data_30086
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The structure of chaperone SecB in complex with unstructured MBP binding site e
;
_BMRB_accession_number 30086
_BMRB_flat_file_name bmr30086.str
_Entry_type original
_Submission_date 2016-05-09
_Accession_date 2016-05-09
_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 Huang C. . .
2 Saio T. . .
3 Rossi P. . .
4 Kalodimos C. G. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 8
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 1214
"13C chemical shifts" 2550
"15N chemical shifts" 686
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-11-04 update BMRB 'update entry citation'
2016-08-18 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
30080 'SecB in complex with unstructured proPhoA'
30081 'SecB in complex with unstructured PhoA binding site a'
30082 'SecB in complex with unstructured proPhoA binding site c'
30083 'SecB in complex with unstructured proPhoA binding site d'
30084 'SecB in complex with unstructured proPhoA binding site e'
30085 'SecB in complex with unstructured MBP binding site d'
stop_
_Original_release_date 2016-08-18
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural basis for the antifolding activity of a molecular chaperone
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27501151
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Huang C. . .
2 Saio T. . .
3 Rossi P. . .
4 Kalodimos C. G. .
stop_
_Journal_abbreviation Nature
_Journal_volume 537
_Journal_issue 7619
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 202
_Page_last 206
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Protein-export protein SecB, Maltose-binding periplasmic protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'entity_1, chain 1' $entity_1
'entity_1, chain 2' $entity_1
'entity_1, chain 3' $entity_1
'entity_1, chain 4' $entity_1
'entity_2, chain 1' $entity_2
'entity_2, chain 2' $entity_2
'entity_2, chain 3' $entity_2
'entity_2, chain 4' $entity_2
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 'Protein-export protein SecB'
_Molecular_mass 17287.266
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 155
_Mol_residue_sequence
;
MSEQNNTEMTFQIQRIYTKD
ISFEAPNAPHVFQKDWQPEV
KLDLDTASSQLADDVYEVVL
RVTVTASLGEETAFLCEVQQ
GGIFSIAGIEGTQMAHCLGA
YCPNILFPYARECITSMVSR
GTFPQLNLAPVNFDALFMNY
LQQQAGEGTEEHQDA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 MET 2 2 SER 3 3 GLU 4 4 GLN 5 5 ASN
6 6 ASN 7 7 THR 8 8 GLU 9 9 MET 10 10 THR
11 11 PHE 12 12 GLN 13 13 ILE 14 14 GLN 15 15 ARG
16 16 ILE 17 17 TYR 18 18 THR 19 19 LYS 20 20 ASP
21 21 ILE 22 22 SER 23 23 PHE 24 24 GLU 25 25 ALA
26 26 PRO 27 27 ASN 28 28 ALA 29 29 PRO 30 30 HIS
31 31 VAL 32 32 PHE 33 33 GLN 34 34 LYS 35 35 ASP
36 36 TRP 37 37 GLN 38 38 PRO 39 39 GLU 40 40 VAL
41 41 LYS 42 42 LEU 43 43 ASP 44 44 LEU 45 45 ASP
46 46 THR 47 47 ALA 48 48 SER 49 49 SER 50 50 GLN
51 51 LEU 52 52 ALA 53 53 ASP 54 54 ASP 55 55 VAL
56 56 TYR 57 57 GLU 58 58 VAL 59 59 VAL 60 60 LEU
61 61 ARG 62 62 VAL 63 63 THR 64 64 VAL 65 65 THR
66 66 ALA 67 67 SER 68 68 LEU 69 69 GLY 70 70 GLU
71 71 GLU 72 72 THR 73 73 ALA 74 74 PHE 75 75 LEU
76 76 CYS 77 77 GLU 78 78 VAL 79 79 GLN 80 80 GLN
81 81 GLY 82 82 GLY 83 83 ILE 84 84 PHE 85 85 SER
86 86 ILE 87 87 ALA 88 88 GLY 89 89 ILE 90 90 GLU
91 91 GLY 92 92 THR 93 93 GLN 94 94 MET 95 95 ALA
96 96 HIS 97 97 CYS 98 98 LEU 99 99 GLY 100 100 ALA
101 101 TYR 102 102 CYS 103 103 PRO 104 104 ASN 105 105 ILE
106 106 LEU 107 107 PHE 108 108 PRO 109 109 TYR 110 110 ALA
111 111 ARG 112 112 GLU 113 113 CYS 114 114 ILE 115 115 THR
116 116 SER 117 117 MET 118 118 VAL 119 119 SER 120 120 ARG
121 121 GLY 122 122 THR 123 123 PHE 124 124 PRO 125 125 GLN
126 126 LEU 127 127 ASN 128 128 LEU 129 129 ALA 130 130 PRO
131 131 VAL 132 132 ASN 133 133 PHE 134 134 ASP 135 135 ALA
136 136 LEU 137 137 PHE 138 138 MET 139 139 ASN 140 140 TYR
141 141 LEU 142 142 GLN 143 143 GLN 144 144 GLN 145 145 ALA
146 146 GLY 147 147 GLU 148 148 GLY 149 149 THR 150 150 GLU
151 151 GLU 152 152 HIS 153 153 GLN 154 154 ASP 155 155 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_entity_2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Maltose-binding periplasmic protein'
_Molecular_mass 4595.211
_Mol_thiol_state 'not present'
_Details .
_Residue_count 40
_Mol_residue_sequence
;
KGKSALMFNLQEPYFTWPLI
AADGGYAFKYENGKYDIKDV
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 168 LYS 2 169 GLY 3 170 LYS 4 171 SER 5 172 ALA
6 173 LEU 7 174 MET 8 175 PHE 9 176 ASN 10 177 LEU
11 178 GLN 12 179 GLU 13 180 PRO 14 181 TYR 15 182 PHE
16 183 THR 17 184 TRP 18 185 PRO 19 186 LEU 20 187 ILE
21 188 ALA 22 189 ALA 23 190 ASP 24 191 GLY 25 192 GLY
26 193 TYR 27 194 ALA 28 195 PHE 29 196 LYS 30 197 TYR
31 198 GLU 32 199 ASN 33 200 GLY 34 201 LYS 35 202 TYR
36 203 ASP 37 204 ILE 38 205 LYS 39 206 ASP 40 207 VAL
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
_Gene_mnemonic
$entity_1 enterobacteria 83334 Bacteria . Escherichia coli 'secB, Z5036, ECs4487'
$entity_2 enterobacteria 83334 Bacteria . Escherichia coli 'malE, Z5632, ECs5017'
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' . . . . .
$entity_2 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
300 uM [U-100% 13C; U-100% 15N] E.coli Chaperone SecB,
300 uM [U-100% 13C; U-100% 15N] E.coli Maltose Binding Protein (MBP) binding site e,
150 mM potassium chloride, 50 mM sodium phosphate,
50 mM potassium phosphate, 90% H2O/10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 300 uM '[U-100% 13C; U-100% 15N]'
$entity_2 300 uM '[U-100% 13C; U-100% 15N]'
'potassium chloride' 150 mM 'natural abundance'
'potassium phosphate' 50 mM 'natural abundance'
'sodium phosphate' 50 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
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 NMRView
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AvanceIII
_Field_strength 700
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 900
_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_3D_1H-13C_NOESY_aliphatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_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' 150 . mM
pH 7 . pH
pressure 1 . atm
temperature 301 . 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 . . . 0.25144953
DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912
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_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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, chain 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 1 1 MET HE H 2.041 0.02 1
2 1 1 MET CE C 16.906 0.2 1
3 2 2 SER H H 8.028 0.02 1
4 2 2 SER C C 174.344 0.2 1
5 2 2 SER CA C 61.744 0.2 1
6 2 2 SER CB C 69.087 0.2 1
7 2 2 SER N N 115.131 0.2 1
8 9 9 MET H H 7.914 0.02 1
9 9 9 MET HE H 1.923 0.02 1
10 9 9 MET C C 175.590 0.2 1
11 9 9 MET CA C 55.302 0.2 1
12 9 9 MET CB C 32.407 0.2 1
13 9 9 MET CE C 17.165 0.2 1
14 9 9 MET N N 120.990 0.2 1
15 10 10 THR H H 8.569 0.02 1
16 10 10 THR HG2 H 1.184 0.02 1
17 10 10 THR C C 172.598 0.2 1
18 10 10 THR CA C 61.731 0.2 1
19 10 10 THR CB C 69.596 0.2 1
20 10 10 THR CG2 C 21.586 0.2 1
21 10 10 THR N N 120.846 0.2 1
22 11 11 PHE H H 8.405 0.02 1
23 11 11 PHE HD1 H 6.617 0.02 3
24 11 11 PHE HE1 H 7.451 0.02 3
25 11 11 PHE HZ H 7.064 0.02 1
26 11 11 PHE C C 174.620 0.2 1
27 11 11 PHE CA C 57.247 0.2 1
28 11 11 PHE CB C 44.270 0.2 1
29 11 11 PHE CD1 C 130.272 0.2 3
30 11 11 PHE CE1 C 131.752 0.2 3
31 11 11 PHE N N 127.497 0.2 1
32 12 12 GLN H H 8.613 0.02 1
33 12 12 GLN C C 174.426 0.2 1
34 12 12 GLN CA C 53.987 0.2 1
35 12 12 GLN CB C 31.898 0.2 1
36 12 12 GLN N N 126.720 0.2 1
37 13 13 ILE H H 8.846 0.02 1
38 13 13 ILE HD1 H 1.084 0.02 1
39 13 13 ILE C C 175.705 0.2 1
40 13 13 ILE CA C 61.288 0.2 1
41 13 13 ILE CB C 33.426 0.2 1
42 13 13 ILE CD1 C 14.307 0.2 1
43 13 13 ILE N N 125.698 0.2 1
44 14 14 GLN H H 8.718 0.02 1
45 14 14 GLN C C 176.077 0.2 1
46 14 14 GLN CA C 56.993 0.2 1
47 14 14 GLN CB C 27.676 0.2 1
48 14 14 GLN N N 126.919 0.2 1
49 15 15 ARG H H 7.043 0.02 1
50 15 15 ARG C C 173.340 0.2 1
51 15 15 ARG CA C 55.988 0.2 1
52 15 15 ARG CB C 33.426 0.2 1
53 15 15 ARG N N 118.644 0.2 1
54 16 16 ILE H H 8.267 0.02 1
55 16 16 ILE HD1 H 0.302 0.02 1
56 16 16 ILE C C 174.636 0.2 1
57 16 16 ILE CA C 60.243 0.2 1
58 16 16 ILE CB C 39.321 0.2 1
59 16 16 ILE CD1 C 12.159 0.2 1
60 16 16 ILE N N 126.029 0.2 1
61 17 17 TYR H H 7.776 0.02 1
62 17 17 TYR HD1 H 7.143 0.02 3
63 17 17 TYR HE1 H 6.809 0.02 3
64 17 17 TYR C C 172.903 0.2 1
65 17 17 TYR CA C 54.864 0.2 1
66 17 17 TYR CB C 40.385 0.2 1
67 17 17 TYR CD1 C 131.940 0.2 3
68 17 17 TYR CE1 C 118.242 0.2 3
69 17 17 TYR N N 121.637 0.2 1
70 18 18 THR H H 8.391 0.02 1
71 18 18 THR HG2 H 1.241 0.02 1
72 18 18 THR C C 174.179 0.2 1
73 18 18 THR CA C 61.740 0.2 1
74 18 18 THR CB C 68.359 0.2 1
75 18 18 THR CG2 C 21.539 0.2 1
76 18 18 THR N N 118.178 0.2 1
77 19 19 LYS H H 8.529 0.02 1
78 19 19 LYS C C 174.781 0.2 1
79 19 19 LYS CA C 57.498 0.2 1
80 19 19 LYS CB C 31.825 0.2 1
81 19 19 LYS N N 123.939 0.2 1
82 20 20 ASP H H 7.356 0.02 1
83 20 20 ASP C C 174.699 0.2 1
