 0.000 1
744 205 98 HIS CB C 30.511 0.060 1
745 205 98 HIS CD2 C 120.959 0.000 1
746 205 98 HIS N N 117.802 0.000 1
747 206 99 LYS H H 8.620 0.000 1
748 206 99 LYS HA H 4.696 0.000 1
749 206 99 LYS HB2 H 1.776 0.000 1
750 206 99 LYS HB3 H 1.637 0.000 1
751 206 99 LYS HG2 H 1.449 0.000 1
752 206 99 LYS HG3 H 1.235 0.000 1
753 206 99 LYS HE2 H 2.968 0.000 1
754 206 99 LYS CA C 54.745 0.000 1
755 206 99 LYS CB C 36.278 0.013 1
756 206 99 LYS CG C 24.927 0.350 1
757 206 99 LYS CE C 42.174 0.000 1
758 206 99 LYS N N 117.920 0.000 1
759 207 100 ALA H H 8.778 0.000 1
760 207 100 ALA HA H 3.875 0.000 1
761 207 100 ALA HB H 1.389 0.000 1
762 207 100 ALA CA C 53.744 0.000 1
763 207 100 ALA CB C 18.010 0.000 1
764 207 100 ALA N N 121.121 0.000 1
765 208 101 GLY H H 9.211 0.000 1
766 208 101 GLY HA2 H 3.845 0.000 1
767 208 101 GLY CA C 44.748 0.000 1
768 208 101 GLY N N 110.731 0.000 1
769 209 102 GLU H H 7.930 0.000 1
770 209 102 GLU HA H 4.618 0.000 1
771 209 102 GLU HB2 H 2.314 0.003 1
772 209 102 GLU HG2 H 2.605 0.000 1
773 209 102 GLU HG3 H 2.370 0.000 1
774 209 102 GLU CA C 57.225 0.000 1
775 209 102 GLU CB C 32.652 0.000 1
776 209 102 GLU CG C 38.268 0.010 1
777 209 102 GLU N N 120.038 0.000 1
778 210 103 GLU H H 8.303 0.006 1
779 210 103 GLU HA H 5.385 0.016 1
780 210 103 GLU HB2 H 2.046 0.020 1
781 210 103 GLU HG2 H 2.193 0.000 1
782 210 103 GLU HG3 H 2.092 0.000 1
783 210 103 GLU CA C 54.682 0.000 1
784 210 103 GLU CB C 32.366 0.000 1
785 210 103 GLU CG C 36.771 0.005 1
786 210 103 GLU N N 119.625 0.000 1
787 211 104 PHE H H 8.264 0.000 1
788 211 104 PHE HA H 4.968 0.000 1
789 211 104 PHE HB2 H 3.169 0.000 1
790 211 104 PHE HB3 H 2.951 0.000 1
791 211 104 PHE HD1 H 7.271 0.551 3
792 211 104 PHE HD2 H 7.271 0.551 3
793 211 104 PHE HE1 H 7.309 0.048 3
794 211 104 PHE HE2 H 7.309 0.048 3
795 211 104 PHE CA C 55.739 0.000 1
796 211 104 PHE CB C 38.928 0.004 1
797 211 104 PHE CD1 C 129.858 0.000 3
798 211 104 PHE CD2 C 129.858 0.000 3
799 211 104 PHE CE1 C 129.494 0.000 3
800 211 104 PHE CE2 C 129.494 0.000 3
801 211 104 PHE N N 120.300 0.000 1
802 212 105 THR H H 8.771 0.000 1
803 212 105 THR HA H 5.517 0.020 1
804 212 105 THR HB H 3.938 0.000 1
805 212 105 THR HG2 H 1.088 0.000 1
806 212 105 THR CA C 60.837 0.000 1
807 212 105 THR CB C 71.038 0.000 1
808 212 105 THR CG2 C 22.026 0.000 1
809 212 105 THR N N 115.388 0.000 1
810 213 106 ILE H H 8.962 0.000 1
811 213 106 ILE HA H 4.792 0.000 1
812 213 106 ILE HB H 1.873 0.000 1