84 20 20 ASP CA C 53.494 0.2 1
85 20 20 ASP CB C 44.124 0.2 1
86 20 20 ASP N N 115.929 0.2 1
87 21 21 ILE H H 9.488 0.02 1
88 21 21 ILE HD1 H 0.784 0.02 1
89 21 21 ILE C C 175.295 0.2 1
90 21 21 ILE CA C 60.993 0.2 1
91 21 21 ILE CB C 42.523 0.2 1
92 21 21 ILE CD1 C 14.908 0.2 1
93 21 21 ILE N N 124.158 0.2 1
94 22 22 SER H H 9.257 0.02 1
95 22 22 SER C C 172.823 0.2 1
96 22 22 SER CA C 57.255 0.2 1
97 22 22 SER CB C 64.793 0.2 1
98 22 22 SER N N 121.862 0.2 1
99 23 23 PHE H H 9.269 0.02 1
100 23 23 PHE HD1 H 6.087 0.02 3
101 23 23 PHE HE1 H 6.985 0.02 3
102 23 23 PHE C C 173.644 0.2 1
103 23 23 PHE CA C 56.748 0.2 1
104 23 23 PHE CB C 42.523 0.2 1
105 23 23 PHE CD1 C 132.374 0.2 3
106 23 23 PHE CE1 C 130.257 0.2 3
107 23 23 PHE N N 127.331 0.2 1
108 24 24 GLU H H 8.099 0.02 1
109 24 24 GLU C C 173.632 0.2 1
110 24 24 GLU CA C 54.994 0.2 1
111 24 24 GLU CB C 32.989 0.2 1
112 24 24 GLU N N 125.441 0.2 1
113 25 25 ALA H H 7.931 0.02 1
114 25 25 ALA HB H 1.698 0.02 1
115 25 25 ALA C C 175.316 0.2 1
116 25 25 ALA CA C 48.487 0.2 1
117 25 25 ALA CB C 19.829 0.2 1
118 25 25 ALA N N 125.875 0.2 1
119 26 26 PRO C C 177.381 0.2 1
120 27 27 ASN H H 9.029 0.02 1
121 27 27 ASN C C 175.785 0.2 1
122 27 27 ASN CA C 51.499 0.2 1
123 27 27 ASN CB C 38.302 0.2 1
124 27 27 ASN N N 114.703 0.2 1
125 28 28 ALA H H 7.409 0.02 1
126 28 28 ALA HB H 1.139 0.02 1
127 28 28 ALA C C 175.575 0.2 1
128 28 28 ALA CA C 50.744 0.2 1
129 28 28 ALA CB C 17.998 0.2 1
130 28 28 ALA N N 124.439 0.2 1
131 29 29 PRO C C 174.506 0.2 1
132 29 29 PRO CA C 60.254 0.2 1
133 29 29 PRO CB C 30.988 0.2 1
134 30 30 HIS H H 7.632 0.02 1
135 30 30 HIS HD2 H 6.993 0.02 1
136 30 30 HIS HE1 H 7.826 0.02 1
137 30 30 HIS C C 178.802 0.2 1
138 30 30 HIS CA C 59.161 0.2 1
139 30 30 HIS CB C 28.939 0.2 1
140 30 30 HIS CD2 C 119.863 0.2 1
141 30 30 HIS CE1 C 138.452 0.2 1
142 30 30 HIS N N 118.421 0.2 1
143 31 31 VAL H H 7.660 0.02 1
144 31 31 VAL HG1 H 0.465 0.02 2
145 31 31 VAL HG2 H 1.133 0.02 2
146 31 31 VAL C C 175.801 0.2 1
147 31 31 VAL CA C 62.771 0.2 1
148 31 31 VAL CB C 30.806 0.2 1
149 31 31 VAL CG1 C 19.189 0.2 2
150 31 31 VAL CG2 C 21.720 0.2 2
151 31 31 VAL N N 116.392 0.2 1
152 32 32 PHE H H 6.942 0.02 1
153 32 32 PHE HD1 H 6.799 0.02 3
154 32 32 PHE HE1 H 7.017 0.02 3
155 32 32 PHE C C 176.643 0.2 1
156 32 32 PHE CA C 56.740 0.2 1
157 32 32 PHE CB C 36.119 0.2 1
158 32 32 PHE CD1 C 132.954 0.2 3
159 32 32 PHE CE1 C 130.974 0.2 3
160 32 32 PHE N N 119.499 0.2 1
161 33 33 GLN H H 7.405 0.02 1
162 33 33 GLN C C 176.270 0.2 1
163 33 33 GLN CA C 55.394 0.2 1
164 33 33 GLN CB C 28.259 0.2 1
165 33 33 GLN N N 114.878 0.2 1
166 34 34 LYS H H 7.090 0.02 1
167 34 34 LYS C C 176.513 0.2 1
168 34 34 LYS CA C 55.213 0.2 1
169 34 34 LYS CB C 32.407 0.2 1
170 34 34 LYS N N 119.111 0.2 1
171 35 35 ASP H H 8.409 0.02 1
172 35 35 ASP C C 176.676 0.2 1
173 35 35 ASP CA C 54.501 0.2 1
174 35 35 ASP CB C 39.903 0.2 1
175 35 35 ASP N N 122.851 0.2 1
176 36 36 TRP H H 8.661 0.02 1
177 36 36 TRP HD1 H 7.267 0.02 1
178 36 36 TRP HE1 H 10.355 0.02 1
179 36 36 TRP HE3 H 7.982 0.02 1
180 36 36 TRP HZ3 H 6.957 0.02 1
181 36 36 TRP C C 173.810 0.2 1
182 36 36 TRP CA C 56.227 0.2 1
183 36 36 TRP CB C 27.676 0.2 1
184 36 36 TRP CD1 C 128.561 0.2 1
185 36 36 TRP CE3 C 122.168 0.2 1
186 36 36 TRP CZ3 C 121.039 0.2 1
187 36 36 TRP N N 126.402 0.2 1
188 36 36 TRP NE1 N 131.154 0.2 1
189 37 37 GLN H H 6.275 0.02 1
190 37 37 GLN C C 172.239 0.2 1
191 37 37 GLN CA C 52.252 0.2 1
192 37 37 GLN CB C 27.895 0.2 1
193 37 37 GLN N N 125.936 0.2 1
194 38 38 PRO C C 176.823 0.2 1
195 38 38 PRO CA C 62.411 0.2 1
196 38 38 PRO CB C 30.880 0.2 1
197 39 39 GLU H H 8.399 0.02 1
198 39 39 GLU C C 175.704 0.2 1
199 39 39 GLU CA C 55.247 0.2 1
200 39 39 GLU CB C 30.296 0.2 1
201 39 39 GLU N N 121.098 0.2 1
202 40 40 VAL H H 8.586 0.02 1
203 40 40 VAL HG1 H 0.737 0.02 2
204 40 40 VAL HG2 H 0.779 0.02 2
205 40 40 VAL C C 174.960 0.2 1
206 40 40 VAL CA C 61.241 0.2 1
207 40 40 VAL CB C 32.407 0.2 1
208 40 40 VAL CG1 C 20.787 0.2 2
209 40 40 VAL CG2 C 21.310 0.2 2
210 40 40 VAL N N 127.833 0.2 1
211 41 41 LYS H H 8.788 0.02 1
212 41 41 LYS C C 174.150 0.2 1
213 41 41 LYS CA C 54.497 0.2 1
214 41 41 LYS CB C 33.499 0.2 1
215 41 41 LYS N N 129.949 0.2 1
216 42 42 LEU H H 8.453 0.02 1
217 42 42 LEU HD1 H 0.941 0.02 2
218 42 42 LEU HD2 H 0.994 0.02 2
219 42 42 LEU C C 175.050 0.2 1
220 42 42 LEU CA C 53.245 0.2 1
221 42 42 LEU CB C 44.634 0.2 1
222 42 42 LEU CD1 C 26.197 0.2 2
223 42 42 LEU CD2 C 25.762 0.2 2
224 42 42 LEU N N 127.698 0.2 1
225 43 43 ASP H H 9.126 0.02 1
226 43 43 ASP C C 173.761 0.2 1
227 43 43 ASP CA C 53.243 0.2 1
228 43 43 ASP CB C 44.529 0.2 1
229 43 43 ASP N N 126.654 0.2 1
230 44 44 LEU H H 8.271 0.02 1
231 44 44 LEU HD1 H 0.824 0.02 2
232 44 44 LEU HD2 H 1.007 0.02 2
233 44 44 LEU C C 175.799 0.2 1
234 44 44 LEU CA C 53.699 0.2 1
235 44 44 LEU CB C 45.143 0.2 1
236 44 44 LEU CD1 C 26.601 0.2 2
237 44 44 LEU CD2 C 26.759 0.2 2
238 44 44 LEU N N 122.340 0.2 1
239 45 45 ASP H H 8.872 0.02 1
240 45 45 ASP C C 174.101 0.2 1
241 45 45 ASP CA C 53.485 0.2 1
242 45 45 ASP CB C 44.124 0.2 1
243 45 45 ASP N N 120.255 0.2 1
244 46 46 THR H H 8.336 0.02 1
245 46 46 THR HG2 H 1.122 0.02 1
246 46 46 THR C C 172.174 0.2 1
247 46 46 THR CA C 59.490 0.2 1
248 46 46 THR CB C 70.615 0.2 1
249 46 46 THR CG2 C 20.838 0.2 1
250 46 46 THR N N 114.580 0.2 1
251 47 47 ALA H H 8.457 0.02 1
252 47 47 ALA HB H 1.434 0.02 1
253 47 47 ALA C C 175.365 0.2 1
254 47 47 ALA CA C 50.985 0.2 1
255 47 47 ALA CB C 22.904 0.2 1
256 47 47 ALA N N 126.382 0.2 1
257 48 48 SER H H 8.397 0.02 1
258 48 48 SER C C 173.923 0.2 1
259 48 48 SER CA C 56.739 0.2 1
260 48 48 SER CB C 66.904 0.2 1
261 48 48 SER N N 113.325 0.2 1
262 49 49 SER H H 9.134 0.02 1
263 49 49 SER C C 172.530 0.2 1
264 49 49 SER CA C 57.409 0.2 1
265 49 49 SER CB C 65.302 0.2 1
266 49 49 SER N N 114.664 0.2 1
267 50 50 GLN H H 8.832 0.02 1
268 50 50 GLN C C 175.591 0.2 1
269 50 50 GLN CA C 55.746 0.2 1
270 50 50 GLN CB C 28.113 0.2 1
271 50 50 GLN N N 125.426 0.2 1
272 51 51 LEU H H 8.773 0.02 1
273 51 51 LEU HD1 H 0.754 0.02 2
274 51 51 LEU HD2 H 0.718 0.02 2
275 51 51 LEU C C 176.579 0.2 1
276 51 51 LEU CA C 55.247 0.2 1
277 51 51 LEU CB C 41.941 0.2 1
278 51 51 LEU CD1 C 26.174 0.2 2
279 51 51 LEU CD2 C 22.304 0.2 2
280 51 51 LEU N N 128.962 0.2 1
281 52 52 ALA H H 8.067 0.02 1
282 52 52 ALA HB H 1.344 0.02 1
283 52 52 ALA C C 176.417 0.2 1
284 52 52 ALA CA C 50.471 0.2 1
285 52 52 ALA CB C 20.370 0.2 1
286 52 52 ALA N N 120.947 0.2 1
287 53 53 ASP H H 8.330 0.02 1
288 53 53 ASP C C 175.882 0.2 1
289 53 53 ASP CA C 57.247 0.2 1
290 53 53 ASP CB C 39.321 0.2 1
291 53 53 ASP N N 120.003 0.2 1
292 54 54 ASP H H 8.272 0.02 1
293 54 54 ASP C C 174.295 0.2 1
294 54 54 ASP CA C 53.999 0.2 1
295 54 54 ASP CB C 39.539 0.2 1
296 54 54 ASP N N 115.748 0.2 1
297 55 55 VAL H H 7.164 0.02 1
298 55 55 VAL HG1 H 0.757 0.02 2
299 55 55 VAL HG2 H 0.847 0.02 2
300 55 55 VAL C C 174.522 0.2 1
301 55 55 VAL CA C 61.742 0.2 1
302 55 55 VAL CB C 33.426 0.2 1
303 55 55 VAL CG1 C 22.446 0.2 2
304 55 55 VAL CG2 C 20.909 0.2 2
305 55 55 VAL N N 118.775 0.2 1
306 56 56 TYR H H 9.182 0.02 1
307 56 56 TYR HD1 H 7.036 0.02 3
308 56 56 TYR HE1 H 6.916 0.02 3
309 56 56 TYR C C 174.975 0.2 1
310 56 56 TYR CA C 56.497 0.2 1
311 56 56 TYR CB C 41.504 0.2 1
312 56 56 TYR CD1 C 131.918 0.2 3
313 56 56 TYR CE1 C 117.545 0.2 3
314 56 56 TYR N N 126.262 0.2 1
315 57 57 GLU H H 9.275 0.02 1
316 57 57 GLU C C 176.270 0.2 1
317 57 57 GLU CA C 53.996 0.2 1
318 57 57 GLU CB C 31.388 0.2 1
319 57 57 GLU N N 123.036 0.2 1
320 58 58 VAL H H 9.062 0.02 1
321 58 58 VAL HG1 H 0.806 0.02 2
322 58 58 VAL HG2 H 1.002 0.02 2
323 58 58 VAL C C 173.712 0.2 1
324 58 58 VAL CA C 60.985 0.2 1
325 58 58 VAL CB C 33.499 0.2 1
326 58 58 VAL CG1 C 20.514 0.2 2
327 58 58 VAL CG2 C 21.936 0.2 2
328 58 58 VAL N N 128.561 0.2 1
329 59 59 VAL H H 8.911 0.02 1
330 59 59 VAL HG1 H 0.833 0.02 2
331 59 59 VAL HG2 H 0.750 0.02 2
332 59 59 VAL C C 174.538 0.2 1
333 59 59 VAL CA C 59.772 0.2 1
334 59 59 VAL CB C 33.513 0.2 1
335 59 59 VAL CG1 C 21.289 0.2 2
336 59 59 VAL CG2 C 21.526 0.2 2
337 59 59 VAL N N 124.198 0.2 1
338 60 60 LEU H H 9.166 0.02 1
339 60 60 LEU HD1 H 1.103 0.02 2
340 60 60 LEU HD2 H 1.051 0.02 2
341 60 60 LEU C C 173.340 0.2 1
342 60 60 LEU CA C 52.743 0.2 1
343 60 60 LEU CB C 44.634 0.2 1
344 60 60 LEU CD1 C 23.784 0.2 2
345 60 60 LEU CD2 C 27.492 0.2 2
346 60 60 LEU N N 129.781 0.2 1
347 61 61 ARG H H 9.361 0.02 1
348 61 61 ARG C C 175.105 0.2 1
349 61 61 ARG CA C 53.997 0.2 1
350 61 61 ARG CB C 30.806 0.2 1
351 61 61 ARG N N 131.280 0.2 1
352 62 62 VAL H H 8.851 0.02 1
353 62 62 VAL HG1 H 1.016 0.02 2
354 62 62 VAL HG2 H 0.946 0.02 2
355 62 62 VAL C C 174.246 0.2 1
356 62 62 VAL CA C 60.734 0.2 1
357 62 62 VAL CB C 33.426 0.2 1
358 62 62 VAL CG1 C 20.791 0.2 2
359 62 62 VAL CG2 C 22.091 0.2 2
360 62 62 VAL N N 126.163 0.2 1
361 63 63 THR H H 9.030 0.02 1
362 63 63 THR HG2 H 1.306 0.02 1
363 63 63 THR C C 173.777 0.2 1
364 63 63 THR CA C 61.734 0.2 1
365 63 63 THR CB C 69.596 0.2 1
366 63 63 THR CG2 C 21.561 0.2 1
367 63 63 THR N N 124.158 0.2 1
368 64 64 VAL H H 9.600 0.02 1
369 64 64 VAL HG1 H 0.975 0.02 2
370 64 64 VAL HG2 H 1.055 0.02 2
371 64 64 VAL C C 174.505 0.2 1
372 64 64 VAL CA C 59.993 0.2 1
373 64 64 VAL CB C 34.081 0.2 1
374 64 64 VAL CG1 C 21.814 0.2 2
375 64 64 VAL CG2 C 22.273 0.2 2
376 64 64 VAL N N 127.065 0.2 1
377 65 65 THR H H 8.585 0.02 1
378 65 65 THR HG2 H 1.091 0.02 1
379 65 65 THR C C 172.886 0.2 1
380 65 65 THR CA C 60.979 0.2 1
381 65 65 THR CB C 69.596 0.2 1
382 65 65 THR CG2 C 20.964 0.2 1
383 65 65 THR N N 122.101 0.2 1
384 66 66 ALA H H 8.334 0.02 1
385 66 66 ALA HB H 0.180 0.02 1
386 66 66 ALA C C 175.931 0.2 1
387 66 66 ALA CA C 48.993 0.2 1
388 66 66 ALA CB C 19.631 0.2 1
389 66 66 ALA N N 128.761 0.2 1
390 67 67 SER H H 8.777 0.02 1
391 67 67 SER C C 172.190 0.2 1
392 67 67 SER CA C 57.236 0.2 1
393 67 67 SER CB C 64.793 0.2 1
394 67 67 SER N N 119.611 0.2 1
395 68 68 LEU H H 8.597 0.02 1
396 68 68 LEU HD1 H 0.479 0.02 2
397 68 68 LEU HD2 H 0.971 0.02 2
398 68 68 LEU C C 176.643 0.2 1
399 68 68 LEU CA C 52.243 0.2 1
400 68 68 LEU CB C 40.995 0.2 1
401 68 68 LEU CD1 C 22.636 0.2 2
402 68 68 LEU CD2 C 26.001 0.2 2
403 68 68 LEU N N 124.616 0.2 1
404 69 69 GLY H H 8.653 0.02 1
405 69 69 GLY C C 175.007 0.2 1
406 69 69 GLY CA C 46.498 0.2 1
407 69 69 GLY N N 116.100 0.2 1
408 70 70 GLU H H 8.821 0.02 1
409 70 70 GLU C C 175.939 0.2 1
410 70 70 GLU CA C 56.225 0.2 1
411 70 70 GLU CB C 28.360 0.2 1
412 70 70 GLU N N 125.299 0.2 1
413 71 71 GLU H H 7.585 0.02 1
414 71 71 GLU C C 175.688 0.2 1
415 71 71 GLU CA C 54.478 0.2 1
416 71 71 GLU CB C 31.024 0.2 1
417 71 71 GLU N N 120.136 0.2 1
418 72 72 THR H H 8.637 0.02 1
419 72 72 THR HG2 H 0.907 0.02 1
420 72 72 THR C C 174.149 0.2 1
421 72 72 THR CA C 63.993 0.2 1
422 72 72 THR CB C 68.068 0.2 1
423 72 72 THR CG2 C 21.929 0.2 1
424 72 72 THR N N 122.499 0.2 1
425 73 73 ALA H H 9.516 0.02 1
426 73 73 ALA HB H 1.225 0.02 1
427 73 73 ALA C C 176.472 0.2 1
428 73 73 ALA CA C 52.995 0.2 1
429 73 73 ALA CB C 18.923 0.2 1
430 73 73 ALA N N 132.896 0.2 1
431 74 74 PHE H H 7.232 0.02 1
432 74 74 PHE HD1 H 7.342 0.02 3
433 74 74 PHE HE1 H 7.283 0.02 3
434 74 74 PHE C C 171.818 0.2 1
435 74 74 PHE CA C 56.243 0.2 1
436 74 74 PHE CB C 39.903 0.2 1
437 74 74 PHE CD1 C 132.110 0.2 3
438 74 74 PHE CE1 C 131.283 0.2 3
439 74 74 PHE N N 108.604 0.2 1
440 75 75 LEU H H 8.369 0.02 1
441 75 75 LEU HD1 H 0.822 0.02 2
442 75 75 LEU C C 175.891 0.2 1
443 75 75 LEU CA C 53.770 0.2 1
444 75 75 LEU CB C 44.197 0.2 1
445 75 75 LEU CD1 C 25.172 0.2 2
446 75 75 LEU N N 121.098 0.2 1
447 76 76 CYS H H 9.481 0.02 1
448 76 76 CYS C C 171.818 0.2 1
449 76 76 CYS CA C 56.496 0.2 1
450 76 76 CYS CB C 29.714 0.2 1
451 76 76 CYS N N 123.441 0.2 1
452 77 77 GLU H H 9.516 0.02 1
453 77 77 GLU C C 174.280 0.2 1
454 77 77 GLU CA C 54.684 0.2 1
455 77 77 GLU CB C 32.910 0.2 1
456 77 77 GLU N N 128.770 0.2 1
457 78 78 VAL H H 8.884 0.02 1
458 78 78 VAL HG1 H 1.109 0.02 2
459 78 78 VAL HG2 H 1.127 0.02 2
460 78 78 VAL C C 173.939 0.2 1
461 78 78 VAL CA C 59.243 0.2 1
462 78 78 VAL CB C 33.499 0.2 1
463 78 78 VAL CG1 C 20.643 0.2 2
464 78 78 VAL CG2 C 22.591 0.2 2
465 78 78 VAL N N 123.731 0.2 1
466 79 79 GLN H H 8.762 0.02 1
467 79 79 GLN C C 173.939 0.2 1
468 79 79 GLN CA C 54.781 0.2 1
469 79 79 GLN CB C 28.550 0.2 1
470 79 79 GLN N N 124.576 0.2 1
471 80 80 GLN H H 9.435 0.02 1
472 80 80 GLN C C 173.210 0.2 1
473 80 80 GLN CA C 53.738 0.2 1
474 80 80 GLN CB C 29.205 0.2 1
475 80 80 GLN N N 128.844 0.2 1
476 81 81 GLY H H 9.332 0.02 1
477 81 81 GLY C C 172.061 0.2 1
478 81 81 GLY CA C 42.994 0.2 1
479 81 81 GLY N N 116.406 0.2 1
480 82 82 GLY H H 8.394 0.02 1
481 82 82 GLY C C 171.764 0.2 1
482 82 82 GLY CA C 45.026 0.2 1
483 82 82 GLY N N 105.876 0.2 1
484 83 83 ILE H H 8.194 0.02 1
485 83 83 ILE HD1 H 0.736 0.02 1
486 83 83 ILE C C 177.999 0.2 1
487 83 83 ILE CA C 59.239 0.2 1
488 83 83 ILE CB C 38.811 0.2 1
489 83 83 ILE CD1 C 13.139 0.2 1
490 83 83 ILE N N 121.028 0.2 1
491 84 84 PHE H H 9.314 0.02 1
492 84 84 PHE HD1 H 6.957 0.02 3
493 84 84 PHE HE1 H 7.201 0.02 3
494 84 84 PHE C C 175.007 0.2 1
495 84 84 PHE CA C 55.000 0.2 1
496 84 84 PHE CB C 41.431 0.2 1
497 84 84 PHE CD1 C 132.140 0.2 3
498 84 84 PHE CE1 C 130.699 0.2 3
499 84 84 PHE N N 125.360 0.2 1
500 85 85 SER H H 8.969 0.02 1
501 85 85 SER C C 174.149 0.2 1
502 85 85 SER CA C 56.669 0.2 1
503 85 85 SER CB C 62.755 0.2 1
504 85 85 SER N N 120.826 0.2 1
505 86 86 ILE H H 8.425 0.02 1
506 86 86 ILE HD1 H 0.594 0.02 1
507 86 86 ILE C C 174.037 0.2 1
508 86 86 ILE CA C 60.475 0.2 1
509 86 86 ILE CB C 40.922 0.2 1
510 86 86 ILE CD1 C 14.457 0.2 1
511 86 86 ILE N N 125.857 0.2 1
512 87 87 ALA H H 8.643 0.02 1
513 87 87 ALA HB H 1.426 0.02 1
514 87 87 ALA C C 177.065 0.2 1
515 87 87 ALA CA C 50.756 0.2 1
516 87 87 ALA CB C 22.377 0.2 1
517 87 87 ALA N N 127.905 0.2 1
518 88 88 GLY H H 8.632 0.02 1
519 88 88 GLY C C 173.696 0.2 1
520 88 88 GLY CA C 45.490 0.2 1
521 88 88 GLY N N 107.644 0.2 1
522 89 89 ILE H H 7.213 0.02 1
523 89 89 ILE HD1 H 0.670 0.02 1
524 89 89 ILE C C 174.538 0.2 1
525 89 89 ILE CA C 58.758 0.2 1
526 89 89 ILE CB C 39.830 0.2 1
527 89 89 ILE CD1 C 13.085 0.2 1
528 89 89 ILE N N 114.802 0.2 1
529 90 90 GLU H H 8.521 0.02 1
530 90 90 GLU C C 177.211 0.2 1
531 90 90 GLU CA C 54.994 0.2 1
532 90 90 GLU CB C 31.388 0.2 1
533 90 90 GLU N N 122.432 0.2 1
534 91 91 GLY H H 8.632 0.02 1
535 91 91 GLY C C 176.870 0.2 1
536 91 91 GLY CA C 46.738 0.2 1
537 91 91 GLY N N 109.129 0.2 1
538 92 92 THR HG2 H 1.396 0.02 1
539 92 92 THR C C 176.622 0.2 1
540 92 92 THR CB C 68.468 0.2 1
541 92 92 THR CG2 C 22.215 0.2 1
542 93 93 GLN H H 8.070 0.02 1
543 93 93 GLN C C 178.586 0.2 1
544 93 93 GLN CA C 57.993 0.2 1
545 93 93 GLN CB C 27.604 0.2 1
546 93 93 GLN N N 121.709 0.2 1
547 94 94 MET H H 7.092 0.02 1
548 94 94 MET HE H 1.710 0.02 1
549 94 94 MET C C 176.983 0.2 1
550 94 94 MET CA C 56.743 0.2 1
551 94 94 MET CB C 30.198 0.2 1
552 94 94 MET CE C 17.637 0.2 1
553 94 94 MET N N 121.740 0.2 1
554 95 95 ALA H H 7.908 0.02 1
555 95 95 ALA HB H 1.639 0.02 1
556 95 95 ALA C C 180.545 0.2 1
557 95 95 ALA CA C 54.970 0.2 1
558 95 95 ALA CB C 17.480 0.2 1
559 95 95 ALA N N 122.253 0.2 1
560 96 96 HIS H H 7.965 0.02 1
561 96 96 HIS HD2 H 7.029 0.02 1
562 96 96 HIS HE1 H 7.763 0.02 1
563 96 96 HIS C C 177.453 0.2 1
564 96 96 HIS CA C 59.258 0.2 1
565 96 96 HIS CB C 29.714 0.2 1
566 96 96 HIS CD2 C 119.253 0.2 1
567 96 96 HIS CE1 C 139.384 0.2 1
568 96 96 HIS N N 119.273 0.2 1
569 97 97 CYS H H 7.957 0.02 1
570 97 97 CYS C C 176.044 0.2 1
571 97 97 CYS CA C 61.722 0.2 1
572 97 97 CYS CB C 26.003 0.2 1
573 97 97 CYS N N 124.251 0.2 1
574 98 98 LEU H H 8.068 0.02 1
575 98 98 LEU HD1 H 0.274 0.02 2
576 98 98 LEU HD2 H 0.515 0.02 2
577 98 98 LEU C C 172.886 0.2 1
578 98 98 LEU CA C 57.248 0.2 1
579 98 98 LEU CB C 41.286 0.2 1
580 98 98 LEU CD1 C 21.630 0.2 2
581 98 98 LEU CD2 C 25.042 0.2 2
582 98 98 LEU N N 117.521 0.2 1
583 99 99 GLY H H 7.762 0.02 1
584 99 99 GLY C C 172.886 0.2 1
585 99 99 GLY CA C 44.752 0.2 1
586 99 99 GLY N N 102.530 0.2 1
587 100 100 ALA H H 7.535 0.02 1
588 100 100 ALA HB H 0.798 0.02 1
589 100 100 ALA C C 176.044 0.2 1
590 100 100 ALA CA C 52.991 0.2 1
591 100 100 ALA CB C 20.200 0.2 1
592 100 100 ALA N N 120.517 0.2 1
593 101 101 TYR H H 7.203 0.02 1
594 101 101 TYR HD1 H 7.245 0.02 3
595 101 101 TYR HE1 H 6.426 0.02 3
596 101 101 TYR C C 180.157 0.2 1
597 101 101 TYR CA C 61.534 0.2 1
598 101 101 TYR CD1 C 131.579 0.2 3
599 101 101 TYR CE1 C 116.427 0.2 3
600 101 101 TYR N N 122.129 0.2 1
601 102 102 CYS H H 8.639 0.02 1
602 102 102 CYS C C 175.364 0.2 1
603 102 102 CYS CA C 64.993 0.2 1
604 102 102 CYS CB C 25.275 0.2 1
605 102 102 CYS N N 114.905 0.2 1
606 105 105 ILE H H 7.291 0.02 1
607 105 105 ILE HD1 H 0.762 0.02 1
608 105 105 ILE C C 177.825 0.2 1
609 105 105 ILE CA C 62.773 0.2 1
610 105 105 ILE CB C 36.628 0.2 1
611 105 105 ILE CD1 C 13.717 0.2 1
612 105 105 ILE N N 119.950 0.2 1
613 106 106 LEU HD1 H 0.708 0.02 2
614 106 106 LEU HD2 H 0.827 0.02 2
615 106 106 LEU CD1 C 22.581 0.2 2
616 106 106 LEU CD2 C 25.525 0.2 2
617 107 107 PHE HD1 H 7.173 0.02 3
618 107 107 PHE HE1 H 7.296 0.02 3
619 107 107 PHE CD1 C 131.967 0.2 3
620 107 107 PHE CE1 C 130.589 0.2 3
621 108 108 PRO CA C 66.012 0.2 1
622 109 109 TYR H H 7.153 0.02 1
623 109 109 TYR HD1 H 7.351 0.02 3
624 109 109 TYR HE1 H 5.983 0.02 3
625 109 109 TYR C C 177.712 0.2 1
626 109 109 TYR CA C 60.746 0.2 1
627 109 109 TYR CB C 36.191 0.2 1
628 109 109 TYR CD1 C 131.316 0.2 3
629 109 109 TYR CE1 C 118.521 0.2 3
630 109 109 TYR N N 116.895 0.2 1
631 110 110 ALA H H 7.565 0.02 1
632 110 110 ALA HB H 1.292 0.02 1
633 110 110 ALA C C 178.559 0.2 1
634 110 110 ALA CA C 54.727 0.2 1
635 110 110 ALA CB C 17.568 0.2 1
636 110 110 ALA N N 124.632 0.2 1
637 111 111 ARG H H 8.557 0.02 1
638 111 111 ARG C C 178.035 0.2 1
639 111 111 ARG CA C 59.479 0.2 1
640 111 111 ARG CB C 28.186 0.2 1
641 111 111 ARG N N 116.117 0.2 1
642 112 112 GLU H H 6.702 0.02 1
643 112 112 GLU C C 176.335 0.2 1
644 112 112 GLU CA C 58.992 0.2 1