813 213 106 ILE HG2 H 0.872 0.000 1
814 213 106 ILE HD1 H 0.217 0.000 1
815 213 106 ILE CA C 59.713 0.000 1
816 213 106 ILE CB C 41.287 0.000 1
817 213 106 ILE CG2 C 18.311 0.000 1
818 213 106 ILE CD1 C 14.505 0.000 1
819 213 106 ILE N N 120.066 0.000 1
820 214 107 ASP H H 8.515 0.000 1
821 214 107 ASP HA H 5.431 0.000 1
822 214 107 ASP HB2 H 2.657 0.000 1
823 214 107 ASP HB3 H 2.500 0.000 1
824 214 107 ASP CA C 53.871 0.000 1
825 214 107 ASP CB C 42.947 0.007 1
826 214 107 ASP N N 123.425 0.000 1
827 215 108 VAL H H 8.614 0.002 1
828 215 108 VAL HA H 4.550 0.000 1
829 215 108 VAL HB H 1.877 0.000 1
830 215 108 VAL HG1 H 0.595 0.000 1
831 215 108 VAL HG2 H 0.657 0.004 1
832 215 108 VAL CA C 59.795 0.000 1
833 215 108 VAL CB C 36.357 0.000 1
834 215 108 VAL CG1 C 21.766 0.000 1
835 215 108 VAL CG2 C 20.828 0.024 1
836 215 108 VAL N N 118.434 0.000 1
837 216 109 THR H H 8.624 0.000 1
838 216 109 THR HA H 4.960 0.000 1
839 216 109 THR HB H 3.801 0.046 1
840 216 109 THR HG2 H 1.023 0.000 1
841 216 109 THR CA C 61.229 0.000 1
842 216 109 THR CB C 70.126 0.000 1
843 216 109 THR CG2 C 21.576 0.000 1
844 216 109 THR N N 120.295 0.000 1
845 217 110 PHE H H 8.925 0.007 1
846 217 110 PHE HA H 4.089 0.000 1
847 217 110 PHE HB2 H 3.212 0.000 2
848 217 110 PHE HB3 H 3.212 0.000 2
849 217 110 PHE HD1 H 7.232 0.774 3
850 217 110 PHE HD2 H 7.232 0.774 3
851 217 110 PHE HE1 H 7.343 0.000 3
852 217 110 PHE HE2 H 7.343 0.000 3
853 217 110 PHE CA C 58.021 0.000 1
854 217 110 PHE CB C 39.563 0.054 1
855 217 110 PHE N N 127.488 0.000 1
856 218 111 PRO HA H 4.510 0.000 1
857 218 111 PRO HB2 H 2.622 0.000 1
858 218 111 PRO HB3 H 2.151 0.000 1
859 218 111 PRO HG2 H 2.178 0.000 1
860 218 111 PRO HG3 H 2.224 0.000 1
861 218 111 PRO HD2 H 3.894 0.000 1
862 218 111 PRO CA C 62.611 0.000 1
863 218 111 PRO CB C 32.665 0.019 1
864 218 111 PRO CG C 27.750 0.018 1
865 218 111 PRO CD C 50.592 0.000 1
866 219 112 GLU H H 8.944 0.000 1
867 219 112 GLU HA H 3.887 0.000 1
868 219 112 GLU HB2 H 2.040 0.000 1
869 219 112 GLU HG2 H 2.410 0.000 2
870 219 112 GLU HG3 H 2.410 0.000 2
871 219 112 GLU CA C 59.379 0.000 1
872 219 112 GLU CB C 29.776 0.000 1
873 219 112 GLU CG C 36.519 0.000 1
874 219 112 GLU N N 123.171 0.000 1
875 220 113 GLU HA H 4.522 0.000 1
876 220 113 GLU HB2 H 2.165 0.000 1
877 220 113 GLU HB3 H 1.947 0.000 1
878 220 113 GLU HG2 H 2.256 0.000 2
879 220 113 GLU HG3 H 2.256 0.000 2
880 220 113 GLU CA C 55.484 0.000 1
881 220 113 GLU CB C 28.632 0.001 1