645 112 112 GLU CB C 28.113 0.2 1
646 112 112 GLU N N 118.859 0.2 1
647 113 113 CYS H H 7.233 0.02 1
648 113 113 CYS C C 176.798 0.2 1
649 113 113 CYS CA C 62.294 0.2 1
650 113 113 CYS CB C 26.003 0.2 1
651 113 113 CYS N N 120.275 0.2 1
652 114 114 ILE H H 7.890 0.02 1
653 114 114 ILE HD1 H 0.748 0.02 1
654 114 114 ILE C C 177.339 0.2 1
655 114 114 ILE CA C 64.732 0.2 1
656 114 114 ILE CB C 35.609 0.2 1
657 114 114 ILE CD1 C 12.614 0.2 1
658 114 114 ILE N N 119.107 0.2 1
659 115 115 THR H H 8.646 0.02 1
660 115 115 THR C C 177.069 0.2 1
661 115 115 THR CA C 66.500 0.2 1
662 115 115 THR CB C 68.432 0.2 1
663 115 115 THR N N 116.344 0.2 1
664 116 116 SER H H 8.356 0.02 1
665 116 116 SER C C 176.258 0.2 1
666 116 116 SER CA C 60.487 0.2 1
667 116 116 SER CB C 62.537 0.2 1
668 116 116 SER N N 117.693 0.2 1
669 117 117 MET H H 7.902 0.02 1
670 117 117 MET HE H 1.981 0.02 1
671 117 117 MET CA C 58.006 0.2 1
672 117 117 MET CB C 32.407 0.2 1
673 117 117 MET CE C 18.652 0.2 1
674 117 117 MET N N 120.866 0.2 1
675 118 118 VAL H H 7.876 0.02 1
676 118 118 VAL HG1 H 0.613 0.02 2
677 118 118 VAL HG2 H 0.591 0.02 2
678 118 118 VAL C C 178.548 0.2 1
679 118 118 VAL CA C 66.500 0.2 1
680 118 118 VAL CB C 29.961 0.2 1
681 118 118 VAL CG1 C 23.341 0.2 2
682 118 118 VAL CG2 C 24.212 0.2 2
683 118 118 VAL N N 119.020 0.2 1
684 119 119 SER H H 7.701 0.02 1
685 119 119 SER CA C 61.149 0.2 1
686 119 119 SER CB C 62.431 0.2 1
687 119 119 SER N N 114.027 0.2 1
688 120 120 ARG C C 179.430 0.2 1
689 121 121 GLY H H 7.966 0.02 1
690 121 121 GLY C C 172.146 0.2 1
691 121 121 GLY CA C 45.505 0.2 1
692 121 121 GLY N N 107.408 0.2 1
693 122 122 THR H H 7.862 0.02 1
694 122 122 THR HG2 H 1.143 0.02 1
695 122 122 THR C C 173.113 0.2 1
696 122 122 THR CA C 62.245 0.2 1
697 122 122 THR CB C 67.922 0.2 1
698 122 122 THR CG2 C 21.115 0.2 1
699 122 122 THR N N 112.286 0.2 1
700 123 123 PHE H H 7.114 0.02 1
701 123 123 PHE HD1 H 6.530 0.02 3
702 123 123 PHE HE1 H 7.455 0.02 3
703 123 123 PHE C C 172.174 0.2 1
704 123 123 PHE CA C 57.424 0.2 1
705 123 123 PHE CB C 37.720 0.2 1
706 123 123 PHE CD1 C 133.735 0.2 3
707 123 123 PHE CE1 C 130.680 0.2 3
708 123 123 PHE N N 119.139 0.2 1
709 124 124 PRO C C 174.506 0.2 1
710 124 124 PRO CA C 62.254 0.2 1
711 124 124 PRO CB C 30.988 0.2 1
712 125 125 GLN H H 7.566 0.02 1
713 125 125 GLN C C 175.574 0.2 1
714 125 125 GLN CA C 57.253 0.2 1
715 125 125 GLN CB C 28.695 0.2 1
716 125 125 GLN N N 118.403 0.2 1
717 126 126 LEU H H 7.601 0.02 1
718 126 126 LEU HD1 H 1.055 0.02 2
719 126 126 LEU HD2 H 0.991 0.02 2
720 126 126 LEU C C 174.749 0.2 1
721 126 126 LEU CA C 53.251 0.2 1
722 126 126 LEU CB C 42.537 0.2 1
723 126 126 LEU CD1 C 23.665 0.2 2
724 126 126 LEU CD2 C 26.448 0.2 2
725 126 126 LEU N N 127.803 0.2 1
726 127 127 ASN H H 8.939 0.02 1
727 127 127 ASN C C 174.230 0.2 1
728 127 127 ASN CA C 50.506 0.2 1
729 127 127 ASN CB C 39.321 0.2 1
730 127 127 ASN N N 126.780 0.2 1
731 128 128 LEU H H 8.235 0.02 1
732 128 128 LEU HD1 H 0.946 0.02 2
733 128 128 LEU HD2 H 0.845 0.02 2
734 128 128 LEU C C 176.239 0.2 1
735 128 128 LEU CA C 55.061 0.2 1
736 128 128 LEU CB C 41.723 0.2 1
737 128 128 LEU CD1 C 22.240 0.2 2
738 128 128 LEU CD2 C 26.679 0.2 2
739 128 128 LEU N N 121.930 0.2 1
740 129 129 ALA H H 8.453 0.02 1
741 129 129 ALA HB H 1.596 0.02 1
742 129 129 ALA C C 174.790 0.2 1
743 129 129 ALA CA C 50.492 0.2 1
744 129 129 ALA CB C 17.351 0.2 1
745 129 129 ALA N N 129.811 0.2 1
746 130 130 PRO C C 175.108 0.2 1
747 130 130 PRO CA C 63.464 0.2 1
748 131 131 VAL H H 6.799 0.02 1
749 131 131 VAL HG1 H -0.295 0.02 2
750 131 131 VAL HG2 H 0.252 0.02 2
751 131 131 VAL CA C 60.188 0.2 1
752 131 131 VAL CB C 38.811 0.2 1
753 131 131 VAL CG1 C 19.616 0.2 2
754 131 131 VAL CG2 C 21.065 0.2 2
755 131 131 VAL N N 122.601 0.2 1
756 132 132 ASN C C 175.973 0.2 1
757 132 132 ASN CA C 54.942 0.2 1
758 133 133 PHE H H 8.800 0.02 1
759 133 133 PHE HD1 H 7.096 0.02 3
760 133 133 PHE HE1 H 7.229 0.02 3
761 133 133 PHE C C 177.938 0.2 1
762 133 133 PHE CA C 62.301 0.2 1
763 133 133 PHE CB C 38.520 0.2 1
764 133 133 PHE CD1 C 134.263 0.2 3
765 133 133 PHE CE1 C 130.083 0.2 3
766 133 133 PHE N N 124.344 0.2 1
767 134 134 ASP H H 8.153 0.02 1
768 134 134 ASP C C 178.149 0.2 1
769 134 134 ASP CA C 57.846 0.2 1
770 134 134 ASP CB C 39.322 0.2 1
771 134 134 ASP N N 122.028 0.2 1
772 135 135 ALA H H 7.297 0.02 1
773 135 135 ALA HB H 1.403 0.02 1
774 135 135 ALA C C 180.254 0.2 1
775 135 135 ALA CA C 53.759 0.2 1
776 135 135 ALA CB C 18.035 0.2 1
777 135 135 ALA N N 122.446 0.2 1
778 136 136 LEU H H 7.324 0.02 1
779 136 136 LEU HD1 H 0.805 0.02 2
780 136 136 LEU HD2 H 0.638 0.02 2
781 136 136 LEU C C 179.250 0.2 1
782 136 136 LEU CA C 57.279 0.2 1
783 136 136 LEU CB C 40.995 0.2 1
784 136 136 LEU CD1 C 23.508 0.2 2
785 136 136 LEU CD2 C 24.809 0.2 2
786 136 136 LEU N N 118.722 0.2 1
787 137 137 PHE H H 8.138 0.02 1
788 137 137 PHE HD1 H 7.000 0.02 3
789 137 137 PHE HE1 H 7.101 0.02 3
790 137 137 PHE C C 176.840 0.2 1
791 137 137 PHE CA C 60.232 0.2 1
792 137 137 PHE CB C 38.739 0.2 1
793 137 137 PHE CD1 C 131.214 0.2 3
794 137 137 PHE CE1 C 130.490 0.2 3
795 137 137 PHE N N 120.795 0.2 1
796 138 138 MET H H 7.950 0.02 1
797 138 138 MET HE H 2.086 0.02 1
798 138 138 MET C C 178.262 0.2 1
799 138 138 MET CA C 57.245 0.2 1
800 138 138 MET CB C 30.806 0.2 1
801 138 138 MET CE C 16.805 0.2 1
802 138 138 MET N N 118.181 0.2 1
803 139 139 ASN H H 7.875 0.02 1
804 139 139 ASN C C 176.756 0.2 1
805 139 139 ASN CA C 55.232 0.2 1
806 139 139 ASN CB C 37.720 0.2 1
807 139 139 ASN N N 118.324 0.2 1
808 140 140 TYR H H 7.736 0.02 1
809 140 140 TYR HD1 H 7.028 0.02 3
810 140 140 TYR HE1 H 6.844 0.02 3
811 140 140 TYR C C 177.339 0.2 1
812 140 140 TYR CA C 59.722 0.2 1
813 140 140 TYR CB C 36.701 0.2 1
814 140 140 TYR CD1 C 133.249 0.2 3
815 140 140 TYR CE1 C 118.224 0.2 3
816 140 140 TYR N N 121.729 0.2 1
817 141 141 LEU H H 7.829 0.02 1
818 141 141 LEU HD1 H 0.728 0.02 2
819 141 141 LEU HD2 H 0.784 0.02 2
820 141 141 LEU C C 179.201 0.2 1
821 141 141 LEU CA C 56.294 0.2 1
822 141 141 LEU CB C 40.849 0.2 1
823 141 141 LEU CD1 C 22.771 0.2 2
824 141 141 LEU CD2 C 25.241 0.2 2
825 141 141 LEU N N 120.839 0.2 1
826 142 142 GLN H H 7.776 0.02 1
827 142 142 GLN C C 177.258 0.2 1
828 142 142 GLN CA C 56.827 0.2 1
829 142 142 GLN CB C 27.604 0.2 1
830 142 142 GLN N N 118.815 0.2 1
831 143 143 GLN H H 7.799 0.02 1
832 143 143 GLN C C 176.983 0.2 1
833 143 143 GLN CA C 56.483 0.2 1
834 143 143 GLN CB C 27.639 0.2 1
835 143 143 GLN N N 119.651 0.2 1
836 144 144 GLN H H 7.835 0.02 1
837 144 144 GLN C C 176.157 0.2 1
838 144 144 GLN CA C 55.744 0.2 1
839 144 144 GLN CB C 28.113 0.2 1
840 144 144 GLN N N 119.704 0.2 1
841 145 145 ALA H H 7.829 0.02 1
842 145 145 ALA HB H 1.391 0.02 1
843 145 145 ALA C C 178.262 0.2 1
844 145 145 ALA CA C 52.702 0.2 1
845 145 145 ALA CB C 18.927 0.2 1
846 145 145 ALA N N 124.024 0.2 1
847 146 146 GLY H H 7.974 0.02 1
848 146 146 GLY C C 174.165 0.2 1
849 146 146 GLY CA C 44.750 0.2 1
850 146 146 GLY N N 107.895 0.2 1
851 147 147 GLU H H 8.111 0.02 1
852 147 147 GLU C C 177.096 0.2 1
853 147 147 GLU CA C 56.212 0.2 1
854 147 147 GLU CB C 29.205 0.2 1
855 147 147 GLU N N 121.198 0.2 1
856 148 148 GLY H H 8.369 0.02 1
857 148 148 GLY C C 174.408 0.2 1
858 148 148 GLY CA C 44.992 0.2 1
859 148 148 GLY N N 110.506 0.2 1
860 149 149 THR H H 7.883 0.02 1
861 149 149 THR HG2 H 1.171 0.02 1
862 149 149 THR C C 174.570 0.2 1
863 149 149 THR CA C 61.240 0.2 1
864 149 149 THR CB C 69.160 0.2 1
865 149 149 THR CG2 C 21.446 0.2 1
866 149 149 THR N N 113.739 0.2 1
867 150 150 GLU H H 8.359 0.02 1
868 150 150 GLU C C 176.288 0.2 1
869 150 150 GLU CA C 56.016 0.2 1
870 150 150 GLU CB C 29.205 0.2 1
871 150 150 GLU N N 123.574 0.2 1
872 151 151 GLU H H 8.231 0.02 1
873 151 151 GLU C C 176.157 0.2 1
874 151 151 GLU CA C 55.994 0.2 1
875 151 151 GLU CB C 29.496 0.2 1
876 151 151 GLU N N 122.426 0.2 1
877 152 152 HIS HD2 H 7.109 0.02 1
878 152 152 HIS HE1 H 8.154 0.02 1
879 152 152 HIS CD2 C 120.005 0.2 1
880 152 152 HIS CE1 C 137.608 0.2 1
881 153 153 GLN C C 175.430 0.2 1
882 153 153 GLN CA C 55.243 0.2 1
883 153 153 GLN CB C 29.125 0.2 1
884 154 154 ASP H H 8.372 0.02 1
885 154 154 ASP CA C 54.273 0.2 1
886 154 154 ASP CB C 40.673 0.2 1
887 154 154 ASP N N 122.845 0.2 1
888 155 155 ALA H H 7.690 0.02 1
889 155 155 ALA HB H 1.296 0.02 1
890 155 155 ALA CB C 20.138 0.2 1
891 155 155 ALA N N 129.862 0.2 1
stop_
save_
save_assigned_chemical_shifts_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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, chain 2'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 MET HE H 2.004 0.02 1
2 1 1 MET CE C 16.935 0.2 1
3 2 2 SER H H 8.028 0.02 1
4 2 2 SER C C 174.344 0.2 1
5 2 2 SER CA C 61.744 0.2 1
6 2 2 SER CB C 69.087 0.2 1
7 2 2 SER N N 115.131 0.2 1
8 9 9 MET H H 7.939 0.02 1
9 9 9 MET HE H 1.645 0.02 1
10 9 9 MET C C 175.590 0.2 1
11 9 9 MET CA C 55.244 0.2 1
12 9 9 MET CB C 32.480 0.2 1
13 9 9 MET CE C 17.135 0.2 1
14 9 9 MET N N 120.990 0.2 1
15 10 10 THR H H 8.427 0.02 1
16 10 10 THR HG2 H 1.184 0.02 1
17 10 10 THR C C 172.661 0.2 1
18 10 10 THR CA C 61.726 0.2 1
19 10 10 THR CB C 70.179 0.2 1
20 10 10 THR CG2 C 21.586 0.2 1
21 10 10 THR N N 119.446 0.2 1
22 11 11 PHE H H 8.238 0.02 1
23 11 11 PHE HD1 H 6.617 0.02 3
24 11 11 PHE HE1 H 7.451 0.02 3
25 11 11 PHE HZ H 7.357 0.02 1
26 11 11 PHE C C 174.183 0.2 1
27 11 11 PHE CA C 57.494 0.2 1
28 11 11 PHE CB C 40.922 0.2 1
29 11 11 PHE CD1 C 130.272 0.2 3
30 11 11 PHE CE1 C 131.752 0.2 3
31 11 11 PHE N N 125.799 0.2 1
32 12 12 GLN H H 8.654 0.02 1
33 12 12 GLN C C 174.401 0.2 1
34 12 12 GLN CA C 54.036 0.2 1
35 12 12 GLN CB C 32.035 0.2 1
36 12 12 GLN N N 126.548 0.2 1
37 13 13 ILE H H 8.761 0.02 1
38 13 13 ILE HD1 H 1.048 0.02 1
39 13 13 ILE C C 175.705 0.2 1
40 13 13 ILE CA C 61.240 0.2 1
41 13 13 ILE CB C 37.210 0.2 1
42 13 13 ILE CD1 C 13.779 0.2 1
43 13 13 ILE N N 125.652 0.2 1
44 14 14 GLN H H 8.791 0.02 1
45 14 14 GLN C C 176.497 0.2 1
46 14 14 GLN CA C 56.739 0.2 1
47 14 14 GLN CB C 28.113 0.2 1
48 14 14 GLN N N 126.216 0.2 1
49 15 15 ARG H H 7.099 0.02 1
50 15 15 ARG C C 173.361 0.2 1
51 15 15 ARG CA C 56.097 0.2 1
52 15 15 ARG CB C 34.636 0.2 1
53 15 15 ARG N N 118.642 0.2 1
54 16 16 ILE H H 8.400 0.02 1
55 16 16 ILE HD1 H 0.315 0.02 1
56 16 16 ILE C C 174.458 0.2 1
57 16 16 ILE CA C 60.712 0.2 1
58 16 16 ILE CB C 41.504 0.2 1
59 16 16 ILE CD1 C 11.897 0.2 1
60 16 16 ILE N N 127.395 0.2 1
61 17 17 TYR HD1 H 7.143 0.02 3
62 17 17 TYR HE1 H 6.809 0.02 3
63 17 17 TYR C C 172.951 0.2 1
64 17 17 TYR CA C 55.093 0.2 1
65 17 17 TYR CB C 40.035 0.2 1
66 17 17 TYR CD1 C 131.940 0.2 3
67 17 17 TYR CE1 C 118.242 0.2 3
68 18 18 THR H H 8.335 0.02 1
69 18 18 THR HG2 H 1.241 0.02 1
70 18 18 THR C C 174.087 0.2 1
71 18 18 THR CA C 61.232 0.2 1
72 18 18 THR CB C 68.577 0.2 1
73 18 18 THR CG2 C 21.539 0.2 1
74 18 18 THR N N 117.129 0.2 1
75 19 19 LYS H H 8.461 0.02 1
76 19 19 LYS C C 174.522 0.2 1
77 19 19 LYS CA C 57.250 0.2 1
78 19 19 LYS CB C 32.989 0.2 1
79 19 19 LYS N N 123.501 0.2 1
80 20 20 ASP H H 7.270 0.02 1
81 20 20 ASP C C 174.635 0.2 1
82 20 20 ASP CA C 53.493 0.2 1
83 20 20 ASP CB C 44.051 0.2 1
84 20 20 ASP N N 115.986 0.2 1
85 21 21 ILE H H 9.389 0.02 1
86 21 21 ILE HD1 H 0.733 0.02 1
87 21 21 ILE C C 175.283 0.2 1
88 21 21 ILE CA C 60.993 0.2 1
89 21 21 ILE CB C 42.741 0.2 1
90 21 21 ILE CD1 C 14.558 0.2 1
91 21 21 ILE N N 124.744 0.2 1
92 22 22 SER H H 9.311 0.02 1
93 22 22 SER C C 172.935 0.2 1
94 22 22 SER CA C 57.211 0.2 1
95 22 22 SER CB C 64.793 0.2 1
96 22 22 SER N N 121.789 0.2 1
97 23 23 PHE H H 9.236 0.02 1
98 23 23 PHE HD1 H 6.087 0.02 3
99 23 23 PHE HE1 H 6.985 0.02 3
100 23 23 PHE C C 174.406 0.2 1
101 23 23 PHE CA C 56.995 0.2 1
102 23 23 PHE CB C 42.086 0.2 1
103 23 23 PHE CD1 C 132.374 0.2 3
104 23 23 PHE CE1 C 130.257 0.2 3
105 23 23 PHE N N 126.614 0.2 1
106 24 24 GLU H H 8.152 0.02 1
107 24 24 GLU CA C 55.142 0.2 1
108 24 24 GLU CB C 33.364 0.2 1
109 24 24 GLU N N 125.260 0.2 1
110 25 25 ALA H H 7.897 0.02 1
111 25 25 ALA HB H 1.713 0.02 1
112 25 25 ALA C C 175.316 0.2 1
113 25 25 ALA CA C 48.551 0.2 1
114 25 25 ALA CB C 19.835 0.2 1
115 25 25 ALA N N 125.746 0.2 1
116 26 26 PRO C C 177.381 0.2 1
117 27 27 ASN H H 9.029 0.02 1
118 27 27 ASN C C 175.785 0.2 1
119 27 27 ASN CA C 51.490 0.2 1
120 27 27 ASN CB C 38.302 0.2 1
121 27 27 ASN N N 114.703 0.2 1
122 28 28 ALA H H 7.409 0.02 1
123 28 28 ALA HB H 1.154 0.02 1
124 28 28 ALA C C 175.575 0.2 1
125 28 28 ALA CA C 50.744 0.2 1
126 28 28 ALA CB C 18.004 0.2 1
127 28 28 ALA N N 124.439 0.2 1
128 29 29 PRO C C 174.506 0.2 1
129 29 29 PRO CA C 62.254 0.2 1
130 29 29 PRO CB C 30.988 0.2 1
131 30 30 HIS H H 7.632 0.02 1
132 30 30 HIS HD2 H 6.993 0.02 1
133 30 30 HIS HE1 H 7.826 0.02 1
134 30 30 HIS C C 178.802 0.2 1
135 30 30 HIS CA C 59.161 0.2 1
136 30 30 HIS CB C 28.939 0.2 1
137 30 30 HIS CD2 C 119.863 0.2 1
138 30 30 HIS CE1 C 138.452 0.2 1
139 30 30 HIS N N 118.421 0.2 1
140 31 31 VAL H H 7.707 0.02 1
141 31 31 VAL HG1 H 0.429 0.02 2
142 31 31 VAL HG2 H 1.113 0.02 2
143 31 31 VAL C C 175.935 0.2 1
144 31 31 VAL CA C 62.984 0.2 1
145 31 31 VAL CB C 30.973 0.2 1
146 31 31 VAL CG1 C 19.010 0.2 2
147 31 31 VAL CG2 C 21.755 0.2 2
148 31 31 VAL N N 116.197 0.2 1
149 32 32 PHE H H 6.910 0.02 1
150 32 32 PHE HD1 H 6.799 0.02 3
151 32 32 PHE HE1 H 7.017 0.02 3
152 32 32 PHE C C 176.611 0.2 1
153 32 32 PHE CA C 56.744 0.2 1
154 32 32 PHE CB C 36.191 0.2 1
155 32 32 PHE CD1 C 132.954 0.2 3
156 32 32 PHE CE1 C 130.974 0.2 3
157 32 32 PHE N N 119.426 0.2 1
158 33 33 GLN H H 7.405 0.02 1
159 33 33 GLN C C 176.270 0.2 1
160 33 33 GLN CA C 55.394 0.2 1
161 33 33 GLN CB C 28.259 0.2 1
162 33 33 GLN N N 114.878 0.2 1
163 34 34 LYS H H 7.090 0.02 1
164 34 34 LYS C C 176.513 0.2 1
165 34 34 LYS CA C 55.213 0.2 1
166 34 34 LYS CB C 32.407 0.2 1
167 34 34 LYS N N 119.111 0.2 1
168 35 35 ASP H H 8.460 0.02 1
169 35 35 ASP C C 176.733 0.2 1
170 35 35 ASP CA C 54.874 0.2 1
171 35 35 ASP CB C 40.265 0.2 1
172 35 35 ASP N N 122.772 0.2 1
173 36 36 TRP H H 8.633 0.02 1
174 36 36 TRP HD1 H 7.267 0.02 1
175 36 36 TRP HE1 H 10.312 0.02 1
176 36 36 TRP HE3 H 7.982 0.02 1
177 36 36 TRP HZ3 H 6.957 0.02 1
178 36 36 TRP C C 173.810 0.2 1
179 36 36 TRP CA C 56.087 0.2 1
180 36 36 TRP CB C 27.676 0.2 1
181 36 36 TRP CD1 C 128.561 0.2 1
182 36 36 TRP CE3 C 122.168 0.2 1
183 36 36 TRP CZ3 C 121.039 0.2 1
184 36 36 TRP N N 126.043 0.2 1
185 36 36 TRP NE1 N 131.275 0.2 1
186 37 37 GLN H H 6.275 0.02 1
187 37 37 GLN C C 172.239 0.2 1
188 37 37 GLN CA C 52.252 0.2 1
189 37 37 GLN CB C 27.895 0.2 1
190 37 37 GLN N N 125.936 0.2 1
191 38 38 PRO C C 176.823 0.2 1
192 38 38 PRO CA C 62.411 0.2 1
193 38 38 PRO CB C 30.880 0.2 1
194 39 39 GLU H H 8.453 0.02 1
195 39 39 GLU C C 175.704 0.2 1
196 39 39 GLU CA C 55.247 0.2 1
197 39 39 GLU CB C 30.296 0.2 1
198 39 39 GLU N N 121.078 0.2 1
199 40 40 VAL H H 8.597 0.02 1
200 40 40 VAL HG1 H 0.730 0.02 2
201 40 40 VAL HG2 H 0.771 0.02 2
202 40 40 VAL C C 174.960 0.2 1
203 40 40 VAL CA C 61.244 0.2 1
204 40 40 VAL CB C 32.407 0.2 1
205 40 40 VAL CG1 C 20.914 0.2 2
206 40 40 VAL CG2 C 21.184 0.2 2
207 40 40 VAL N N 127.618 0.2 1
208 41 41 LYS H H 8.714 0.02 1
209 41 41 LYS C C 174.030 0.2 1
210 41 41 LYS CA C 54.493 0.2 1
211 41 41 LYS CB C 33.499 0.2 1
212 41 41 LYS N N 129.788 0.2 1
213 42 42 LEU H H 8.434 0.02 1
214 42 42 LEU HD1 H 0.860 0.02 2
215 42 42 LEU HD2 H 0.938 0.02 2
216 42 42 LEU C C 174.821 0.2 1
217 42 42 LEU CA C 53.502 0.2 1
218 42 42 LEU CB C 44.051 0.2 1
219 42 42 LEU CD1 C 25.694 0.2 2
220 42 42 LEU CD2 C 25.855 0.2 2
221 42 42 LEU N N 128.307 0.2 1
222 43 43 ASP H H 9.135 0.02 1
223 43 43 ASP C C 173.842 0.2 1
224 43 43 ASP CA C 53.245 0.2 1
225 43 43 ASP CB C 44.529 0.2 1
226 43 43 ASP N N 127.026 0.2 1
227 44 44 LEU H H 8.306 0.02 1
228 44 44 LEU HD1 H 0.842 0.02 2
229 44 44 LEU HD2 H 0.980 0.02 2
230 44 44 LEU C C 175.509 0.2 1
231 44 44 LEU CA C 53.745 0.2 1
232 44 44 LEU CB C 45.143 0.2 1
233 44 44 LEU CD1 C 26.261 0.2 2
234 44 44 LEU CD2 C 26.804 0.2 2
235 44 44 LEU N N 121.822 0.2 1
236 45 45 ASP H H 8.815 0.02 1
237 45 45 ASP C C 174.068 0.2 1
238 45 45 ASP CA C 53.493 0.2 1
239 45 45 ASP CB C 44.124 0.2 1
240 45 45 ASP N N 120.295 0.2 1
241 46 46 THR H H 8.336 0.02 1
242 46 46 THR HG2 H 1.111 0.02 1
243 46 46 THR C C 172.174 0.2 1
244 46 46 THR CA C 59.490 0.2 1
245 46 46 THR CB C 70.615 0.2 1
246 46 46 THR CG2 C 20.753 0.2 1
247 46 46 THR N N 114.580 0.2 1
248 47 47 ALA H H 8.486 0.02 1
249 47 47 ALA HB H 1.434 0.02 1
250 47 47 ALA C C 175.365 0.2 1
251 47 47 ALA CA C 50.985 0.2 1
252 47 47 ALA CB C 22.904 0.2 1
253 47 47 ALA N N 126.322 0.2 1
254 48 48 SER H H 8.445 0.02 1
255 48 48 SER C C 173.923 0.2 1
256 48 48 SER CA C 56.739 0.2 1
257 48 48 SER CB C 66.904 0.2 1
258 48 48 SER N N 113.399 0.2 1
259 49 49 SER H H 9.134 0.02 1
260 49 49 SER C C 172.530 0.2 1
261 49 49 SER CA C 57.409 0.2 1
262 49 49 SER CB C 65.302 0.2 1
263 49 49 SER N N 114.664 0.2 1
264 50 50 GLN H H 8.832 0.02 1
265 50 50 GLN C C 175.591 0.2 1
266 50 50 GLN CA C 55.746 0.2 1
267 50 50 GLN CB C 28.113 0.2 1
268 50 50 GLN N N 125.426 0.2 1
269 51 51 LEU H H 8.782 0.02 1
270 51 51 LEU HD1 H 0.754 0.02 2
271 51 51 LEU HD2 H 0.718 0.02 2
272 51 51 LEU C C 176.579 0.2 1
273 51 51 LEU CA C 55.247 0.2 1
274 51 51 LEU CB C 41.941 0.2 1
275 51 51 LEU CD1 C 26.174 0.2 2
276 51 51 LEU CD2 C 22.304 0.2 2
277 51 51 LEU N N 128.889 0.2 1
278 52 52 ALA H H 8.067 0.02 1
279 52 52 ALA HB H 1.344 0.02 1
280 52 52 ALA C C 176.417 0.2 1
281 52 52 ALA CA C 50.471 0.2 1
282 52 52 ALA CB C 20.370 0.2 1
283 52 52 ALA N N 120.947 0.2 1
284 53 53 ASP H H 8.330 0.02 1
285 53 53 ASP C C 175.882 0.2 1
286 53 53 ASP CA C 57.247 0.2 1
287 53 53 ASP CB C 39.321 0.2 1
288 53 53 ASP N N 120.003 0.2 1
289 54 54 ASP H H 8.272 0.02 1
290 54 54 ASP C C 174.295 0.2 1
291 54 54 ASP CA C 53.990 0.2 1
292 54 54 ASP CB C 39.539 0.2 1
293 54 54 ASP N N 115.748 0.2 1
294 55 55 VAL H H 7.164 0.02 1
295 55 55 VAL HG1 H 0.757 0.02 2
296 55 55 VAL HG2 H 0.847 0.02 2
297 55 55 VAL C C 174.522 0.2 1
298 55 55 VAL CA C 61.742 0.2 1
299 55 55 VAL CB C 33.426 0.2 1
300 55 55 VAL CG1 C 22.446 0.2 2