882 220 113 GLU CG C 36.142 0.000 1
883 221 114 TYR H H 7.478 0.000 1
884 221 114 TYR HA H 4.465 0.000 1
885 221 114 TYR HB3 H 2.604 0.000 1
886 221 114 TYR HD2 H 7.054 0.000 1
887 221 114 TYR HE2 H 6.750 0.000 1
888 221 114 TYR CA C 59.304 0.000 1
889 221 114 TYR CB C 40.771 0.000 1
890 221 114 TYR CD2 C 133.509 0.000 1
891 221 114 TYR CE2 C 119.871 0.000 1
892 221 114 TYR N N 121.891 0.000 1
893 222 115 HIS H H 6.798 0.000 1
894 222 115 HIS HA H 4.322 0.000 1
895 222 115 HIS CA C 58.237 0.000 1
896 222 115 HIS N N 120.575 0.000 1
897 223 116 ALA HA H 4.518 0.000 1
898 223 116 ALA HB H 1.137 0.000 1
899 223 116 ALA CA C 50.901 0.000 1
900 223 116 ALA CB C 18.536 0.000 1
901 224 117 GLU H H 8.975 0.000 1
902 224 117 GLU HA H 3.784 0.000 1
903 224 117 GLU HB2 H 2.074 0.000 1
904 224 117 GLU HB3 H 1.982 0.000 1
905 224 117 GLU HG2 H 2.293 0.000 2
906 224 117 GLU HG3 H 2.293 0.000 2
907 224 117 GLU CA C 59.711 0.000 1
908 224 117 GLU CB C 29.677 0.157 1
909 224 117 GLU CG C 35.821 0.000 1
910 224 117 GLU N N 126.873 0.000 1
911 225 118 ASN H H 8.759 0.000 1
912 225 118 ASN HA H 4.436 0.000 1
913 225 118 ASN HB2 H 2.720 0.000 1
914 225 118 ASN CA C 54.433 0.000 1
915 225 118 ASN CB C 36.855 0.000 1
916 225 118 ASN N N 112.761 0.000 1
917 226 119 LEU H H 7.055 0.000 1
918 226 119 LEU HA H 4.041 0.000 1
919 226 119 LEU HB2 H 0.934 0.000 2
920 226 119 LEU HB3 H 0.934 0.000 2
921 226 119 LEU HG H 0.906 0.000 1
922 226 119 LEU HD1 H 0.037 0.000 1
923 226 119 LEU HD2 H -0.301 0.000 1
924 226 119 LEU CA C 54.094 0.000 1
925 226 119 LEU CB C 43.473 0.000 1
926 226 119 LEU CG C 25.198 0.000 1
927 226 119 LEU CD1 C 25.031 0.000 1
928 226 119 LEU CD2 C 21.205 0.000 1
929 226 119 LEU N N 117.341 0.000 1
930 227 120 LYS H H 7.047 0.000 1
931 227 120 LYS HA H 3.811 0.000 1
932 227 120 LYS HB2 H 1.873 0.000 1
933 227 120 LYS HG2 H 1.404 0.000 2
934 227 120 LYS HG3 H 1.404 0.000 2
935 227 120 LYS HD2 H 1.817 0.000 2
936 227 120 LYS HD3 H 1.817 0.000 2
937 227 120 LYS HE2 H 2.976 0.000 2
938 227 120 LYS HE3 H 2.976 0.000 2
939 227 120 LYS CA C 58.158 0.000 1
940 227 120 LYS CB C 32.698 0.000 1
941 227 120 LYS CG C 23.846 0.000 1
942 227 120 LYS CD C 30.004 0.000 1
943 227 120 LYS CE C 42.318 0.000 1
944 227 120 LYS N N 117.379 0.000 1
945 228 121 GLY H H 7.187 0.018 1
946 228 121 GLY HA2 H 3.691 0.000 1
947 228 121 GLY HA3 H 4.018 0.016 2
948 228 121 GLY CA C 46.096 0.039 1
949 228 121 GLY N N 111.332 0.000 1