301 55 55 VAL CG2 C 20.909 0.2 2
302 55 55 VAL N N 118.775 0.2 1
303 56 56 TYR H H 9.182 0.02 1
304 56 56 TYR HD1 H 7.036 0.02 3
305 56 56 TYR HE1 H 6.916 0.02 3
306 56 56 TYR C C 174.975 0.2 1
307 56 56 TYR CA C 56.497 0.2 1
308 56 56 TYR CB C 41.504 0.2 1
309 56 56 TYR CD1 C 131.918 0.2 3
310 56 56 TYR CE2 C 117.545 0.2 3
311 56 56 TYR N N 126.262 0.2 1
312 57 57 GLU H H 9.229 0.02 1
313 57 57 GLU C C 176.254 0.2 1
314 57 57 GLU CA C 53.996 0.2 1
315 57 57 GLU CB C 31.315 0.2 1
316 57 57 GLU N N 122.851 0.2 1
317 58 58 VAL H H 9.090 0.02 1
318 58 58 VAL HG1 H 0.812 0.02 2
319 58 58 VAL HG2 H 1.043 0.02 2
320 58 58 VAL C C 173.712 0.2 1
321 58 58 VAL CA C 61.055 0.2 1
322 58 58 VAL CB C 33.950 0.2 1
323 58 58 VAL CG1 C 20.555 0.2 2
324 58 58 VAL CG2 C 22.000 0.2 2
325 58 58 VAL N N 128.424 0.2 1
326 59 59 VAL H H 8.911 0.02 1
327 59 59 VAL HG1 H 0.817 0.02 2
328 59 59 VAL HG2 H 0.755 0.02 2
329 59 59 VAL C C 174.538 0.2 1
330 59 59 VAL CA C 59.772 0.2 1
331 59 59 VAL CB C 33.513 0.2 1
332 59 59 VAL CG1 C 21.207 0.2 2
333 59 59 VAL CG2 C 21.358 0.2 2
334 59 59 VAL N N 124.198 0.2 1
335 60 60 LEU H H 9.109 0.02 1
336 60 60 LEU HD1 H 1.098 0.02 2
337 60 60 LEU HD2 H 1.004 0.02 2
338 60 60 LEU C C 173.262 0.2 1
339 60 60 LEU CA C 52.745 0.2 1
340 60 60 LEU CB C 44.706 0.2 1
341 60 60 LEU CD1 C 23.978 0.2 2
342 60 60 LEU CD2 C 27.453 0.2 2
343 60 60 LEU N N 130.154 0.2 1
344 61 61 ARG H H 9.400 0.02 1
345 61 61 ARG C C 174.975 0.2 1
346 61 61 ARG CA C 54.246 0.2 1
347 61 61 ARG CB C 30.806 0.2 1
348 61 61 ARG N N 131.104 0.2 1
349 62 62 VAL H H 8.931 0.02 1
350 62 62 VAL HG1 H 1.015 0.02 2
351 62 62 VAL HG2 H 0.948 0.02 2
352 62 62 VAL C C 174.214 0.2 1
353 62 62 VAL CA C 60.745 0.2 1
354 62 62 VAL CB C 33.353 0.2 1
355 62 62 VAL CG1 C 21.183 0.2 2
356 62 62 VAL CG2 C 22.189 0.2 2
357 62 62 VAL N N 126.722 0.2 1
358 63 63 THR H H 9.030 0.02 1
359 63 63 THR HG2 H 1.071 0.02 1
360 63 63 THR C C 173.777 0.2 1
361 63 63 THR CA C 61.734 0.2 1
362 63 63 THR CB C 69.596 0.2 1
363 63 63 THR CG2 C 20.862 0.2 1
364 63 63 THR N N 124.158 0.2 1
365 64 64 VAL H H 9.547 0.02 1
366 64 64 VAL HG1 H 0.978 0.02 2
367 64 64 VAL HG2 H 1.064 0.02 2
368 64 64 VAL C C 174.246 0.2 1
369 64 64 VAL CA C 59.992 0.2 1
370 64 64 VAL CB C 34.445 0.2 1
371 64 64 VAL CG1 C 21.681 0.2 2
372 64 64 VAL CG2 C 22.916 0.2 2
373 64 64 VAL N N 126.692 0.2 1
374 65 65 THR H H 8.512 0.02 1
375 65 65 THR HG2 H 1.091 0.02 1
376 65 65 THR C C 172.870 0.2 1
377 65 65 THR CA C 60.739 0.2 1
378 65 65 THR CB C 69.960 0.2 1
379 65 65 THR CG2 C 20.964 0.2 1
380 65 65 THR N N 121.842 0.2 1
381 66 66 ALA H H 8.190 0.02 1
382 66 66 ALA HB H 0.213 0.02 1
383 66 66 ALA C C 175.818 0.2 1
384 66 66 ALA CA C 48.998 0.2 1
385 66 66 ALA CB C 19.966 0.2 1
386 66 66 ALA N N 127.905 0.2 1
387 67 67 SER H H 8.727 0.02 1
388 67 67 SER C C 172.077 0.2 1
389 67 67 SER CA C 57.008 0.2 1
390 67 67 SER CB C 64.720 0.2 1
391 67 67 SER N N 119.545 0.2 1
392 68 68 LEU H H 8.627 0.02 1
393 68 68 LEU HD1 H 0.479 0.02 2
394 68 68 LEU HD2 H 0.971 0.02 2
395 68 68 LEU C C 176.643 0.2 1
396 68 68 LEU CA C 52.243 0.2 1
397 68 68 LEU CB C 40.995 0.2 1
398 68 68 LEU CD1 C 22.636 0.2 2
399 68 68 LEU CD2 C 26.001 0.2 2
400 68 68 LEU N N 124.437 0.2 1
401 69 69 GLY H H 8.653 0.02 1
402 69 69 GLY C C 175.007 0.2 1
403 69 69 GLY CA C 46.498 0.2 1
404 69 69 GLY N N 116.100 0.2 1
405 70 70 GLU H H 8.821 0.02 1
406 70 70 GLU C C 175.939 0.2 1
407 70 70 GLU CA C 56.225 0.2 1
408 70 70 GLU CB C 28.360 0.2 1
409 70 70 GLU N N 125.299 0.2 1
410 71 71 GLU H H 7.585 0.02 1
411 71 71 GLU C C 175.688 0.2 1
412 71 71 GLU CA C 54.478 0.2 1
413 71 71 GLU CB C 31.024 0.2 1
414 71 71 GLU N N 120.136 0.2 1
415 72 72 THR H H 8.637 0.02 1
416 72 72 THR HG2 H 0.907 0.02 1
417 72 72 THR C C 174.149 0.2 1
418 72 72 THR CA C 63.993 0.2 1
419 72 72 THR CB C 68.068 0.2 1
420 72 72 THR CG2 C 21.929 0.2 1
421 72 72 THR N N 122.499 0.2 1
422 73 73 ALA H H 9.460 0.02 1
423 73 73 ALA HB H 1.239 0.02 1
424 73 73 ALA C C 176.517 0.2 1
425 73 73 ALA CA C 52.995 0.2 1
426 73 73 ALA CB C 18.904 0.2 1
427 73 73 ALA N N 132.722 0.2 1
428 74 74 PHE H H 7.239 0.02 1
429 74 74 PHE HD1 H 7.342 0.02 3
430 74 74 PHE HE1 H 7.283 0.02 3
431 74 74 PHE C C 171.818 0.2 1
432 74 74 PHE CA C 56.243 0.2 1
433 74 74 PHE CB C 39.903 0.2 1
434 74 74 PHE CD1 C 132.110 0.2 3
435 74 74 PHE CE1 C 131.283 0.2 3
436 74 74 PHE N N 108.708 0.2 1
437 75 75 LEU H H 8.369 0.02 1
438 75 75 LEU HD1 H 0.822 0.02 2
439 75 75 LEU C C 175.891 0.2 1
440 75 75 LEU CA C 53.770 0.2 1
441 75 75 LEU CB C 44.197 0.2 1
442 75 75 LEU CD1 C 25.172 0.2 2
443 75 75 LEU N N 121.098 0.2 1
444 76 76 CYS H H 9.425 0.02 1
445 76 76 CYS C C 171.818 0.2 1
446 76 76 CYS CA C 56.247 0.2 1
447 76 76 CYS CB C 29.714 0.2 1
448 76 76 CYS N N 123.893 0.2 1
449 77 77 GLU H H 9.616 0.02 1
450 77 77 GLU C C 174.280 0.2 1
451 77 77 GLU CA C 54.513 0.2 1
452 77 77 GLU CB C 32.844 0.2 1
453 77 77 GLU N N 128.601 0.2 1
454 78 78 VAL H H 8.910 0.02 1
455 78 78 VAL HG1 H 1.147 0.02 2
456 78 78 VAL HG2 H 1.155 0.02 2
457 78 78 VAL C C 174.052 0.2 1
458 78 78 VAL CA C 59.244 0.2 1
459 78 78 VAL CB C 35.609 0.2 1
460 78 78 VAL CG1 C 20.929 0.2 2
461 78 78 VAL CG2 C 22.780 0.2 2
462 78 78 VAL N N 123.287 0.2 1
463 79 79 GLN H H 8.805 0.02 1
464 79 79 GLN C C 173.939 0.2 1
465 79 79 GLN CA C 54.999 0.2 1
466 79 79 GLN CB C 28.768 0.2 1
467 79 79 GLN N N 124.019 0.2 1
468 80 80 GLN H H 9.468 0.02 1
469 80 80 GLN C C 173.113 0.2 1
470 80 80 GLN CA C 53.749 0.2 1
471 80 80 GLN CB C 29.278 0.2 1
472 80 80 GLN N N 129.130 0.2 1
473 81 81 GLY H H 9.332 0.02 1
474 81 81 GLY CA C 42.994 0.2 1
475 81 81 GLY N N 116.406 0.2 1
476 82 82 GLY H H 8.508 0.02 1
477 82 82 GLY C C 171.764 0.2 1
478 82 82 GLY CA C 44.992 0.2 1
479 82 82 GLY N N 105.997 0.2 1
480 83 83 ILE H H 8.194 0.02 1
481 83 83 ILE HD1 H 0.736 0.02 1
482 83 83 ILE C C 177.800 0.2 1
483 83 83 ILE CA C 59.239 0.2 1
484 83 83 ILE CB C 38.811 0.2 1
485 83 83 ILE CD1 C 13.139 0.2 1
486 83 83 ILE N N 121.028 0.2 1
487 84 84 PHE H H 9.489 0.02 1
488 84 84 PHE HD1 H 6.957 0.02 3
489 84 84 PHE HE1 H 7.201 0.02 3
490 84 84 PHE C C 176.772 0.2 1
491 84 84 PHE CA C 55.266 0.2 1
492 84 84 PHE CB C 41.868 0.2 1
493 84 84 PHE CD1 C 132.140 0.2 3
494 84 84 PHE CE1 C 130.699 0.2 3
495 84 84 PHE N N 125.844 0.2 1
496 85 85 SER H H 9.010 0.02 1
497 85 85 SER C C 174.103 0.2 1
498 85 85 SER CA C 56.533 0.2 1
499 85 85 SER CB C 62.755 0.2 1
500 85 85 SER N N 120.747 0.2 1
501 86 86 ILE H H 8.385 0.02 1
502 86 86 ILE HD1 H 0.604 0.02 1
503 86 86 ILE C C 174.053 0.2 1
504 86 86 ILE CA C 60.308 0.2 1
505 86 86 ILE CB C 40.922 0.2 1
506 86 86 ILE CD1 C 14.679 0.2 1
507 86 86 ILE N N 125.778 0.2 1
508 87 87 ALA H H 8.680 0.02 1
509 87 87 ALA HB H 1.426 0.02 1
510 87 87 ALA C C 177.097 0.2 1
511 87 87 ALA CA C 50.756 0.2 1
512 87 87 ALA CB C 22.377 0.2 1
513 87 87 ALA N N 127.690 0.2 1
514 88 88 GLY H H 8.632 0.02 1
515 88 88 GLY C C 173.696 0.2 1
516 88 88 GLY CA C 45.490 0.2 1
517 88 88 GLY N N 107.644 0.2 1
518 89 89 ILE H H 7.052 0.02 1
519 89 89 ILE HD1 H 0.670 0.02 1
520 89 89 ILE C C 174.267 0.2 1
521 89 89 ILE CA C 58.823 0.2 1
522 89 89 ILE CB C 40.922 0.2 1
523 89 89 ILE CD1 C 14.148 0.2 1
524 89 89 ILE N N 111.844 0.2 1
525 90 90 GLU H H 8.557 0.02 1
526 90 90 GLU C C 177.080 0.2 1
527 90 90 GLU CA C 54.500 0.2 1
528 90 90 GLU CB C 31.898 0.2 1
529 90 90 GLU N N 120.176 0.2 1
530 91 91 GLY H H 8.652 0.02 1
531 91 91 GLY CA C 46.567 0.2 1
532 91 91 GLY N N 108.806 0.2 1
533 92 92 THR HG2 H 1.396 0.02 1
534 92 92 THR C C 176.622 0.2 1
535 92 92 THR CA C 64.969 0.2 1
536 92 92 THR CB C 68.468 0.2 1
537 92 92 THR CG2 C 22.215 0.2 1
538 93 93 GLN H H 8.070 0.02 1
539 93 93 GLN C C 178.586 0.2 1
540 93 93 GLN CA C 57.993 0.2 1
541 93 93 GLN CB C 27.604 0.2 1
542 93 93 GLN N N 121.709 0.2 1
543 94 94 MET H H 7.296 0.02 1
544 94 94 MET HE H 1.773 0.02 1
545 94 94 MET C C 176.983 0.2 1
546 94 94 MET CA C 56.743 0.2 1
547 94 94 MET CB C 30.198 0.2 1
548 94 94 MET CE C 17.956 0.2 1
549 94 94 MET N N 121.415 0.2 1
550 95 95 ALA H H 7.946 0.02 1
551 95 95 ALA HB H 1.639 0.02 1
552 95 95 ALA C C 179.962 0.2 1
553 95 95 ALA CA C 54.941 0.2 1
554 95 95 ALA CB C 17.480 0.2 1
555 95 95 ALA N N 122.598 0.2 1
556 96 96 HIS H H 8.062 0.02 1
557 96 96 HIS HD2 H 7.029 0.02 1
558 96 96 HIS HE1 H 7.763 0.02 1
559 96 96 HIS C C 176.978 0.2 1
560 96 96 HIS CA C 59.016 0.2 1
561 96 96 HIS CD2 C 119.253 0.2 1
562 96 96 HIS CE1 C 139.384 0.2 1
563 96 96 HIS N N 118.868 0.2 1
564 97 97 CYS H H 7.945 0.02 1
565 97 97 CYS C C 176.405 0.2 1
566 97 97 CYS CA C 61.729 0.2 1
567 97 97 CYS N N 123.952 0.2 1
568 98 98 LEU H H 7.947 0.02 1
569 98 98 LEU HD1 H 0.300 0.02 2
570 98 98 LEU HD2 H 0.480 0.02 2
571 98 98 LEU C C 177.906 0.2 1
572 98 98 LEU CA C 57.013 0.2 1
573 98 98 LEU CB C 40.922 0.2 1
574 98 98 LEU CD1 C 21.949 0.2 2
575 98 98 LEU CD2 C 25.102 0.2 2
576 98 98 LEU N N 117.377 0.2 1
577 99 99 GLY H H 7.713 0.02 1
578 99 99 GLY C C 172.886 0.2 1
579 99 99 GLY CA C 44.786 0.2 1
580 99 99 GLY N N 102.317 0.2 1
581 100 100 ALA H H 7.535 0.02 1
582 100 100 ALA HB H 0.798 0.02 1
583 100 100 ALA C C 176.044 0.2 1
584 100 100 ALA CA C 52.991 0.2 1
585 100 100 ALA CB C 20.200 0.2 1
586 100 100 ALA N N 120.517 0.2 1
587 101 101 TYR H H 7.203 0.02 1
588 101 101 TYR HD1 H 7.245 0.02 3
589 101 101 TYR HE1 H 6.426 0.02 3
590 101 101 TYR C C 180.157 0.2 1
591 101 101 TYR CA C 61.534 0.2 1
592 101 101 TYR CD1 C 131.579 0.2 3
593 101 101 TYR CE1 C 116.427 0.2 3
594 101 101 TYR N N 122.129 0.2 1
595 102 102 CYS H H 8.560 0.02 1
596 102 102 CYS C C 175.364 0.2 1
597 102 102 CYS CA C 65.301 0.2 1
598 102 102 CYS CB C 25.566 0.2 1
599 102 102 CYS N N 115.256 0.2 1
600 105 105 ILE H H 7.291 0.02 1
601 105 105 ILE HD1 H 0.814 0.02 1
602 105 105 ILE CA C 62.773 0.2 1
603 105 105 ILE CB C 36.628 0.2 1
604 105 105 ILE CD1 C 14.880 0.2 1
605 105 105 ILE N N 119.950 0.2 1
606 106 106 LEU HD1 H 0.597 0.02 2
607 106 106 LEU HD2 H 0.778 0.02 2
608 106 106 LEU CD1 C 22.745 0.2 2
609 106 106 LEU CD2 C 25.541 0.2 2
610 107 107 PHE HD1 H 7.173 0.02 3
611 107 107 PHE HE1 H 7.296 0.02 3
612 107 107 PHE CD1 C 131.967 0.2 3
613 107 107 PHE CE1 C 130.589 0.2 3
614 108 108 PRO C C 179.330 0.2 1
615 108 108 PRO CA C 66.012 0.2 1
616 109 109 TYR H H 7.153 0.02 1
617 109 109 TYR HD1 H 7.443 0.02 3
618 109 109 TYR HE1 H 6.050 0.02 3
619 109 109 TYR C C 177.712 0.2 1
620 109 109 TYR CA C 60.746 0.2 1
621 109 109 TYR CB C 36.191 0.2 1
622 109 109 TYR CD1 C 131.821 0.2 3
623 109 109 TYR CE1 C 118.338 0.2 3
624 109 109 TYR N N 116.895 0.2 1
625 110 110 ALA H H 7.381 0.02 1
626 110 110 ALA HB H 1.292 0.02 1
627 110 110 ALA C C 178.384 0.2 1
628 110 110 ALA CA C 54.478 0.2 1
629 110 110 ALA CB C 17.568 0.2 1
630 110 110 ALA N N 123.375 0.2 1
631 111 111 ARG H H 8.589 0.02 1
632 111 111 ARG C C 178.035 0.2 1
633 111 111 ARG CA C 58.585 0.2 1
634 111 111 ARG CB C 29.288 0.2 1
635 111 111 ARG N N 116.850 0.2 1
636 112 112 GLU H H 6.702 0.02 1
637 112 112 GLU C C 176.335 0.2 1
638 112 112 GLU CA C 58.992 0.2 1
639 112 112 GLU CB C 28.113 0.2 1
640 112 112 GLU N N 118.859 0.2 1
641 113 113 CYS H H 7.233 0.02 1
642 113 113 CYS C C 176.798 0.2 1
643 113 113 CYS CA C 62.294 0.2 1
644 113 113 CYS CB C 26.003 0.2 1
645 113 113 CYS N N 120.275 0.2 1
646 114 114 ILE H H 7.890 0.02 1
647 114 114 ILE HD1 H 0.728 0.02 1
648 114 114 ILE C C 177.339 0.2 1
649 114 114 ILE CA C 64.732 0.2 1
650 114 114 ILE CB C 35.609 0.2 1
651 114 114 ILE CD1 C 13.098 0.2 1
652 114 114 ILE N N 119.107 0.2 1
653 115 115 THR H H 8.646 0.02 1
654 115 115 THR C C 177.974 0.2 1
655 115 115 THR CA C 66.500 0.2 1
656 115 115 THR CB C 68.432 0.2 1
657 115 115 THR N N 116.344 0.2 1
658 116 116 SER H H 8.487 0.02 1
659 116 116 SER C C 176.258 0.2 1
660 116 116 SER CA C 61.498 0.2 1
661 116 116 SER CB C 62.246 0.2 1
662 116 116 SER N N 117.023 0.2 1
663 117 117 MET H H 7.902 0.02 1
664 117 117 MET HE H 1.981 0.02 1
665 117 117 MET CA C 58.006 0.2 1
666 117 117 MET CB C 32.407 0.2 1
667 117 117 MET CE C 18.652 0.2 1
668 117 117 MET N N 120.866 0.2 1
669 118 118 VAL H H 7.876 0.02 1
670 118 118 VAL HG1 H 0.623 0.02 2
671 118 118 VAL HG2 H 0.483 0.02 2
672 118 118 VAL C C 178.548 0.2 1
673 118 118 VAL CA C 66.500 0.2 1
674 118 118 VAL CB C 29.961 0.2 1
675 118 118 VAL CG1 C 20.909 0.2 2
676 118 118 VAL CG2 C 23.762 0.2 2
677 118 118 VAL N N 119.020 0.2 1
678 119 119 SER H H 7.701 0.02 1
679 119 119 SER CA C 61.149 0.2 1
680 119 119 SER CB C 62.431 0.2 1
681 119 119 SER N N 114.027 0.2 1
682 120 120 ARG C C 179.430 0.2 1
683 121 121 GLY H H 7.756 0.02 1
684 121 121 GLY C C 172.146 0.2 1
685 121 121 GLY CA C 45.505 0.2 1
686 121 121 GLY N N 107.166 0.2 1
687 122 122 THR H H 7.822 0.02 1
688 122 122 THR HG2 H 1.143 0.02 1
689 122 122 THR C C 173.113 0.2 1
690 122 122 THR CA C 62.245 0.2 1
691 122 122 THR CB C 67.777 0.2 1
692 122 122 THR CG2 C 21.115 0.2 1
693 122 122 THR N N 112.150 0.2 1
694 123 123 PHE H H 7.114 0.02 1
695 123 123 PHE HD1 H 6.502 0.02 3
696 123 123 PHE HE1 H 7.398 0.02 3
697 123 123 PHE C C 172.174 0.2 1
698 123 123 PHE CA C 57.424 0.2 1
699 123 123 PHE CB C 37.720 0.2 1
700 123 123 PHE CD1 C 133.907 0.2 3
701 123 123 PHE CE1 C 130.807 0.2 3
702 123 123 PHE N N 119.139 0.2 1
703 124 124 PRO C C 173.875 0.2 1
704 124 124 PRO CA C 62.167 0.2 1
705 124 124 PRO CB C 30.878 0.2 1
706 125 125 GLN H H 7.584 0.02 1
707 125 125 GLN C C 176.157 0.2 1
708 125 125 GLN CA C 55.970 0.2 1
709 125 125 GLN CB C 29.350 0.2 1
710 125 125 GLN N N 116.864 0.2 1
711 126 126 LEU H H 8.124 0.02 1
712 126 126 LEU HD1 H 1.056 0.02 2
713 126 126 LEU HD2 H 0.978 0.02 2
714 126 126 LEU C C 175.138 0.2 1
715 126 126 LEU CA C 53.490 0.2 1
716 126 126 LEU CB C 42.537 0.2 1
717 126 126 LEU CD1 C 24.198 0.2 2
718 126 126 LEU CD2 C 26.061 0.2 2
719 126 126 LEU N N 127.363 0.2 1
720 127 127 ASN H H 8.939 0.02 1
721 127 127 ASN C C 174.230 0.2 1
722 127 127 ASN CA C 50.506 0.2 1
723 127 127 ASN CB C 39.321 0.2 1
724 127 127 ASN N N 126.780 0.2 1
725 128 128 LEU H H 8.235 0.02 1
726 128 128 LEU HD1 H 0.899 0.02 2
727 128 128 LEU HD2 H 0.869 0.02 2
728 128 128 LEU C C 176.912 0.2 1
729 128 128 LEU CA C 55.061 0.2 1
730 128 128 LEU CB C 41.723 0.2 1
731 128 128 LEU CD1 C 23.364 0.2 2
732 128 128 LEU CD2 C 25.415 0.2 2
733 128 128 LEU N N 121.930 0.2 1
734 129 129 ALA H H 8.799 0.02 1
735 129 129 ALA HB H 1.357 0.02 1
736 129 129 ALA C C 175.106 0.2 1
737 129 129 ALA CA C 50.749 0.2 1
738 129 129 ALA CB C 17.526 0.2 1
739 129 129 ALA N N 128.283 0.2 1
740 130 130 PRO C C 175.826 0.2 1
741 130 130 PRO CA C 62.864 0.2 1
742 131 131 VAL H H 6.188 0.02 1
743 131 131 VAL HG1 H -0.284 0.02 2
744 131 131 VAL HG2 H 0.262 0.02 2
745 131 131 VAL C C 174.344 0.2 1
746 131 131 VAL CA C 60.492 0.2 1
747 131 131 VAL CB C 32.916 0.2 1
748 131 131 VAL CG1 C 19.860 0.2 2
749 131 131 VAL CG2 C 20.931 0.2 2
750 131 131 VAL N N 122.014 0.2 1
751 132 132 ASN C C 175.868 0.2 1
752 132 132 ASN CA C 52.424 0.2 1
753 133 133 PHE H H 8.623 0.02 1
754 133 133 PHE HD1 H 7.096 0.02 3
755 133 133 PHE HE1 H 7.229 0.02 3
756 133 133 PHE C C 177.938 0.2 1
757 133 133 PHE CA C 62.496 0.2 1
758 133 133 PHE CB C 38.739 0.2 1
759 133 133 PHE CD1 C 134.263 0.2 3
760 133 133 PHE CE1 C 130.083 0.2 3
761 133 133 PHE N N 124.868 0.2 1
762 134 134 ASP H H 8.150 0.02 1
763 134 134 ASP C C 178.149 0.2 1
764 134 134 ASP CA C 57.886 0.2 1
765 134 134 ASP CB C 39.394 0.2 1
766 134 134 ASP N N 121.946 0.2 1
767 135 135 ALA H H 7.341 0.02 1
768 135 135 ALA HB H 1.361 0.02 1
769 135 135 ALA C C 180.141 0.2 1
770 135 135 ALA CA C 53.759 0.2 1
771 135 135 ALA CB C 17.989 0.2 1
772 135 135 ALA N N 122.505 0.2 1
773 136 136 LEU H H 7.364 0.02 1
774 136 136 LEU HD1 H 0.791 0.02 2
775 136 136 LEU HD2 H 0.665 0.02 2
776 136 136 LEU C C 179.201 0.2 1
777 136 136 LEU CA C 57.253 0.2 1
778 136 136 LEU CB C 40.922 0.2 1
779 136 136 LEU CD1 C 23.377 0.2 2
780 136 136 LEU CD2 C 24.803 0.2 2
781 136 136 LEU N N 118.762 0.2 1
782 137 137 PHE H H 8.138 0.02 1
783 137 137 PHE HD1 H 7.000 0.02 3
784 137 137 PHE HE1 H 7.101 0.02 3
785 137 137 PHE C C 176.876 0.2 1
786 137 137 PHE CA C 60.232 0.2 1
787 137 137 PHE CB C 38.739 0.2 1
788 137 137 PHE CD1 C 131.214 0.2 3
789 137 137 PHE CE1 C 130.490 0.2 3
790 137 137 PHE N N 120.795 0.2 1
791 138 138 MET H H 7.997 0.02 1
792 138 138 MET HE H 2.086 0.02 1
793 138 138 MET C C 178.376 0.2 1
794 138 138 MET CA C 57.245 0.2 1
795 138 138 MET CB C 30.806 0.2 1
796 138 138 MET CE C 16.805 0.2 1
797 138 138 MET N N 118.067 0.2 1
798 139 139 ASN H H 7.903 0.02 1
799 139 139 ASN C C 176.756 0.2 1
800 139 139 ASN CA C 55.232 0.2 1
801 139 139 ASN CB C 37.720 0.2 1
802 139 139 ASN N N 118.245 0.2 1
803 140 140 TYR H H 7.736 0.02 1
804 140 140 TYR HD1 H 7.028 0.02 3
805 140 140 TYR HE1 H 6.844 0.02 3
806 140 140 TYR C C 177.339 0.2 1
807 140 140 TYR CA C 59.722 0.2 1
808 140 140 TYR CB C 36.701 0.2 1
809 140 140 TYR CD1 C 133.249 0.2 3
810 140 140 TYR CE1 C 118.224 0.2 3
811 140 140 TYR N N 121.729 0.2 1
812 141 141 LEU H H 7.829 0.02 1
813 141 141 LEU HD1 H 0.728 0.02 2
814 141 141 LEU HD2 H 0.784 0.02 2
815 141 141 LEU C C 179.201 0.2 1
816 141 141 LEU CA C 56.294 0.2 1
817 141 141 LEU CB C 40.849 0.2 1
818 141 141 LEU CD1 C 22.771 0.2 2
819 141 141 LEU CD2 C 25.241 0.2 2
820 141 141 LEU N N 120.839 0.2 1
821 142 142 GLN H H 7.776 0.02 1
822 142 142 GLN C C 177.258 0.2 1
823 142 142 GLN CA C 56.827 0.2 1
824 142 142 GLN CB C 27.604 0.2 1
825 142 142 GLN N N 118.815 0.2 1
826 143 143 GLN H H 7.799 0.02 1
827 143 143 GLN C C 176.983 0.2 1
828 143 143 GLN CA C 56.483 0.2 1
829 143 143 GLN CB C 27.639 0.2 1
830 143 143 GLN N N 119.651 0.2 1
831 144 144 GLN H H 7.835 0.02 1
832 144 144 GLN C C 176.157 0.2 1
833 144 144 GLN CA C 55.744 0.2 1
834 144 144 GLN CB C 28.113 0.2 1
835 144 144 GLN N N 119.704 0.2 1
836 145 145 ALA H H 7.829 0.02 1
837 145 145 ALA HB H 1.391 0.02 1
838 145 145 ALA C C 178.262 0.2 1
839 145 145 ALA CA C 52.702 0.2 1
840 145 145 ALA CB C 18.927 0.2 1
841 145 145 ALA N N 124.024 0.2 1
842 146 146 GLY H H 7.779 0.02 1
843 146 146 GLY C C 174.165 0.2 1
844 146 146 GLY CA C 44.752 0.2 1
845 146 146 GLY N N 107.262 0.2 1
846 147 147 GLU H H 8.111 0.02 1
847 147 147 GLU C C 177.096 0.2 1
848 147 147 GLU CA C 56.212 0.2 1