950 229 122 LYS H H 7.873 0.010 1
951 229 122 LYS HB2 H 1.878 0.003 2
952 229 122 LYS HB3 H 1.878 0.003 2
953 229 122 LYS HG2 H 1.337 0.025 1
954 229 122 LYS HG3 H 1.147 0.000 1
955 229 122 LYS HD2 H 1.549 0.000 1
956 229 122 LYS HD3 H 1.619 0.000 1
957 229 122 LYS CB C 33.654 0.000 1
958 229 122 LYS CG C 25.129 0.055 1
959 229 122 LYS CD C 28.619 0.006 1
960 229 122 LYS N N 119.212 0.000 1
961 230 123 ALA H H 8.364 0.024 1
962 230 123 ALA HA H 4.831 0.000 1
963 230 123 ALA HB H 1.415 0.000 1
964 230 123 ALA CA C 52.069 0.000 1
965 230 123 ALA CB C 18.778 0.000 1
966 230 123 ALA N N 123.985 0.000 1
967 231 124 ALA H H 9.302 0.000 1
968 231 124 ALA HA H 5.220 0.009 1
969 231 124 ALA HB H 1.273 0.014 1
970 231 124 ALA CA C 50.367 0.012 1
971 231 124 ALA CB C 24.252 0.000 1
972 231 124 ALA N N 126.826 0.000 1
973 232 125 LYS H H 8.687 0.009 1
974 232 125 LYS HA H 5.440 0.000 1
975 232 125 LYS HB2 H 1.549 0.000 2
976 232 125 LYS HB3 H 1.549 0.000 2
977 232 125 LYS HG2 H 1.393 0.000 2
978 232 125 LYS HG3 H 1.393 0.000 2
979 232 125 LYS HD2 H 1.657 0.000 2
980 232 125 LYS HD3 H 1.657 0.000 2
981 232 125 LYS HE2 H 3.002 0.000 2
982 232 125 LYS HE3 H 3.002 0.000 2
983 232 125 LYS CA C 54.429 0.000 1
984 232 125 LYS CB C 36.137 0.000 1
985 232 125 LYS CG C 24.997 0.000 1
986 232 125 LYS CD C 29.218 0.000 1
987 232 125 LYS CE C 42.028 0.000 1
988 232 125 LYS N N 120.489 0.000 1
989 233 126 PHE H H 9.118 0.032 1
990 233 126 PHE HA H 5.224 0.033 1
991 233 126 PHE HB2 H 2.630 0.000 1
992 233 126 PHE HB3 H 2.434 0.000 1
993 233 126 PHE HD1 H 6.965 0.000 3
994 233 126 PHE HD2 H 6.961 0.024 1
995 233 126 PHE HE2 H 7.139 0.020 1
996 233 126 PHE CA C 56.846 0.000 1
997 233 126 PHE CB C 42.207 0.042 1
998 233 126 PHE CD2 C 130.398 0.000 1
999 233 126 PHE CE2 C 131.728 0.000 1
1000 233 126 PHE N N 118.819 0.000 1
1001 234 127 ALA H H 8.588 0.010 1
1002 234 127 ALA HA H 4.633 0.008 1
1003 234 127 ALA HB H 1.369 0.030 1
1004 234 127 ALA CA C 51.761 0.021 1
1005 234 127 ALA CB C 18.979 0.000 1
1006 234 127 ALA N N 128.097 0.000 1
1007 235 128 ILE H H 9.149 0.019 1
1008 235 128 ILE HA H 4.772 0.000 1
1009 235 128 ILE HG12 H 0.879 0.026 2
1010 235 128 ILE HG13 H 0.879 0.026 2
1011 235 128 ILE HG2 H 0.489 0.021 1
1012 235 128 ILE CA C 58.633 0.000 1
1013 235 128 ILE CG1 C 27.329 0.000 1
1014 235 128 ILE CG2 C 17.934 0.000 1
1015 235 128 ILE N N 126.245 0.000 1
1016 236 129 ASN H H 8.540 0.004 1
1017 236 129 ASN HA H 4.997 0.000 1
1018 236 129 ASN HB2 H 2.859 0.014 1
1019 236 129 ASN HB3 H 2.671 0.000 1
1020 236 129 ASN CA C 52.083 0.000 1
1021 236 129 ASN CB C 40.219 0.037 1
1022 236 129 ASN N N 124.159 0.000 1
1023 237 130 LEU H H 8.599 0.007 1
1024 237 130 LEU HB3 H 1.290 0.000 1
1025 237 130 LEU HG H 1.272 0.000 1
1026 237 130 LEU HD1 H 0.836 0.016 1
1027 237 130 LEU HD2 H 0.946 0.001 1
1028 237 130 LEU CB C 42.815 0.000 1
1029 237 130 LEU CG C 27.310 0.000 1
1030 237 130 LEU CD1 C 27.160 0.000 1
1031 237 130 LEU CD2 C 25.101 0.000 1
1032 237 130 LEU N N 127.371 0.000 1
1033 238 131 LYS H H 8.701 0.009 1
1034 238 131 LYS HB2 H 1.834 0.040 1
1035 238 131 LYS HB3 H 1.446 0.018 1
1036 238 131 LYS HG2 H 1.228 0.000 2
1037 238 131 LYS HG3 H 1.228 0.000 2
1038 238 131 LYS HD2 H 1.516 0.007 2
1039 238 131 LYS HD3 H 1.516 0.007 2
1040 238 131 LYS HE2 H 2.790 0.000 2
1041 238 131 LYS HE3 H 2.790 0.000 2
1042 238 131 LYS CB C 33.509 0.006 1
1043 238 131 LYS CG C 25.258 0.000 1
1044 238 131 LYS CD C 28.891 0.000 1
1045 238 131 LYS CE C 41.633 0.000 1
1046 238 131 LYS N N 127.441 0.000 1
1047 239 132 LYS H H 7.615 0.009 1
1048 239 132 LYS HA H 4.476 0.000 1
1049 239 132 LYS HB2 H 1.757 0.000 2
1050 239 132 LYS HB3 H 1.757 0.000 2
1051 239 132 LYS HD2 H 1.534 0.005 2
1052 239 132 LYS HD3 H 1.534 0.005 2
1053 239 132 LYS HE2 H 2.806 0.000 2
1054 239 132 LYS HE3 H 2.806 0.000 2
1055 239 132 LYS CA C 56.616 0.000 1
1056 239 132 LYS CB C 36.242 0.000 1
1057 239 132 LYS CD C 29.333 0.000 1
1058 239 132 LYS CE C 41.627 0.000 1
1059 239 132 LYS N N 117.750 0.000 1
1060 240 133 VAL H H 9.169 0.012 1
1061 240 133 VAL HA H 4.615 0.000 1
1062 240 133 VAL HB H 2.283 0.009 1
1063 240 133 VAL HG1 H 1.054 0.000 1
1064 240 133 VAL HG2 H 1.024 0.011 1
1065 240 133 VAL CA C 62.129 0.000 1
1066 240 133 VAL CB C 34.563 0.000 1
1067 240 133 VAL CG1 C 22.874 0.000 1
1068 240 133 VAL CG2 C 22.994 0.000 1
1069 240 133 VAL N N 126.422 0.000 1
1070 241 134 GLU H H 9.361 0.009 1
1071 241 134 GLU HA H 5.336 0.000 1
1072 241 134 GLU HB2 H 1.918 0.000 2
1073 241 134 GLU HB3 H 1.918 0.000 2
1074 241 134 GLU HG2 H 2.271 0.000 2
1075 241 134 GLU HG3 H 2.271 0.000 2
1076 241 134 GLU CA C 54.149 0.000 1
1077 241 134 GLU CB C 30.307 0.000 1
1078 241 134 GLU CG C 37.299 0.000 1
1079 241 134 GLU N N 124.964 0.000 1
1080 242 135 GLU H H 9.529 0.000 1
1081 242 135 GLU HA H 4.454 0.000 1
1082 242 135 GLU HB2 H 2.175 0.000 1
1083 242 135 GLU HB3 H 1.893 0.000 1
1084 242 135 GLU CA C 52.836 0.000 1
1085 242 135 GLU CB C 34.082 0.026 1
1086 242 135 GLU N N 117.513 0.000 1
1087 243 136 ARG H H 8.475 0.000 1
1088 243 136 ARG HB2 H 1.052 0.000 1
1089 243 136 ARG HB3 H 1.173 0.000 1
1090 243 136 ARG HG2 H 0.573 0.000 1
1091 243 136 ARG HG3 H 0.755 0.000 1
1092 243 136 ARG CB C 30.324 0.000 1
1093 243 136 ARG CG C 26.908 0.000 1
1094 243 136 ARG N N 123.583 0.000 1
1095 244 137 GLU HA H 4.204 0.000 1
1096 244 137 GLU HB2 H 1.815 0.000 2
1097 244 137 GLU HB3 H 1.815 0.000 2
1098 244 137 GLU HG2 H 1.966 0.000 2
1099 244 137 GLU HG3 H 1.966 0.000 2
1100 244 137 GLU CA C 56.084 0.000 1
1101 244 137 GLU CB C 30.812 0.000 1
1102 244 137 GLU CG C 36.738 0.000 1
1103 245 138 LEU H H 8.506 0.000 1
1104 245 138 LEU HA H 4.597 0.000 1
1105 245 138 LEU HB2 H 1.549 0.000 2
1106 245 138 LEU HB3 H 1.549 0.000 2
1107 245 138 LEU HG H 1.545 0.000 1
1108 245 138 LEU HD1 H 0.884 0.000 1
1109 245 138 LEU HD2 H 0.858 0.000 1
1110 245 138 LEU CA C 52.623 0.000 1
1111 245 138 LEU CB C 41.745 0.000 1
1112 245 138 LEU CG C 27.027 0.000 1
1113 245 138 LEU CD1 C 25.219 0.000 1
1114 245 138 LEU CD2 C 23.377 0.000 1
1115 245 138 LEU N N 126.880 0.000 1
1116 246 139 PRO HA H 4.366 0.000 1
1117 246 139 PRO HB3 H 1.865 0.000 1
1118 246 139 PRO HG2 H 1.968 0.000 2
1119 246 139 PRO HG3 H 1.968 0.000 2
1120 246 139 PRO HD2 H 3.729 0.000 1
1121 246 139 PRO HD3 H 3.622 0.000 1
1122 246 139 PRO CA C 62.634 0.000 1
1123 246 139 PRO CB C 32.123 0.000 1
1124 246 139 PRO CG C 27.272 0.000 1
1125 246 139 PRO CD C 50.516 0.012 1
1126 247 140 GLU H H 8.489 0.000 1
1127 247 140 GLU HA H 4.241 0.000 1
1128 247 140 GLU HB2 H 1.984 0.000 1
1129 247 140 GLU CA C 56.065 0.000 1
1130 247 140 GLU CB C 30.288 0.032 1
1131 247 140 GLU N N 120.946 0.000 1
1132 248 141 LEU H H 8.342 0.000 1
1133 248 141 LEU HA H 4.449 0.000 1
1134 248 141 LEU HB2 H 1.640 0.000 1
1135 248 141 LEU HG H 1.559 0.000 1
1136 248 141 LEU HD1 H 0.867 0.000 1
1137 248 141 LEU HD2 H 0.827 0.000 1
1138 248 141 LEU CA C 55.177 0.000 1
1139 248 141 LEU CB C 42.271 0.000 1
1140 248 141 LEU CG C 27.018 0.000 1
1141 248 141 LEU CD1 C 25.201 0.000 1
1142 248 141 LEU CD2 C 23.337 0.000 1
1143 248 141 LEU N N 123.902 0.000 1
1144 249 142 THR H H 7.727 0.000 1
1145 249 142 THR HA H 4.135 0.000 1
1146 249 142 THR HB H 4.227 0.000 1
1147 249 142 THR HG2 H 1.114 0.000 1
1148 249 142 THR CA C 63.084 0.000 1
1149 249 142 THR CB C 70.835 0.000 1
1150 249 142 THR CG2 C 21.999 0.000 1
1151 249 142 THR N N 120.136 0.000 1
stop_
save_