849 147 147 GLU CB C 29.205 0.2 1
850 147 147 GLU N N 121.198 0.2 1
851 148 148 GLY H H 8.369 0.02 1
852 148 148 GLY C C 174.408 0.2 1
853 148 148 GLY CA C 44.992 0.2 1
854 148 148 GLY N N 110.506 0.2 1
855 149 149 THR H H 7.883 0.02 1
856 149 149 THR HG2 H 1.171 0.02 1
857 149 149 THR C C 174.570 0.2 1
858 149 149 THR CA C 61.240 0.2 1
859 149 149 THR CB C 69.160 0.2 1
860 149 149 THR CG2 C 21.446 0.2 1
861 149 149 THR N N 113.739 0.2 1
862 150 150 GLU H H 8.359 0.02 1
863 150 150 GLU C C 176.288 0.2 1
864 150 150 GLU CA C 56.016 0.2 1
865 150 150 GLU CB C 29.205 0.2 1
866 150 150 GLU N N 123.574 0.2 1
867 151 151 GLU H H 8.231 0.02 1
868 151 151 GLU C C 176.157 0.2 1
869 151 151 GLU CA C 55.994 0.2 1
870 151 151 GLU CB C 29.496 0.2 1
871 151 151 GLU N N 122.426 0.2 1
872 152 152 HIS HD2 H 7.109 0.02 1
873 152 152 HIS HE1 H 8.154 0.02 1
874 152 152 HIS CD2 C 120.005 0.2 1
875 152 152 HIS CE1 C 137.608 0.2 1
876 153 153 GLN C C 175.430 0.2 1
877 153 153 GLN CA C 55.243 0.2 1
878 153 153 GLN CB C 29.125 0.2 1
879 154 154 ASP H H 8.372 0.02 1
880 154 154 ASP CA C 54.273 0.2 1
881 154 154 ASP CB C 40.673 0.2 1
882 154 154 ASP N N 122.845 0.2 1
883 155 155 ALA H H 7.690 0.02 1
884 155 155 ALA HB H 1.296 0.02 1
885 155 155 ALA CB C 20.138 0.2 1
886 155 155 ALA N N 129.862 0.2 1
stop_
save_
save_assigned_chemical_shifts_3
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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, chain 3'
_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 1 1 MET HE H 2.004 0.02 1
2 1 1 MET CE C 16.935 0.2 1
3 2 2 SER H H 8.028 0.02 1
4 2 2 SER C C 174.344 0.2 1
5 2 2 SER CA C 61.744 0.2 1
6 2 2 SER CB C 69.087 0.2 1
7 2 2 SER N N 115.131 0.2 1
8 9 9 MET H H 7.939 0.02 1
9 9 9 MET HE H 1.645 0.02 1
10 9 9 MET C C 175.590 0.2 1
11 9 9 MET CA C 55.244 0.2 1
12 9 9 MET CB C 32.480 0.2 1
13 9 9 MET CE C 17.135 0.2 1
14 9 9 MET N N 120.990 0.2 1
15 10 10 THR H H 8.427 0.02 1
16 10 10 THR HG2 H 1.184 0.02 1
17 10 10 THR C C 172.661 0.2 1
18 10 10 THR CA C 61.726 0.2 1
19 10 10 THR CB C 70.179 0.2 1
20 10 10 THR CG2 C 21.586 0.2 1
21 10 10 THR N N 119.446 0.2 1
22 11 11 PHE H H 8.238 0.02 1
23 11 11 PHE HD1 H 6.617 0.02 3
24 11 11 PHE HE1 H 7.451 0.02 3
25 11 11 PHE HZ H 7.357 0.02 1
26 11 11 PHE C C 174.183 0.2 1
27 11 11 PHE CA C 57.494 0.2 1
28 11 11 PHE CB C 40.922 0.2 1
29 11 11 PHE CD1 C 130.272 0.2 3
30 11 11 PHE CE1 C 131.752 0.2 3
31 11 11 PHE N N 125.799 0.2 1
32 12 12 GLN H H 8.654 0.02 1
33 12 12 GLN C C 174.401 0.2 1
34 12 12 GLN CA C 54.036 0.2 1
35 12 12 GLN CB C 32.035 0.2 1
36 12 12 GLN N N 126.548 0.2 1
37 13 13 ILE H H 8.761 0.02 1
38 13 13 ILE HD1 H 1.048 0.02 1
39 13 13 ILE C C 175.705 0.2 1
40 13 13 ILE CA C 61.240 0.2 1
41 13 13 ILE CB C 37.210 0.2 1
42 13 13 ILE CD1 C 13.779 0.2 1
43 13 13 ILE N N 125.652 0.2 1
44 14 14 GLN H H 8.791 0.02 1
45 14 14 GLN C C 176.497 0.2 1
46 14 14 GLN CA C 56.739 0.2 1
47 14 14 GLN CB C 28.113 0.2 1
48 14 14 GLN N N 126.216 0.2 1
49 15 15 ARG H H 7.099 0.02 1
50 15 15 ARG C C 173.361 0.2 1
51 15 15 ARG CA C 56.097 0.2 1
52 15 15 ARG CB C 34.636 0.2 1
53 15 15 ARG N N 118.642 0.2 1
54 16 16 ILE H H 8.400 0.02 1
55 16 16 ILE HD1 H 0.315 0.02 1
56 16 16 ILE C C 174.458 0.2 1
57 16 16 ILE CA C 60.712 0.2 1
58 16 16 ILE CB C 41.504 0.2 1
59 16 16 ILE CD1 C 11.897 0.2 1
60 16 16 ILE N N 127.395 0.2 1
61 17 17 TYR HD1 H 7.143 0.02 3
62 17 17 TYR HE1 H 6.809 0.02 3
63 17 17 TYR C C 172.951 0.2 1
64 17 17 TYR CA C 55.093 0.2 1
65 17 17 TYR CB C 40.035 0.2 1
66 17 17 TYR CD1 C 131.940 0.2 3
67 17 17 TYR CE1 C 118.242 0.2 3
68 18 18 THR H H 8.335 0.02 1
69 18 18 THR HG2 H 1.241 0.02 1
70 18 18 THR C C 174.087 0.2 1
71 18 18 THR CA C 61.232 0.2 1
72 18 18 THR CB C 68.577 0.2 1
73 18 18 THR CG2 C 21.539 0.2 1
74 18 18 THR N N 117.129 0.2 1
75 19 19 LYS H H 8.461 0.02 1
76 19 19 LYS C C 174.522 0.2 1
77 19 19 LYS CA C 57.250 0.2 1
78 19 19 LYS CB C 32.989 0.2 1
79 19 19 LYS N N 123.501 0.2 1
80 20 20 ASP H H 7.270 0.02 1
81 20 20 ASP C C 174.635 0.2 1
82 20 20 ASP CA C 53.493 0.2 1
83 20 20 ASP CB C 44.051 0.2 1
84 20 20 ASP N N 115.986 0.2 1
85 21 21 ILE H H 9.389 0.02 1
86 21 21 ILE HD1 H 0.733 0.02 1
87 21 21 ILE C C 175.283 0.2 1
88 21 21 ILE CA C 60.993 0.2 1
89 21 21 ILE CB C 42.741 0.2 1
90 21 21 ILE CD1 C 14.558 0.2 1
91 21 21 ILE N N 124.744 0.2 1
92 22 22 SER H H 9.311 0.02 1
93 22 22 SER C C 172.935 0.2 1
94 22 22 SER CA C 57.211 0.2 1
95 22 22 SER CB C 64.793 0.2 1
96 22 22 SER N N 121.789 0.2 1
97 23 23 PHE H H 9.236 0.02 1
98 23 23 PHE HD1 H 6.087 0.02 3
99 23 23 PHE HE1 H 6.985 0.02 3
100 23 23 PHE C C 174.406 0.2 1
101 23 23 PHE CA C 56.995 0.2 1
102 23 23 PHE CB C 42.086 0.2 1
103 23 23 PHE CD1 C 132.374 0.2 3
104 23 23 PHE CE1 C 130.257 0.2 3
105 23 23 PHE N N 126.614 0.2 1
106 24 24 GLU H H 8.152 0.02 1
107 24 24 GLU CA C 55.142 0.2 1
108 24 24 GLU CB C 33.364 0.2 1
109 24 24 GLU N N 125.260 0.2 1
110 25 25 ALA H H 7.897 0.02 1
111 25 25 ALA HB H 1.713 0.02 1
112 25 25 ALA C C 175.316 0.2 1
113 25 25 ALA CA C 48.551 0.2 1
114 25 25 ALA CB C 19.835 0.2 1
115 25 25 ALA N N 125.746 0.2 1
116 26 26 PRO C C 177.381 0.2 1
117 27 27 ASN H H 9.029 0.02 1
118 27 27 ASN C C 175.785 0.2 1
119 27 27 ASN CA C 51.490 0.2 1
120 27 27 ASN CB C 38.302 0.2 1
121 27 27 ASN N N 114.703 0.2 1
122 28 28 ALA H H 7.409 0.02 1
123 28 28 ALA HB H 1.154 0.02 1
124 28 28 ALA C C 175.575 0.2 1
125 28 28 ALA CA C 50.744 0.2 1
126 28 28 ALA CB C 18.004 0.2 1
127 28 28 ALA N N 124.439 0.2 1
128 29 29 PRO C C 174.506 0.2 1
129 29 29 PRO CA C 62.254 0.2 1
130 29 29 PRO CB C 30.988 0.2 1
131 30 30 HIS H H 7.632 0.02 1
132 30 30 HIS HD2 H 6.993 0.02 1
133 30 30 HIS HE1 H 7.826 0.02 1
134 30 30 HIS C C 178.802 0.2 1
135 30 30 HIS CA C 59.161 0.2 1
136 30 30 HIS CB C 28.939 0.2 1
137 30 30 HIS CD2 C 119.863 0.2 1
138 30 30 HIS CE1 C 138.452 0.2 1
139 30 30 HIS N N 118.421 0.2 1
140 31 31 VAL H H 7.707 0.02 1
141 31 31 VAL HG1 H 0.429 0.02 2
142 31 31 VAL HG2 H 1.113 0.02 2
143 31 31 VAL C C 175.935 0.2 1
144 31 31 VAL CA C 62.984 0.2 1
145 31 31 VAL CB C 30.973 0.2 1
146 31 31 VAL CG1 C 19.010 0.2 2
147 31 31 VAL CG2 C 21.755 0.2 2
148 31 31 VAL N N 116.197 0.2 1
149 32 32 PHE H H 6.910 0.02 1
150 32 32 PHE HD1 H 6.799 0.02 3
151 32 32 PHE HE1 H 7.017 0.02 3
152 32 32 PHE C C 176.611 0.2 1
153 32 32 PHE CA C 56.744 0.2 1
154 32 32 PHE CB C 36.191 0.2 1
155 32 32 PHE CD1 C 132.954 0.2 3
156 32 32 PHE CE1 C 130.974 0.2 3
157 32 32 PHE N N 119.426 0.2 1
158 33 33 GLN H H 7.405 0.02 1
159 33 33 GLN C C 176.270 0.2 1
160 33 33 GLN CA C 55.394 0.2 1
161 33 33 GLN CB C 28.259 0.2 1
162 33 33 GLN N N 114.878 0.2 1
163 34 34 LYS H H 7.090 0.02 1
164 34 34 LYS C C 176.513 0.2 1
165 34 34 LYS CA C 55.213 0.2 1
166 34 34 LYS CB C 32.407 0.2 1
167 34 34 LYS N N 119.111 0.2 1
168 35 35 ASP H H 8.460 0.02 1
169 35 35 ASP C C 176.733 0.2 1
170 35 35 ASP CA C 54.874 0.2 1
171 35 35 ASP CB C 40.265 0.2 1
172 35 35 ASP N N 122.772 0.2 1
173 36 36 TRP H H 8.633 0.02 1
174 36 36 TRP HD1 H 7.267 0.02 1
175 36 36 TRP HE1 H 10.312 0.02 1
176 36 36 TRP HE3 H 7.982 0.02 1
177 36 36 TRP HZ3 H 6.957 0.02 1
178 36 36 TRP C C 173.810 0.2 1
179 36 36 TRP CA C 56.087 0.2 1
180 36 36 TRP CB C 27.676 0.2 1
181 36 36 TRP CD1 C 128.561 0.2 1
182 36 36 TRP CE3 C 122.168 0.2 1
183 36 36 TRP CZ3 C 121.039 0.2 1
184 36 36 TRP N N 126.043 0.2 1
185 36 36 TRP NE1 N 131.275 0.2 1
186 37 37 GLN H H 6.275 0.02 1
187 37 37 GLN C C 172.239 0.2 1
188 37 37 GLN CA C 52.252 0.2 1
189 37 37 GLN CB C 27.895 0.2 1
190 37 37 GLN N N 125.936 0.2 1
191 38 38 PRO C C 176.823 0.2 1
192 38 38 PRO CA C 62.411 0.2 1
193 38 38 PRO CB C 30.880 0.2 1
194 39 39 GLU H H 8.453 0.02 1
195 39 39 GLU C C 175.704 0.2 1
196 39 39 GLU CA C 55.247 0.2 1
197 39 39 GLU CB C 30.296 0.2 1
198 39 39 GLU N N 121.078 0.2 1
199 40 40 VAL H H 8.597 0.02 1
200 40 40 VAL HG1 H 0.730 0.02 2
201 40 40 VAL HG2 H 0.771 0.02 2
202 40 40 VAL C C 174.960 0.2 1
203 40 40 VAL CA C 61.244 0.2 1
204 40 40 VAL CB C 32.407 0.2 1
205 40 40 VAL CG1 C 20.914 0.2 2
206 40 40 VAL CG2 C 21.184 0.2 2
207 40 40 VAL N N 127.618 0.2 1
208 41 41 LYS H H 8.714 0.02 1
209 41 41 LYS C C 174.030 0.2 1
210 41 41 LYS CA C 54.493 0.2 1
211 41 41 LYS CB C 33.499 0.2 1
212 41 41 LYS N N 129.788 0.2 1
213 42 42 LEU H H 8.434 0.02 1
214 42 42 LEU HD1 H 0.860 0.02 2
215 42 42 LEU HD2 H 0.938 0.02 2
216 42 42 LEU C C 174.821 0.2 1
217 42 42 LEU CA C 53.502 0.2 1
218 42 42 LEU CB C 44.051 0.2 1
219 42 42 LEU CD1 C 25.694 0.2 2
220 42 42 LEU CD2 C 25.855 0.2 2
221 42 42 LEU N N 128.307 0.2 1
222 43 43 ASP H H 9.135 0.02 1
223 43 43 ASP C C 173.842 0.2 1
224 43 43 ASP CA C 53.245 0.2 1
225 43 43 ASP CB C 44.529 0.2 1
226 43 43 ASP N N 127.026 0.2 1
227 44 44 LEU H H 8.306 0.02 1
228 44 44 LEU HD1 H 0.842 0.02 2
229 44 44 LEU HD2 H 0.980 0.02 2
230 44 44 LEU C C 175.509 0.2 1
231 44 44 LEU CA C 53.745 0.2 1
232 44 44 LEU CB C 45.143 0.2 1
233 44 44 LEU CD1 C 26.261 0.2 2
234 44 44 LEU CD2 C 26.804 0.2 2
235 44 44 LEU N N 121.822 0.2 1
236 45 45 ASP H H 8.815 0.02 1
237 45 45 ASP C C 174.068 0.2 1
238 45 45 ASP CA C 53.493 0.2 1
239 45 45 ASP CB C 44.124 0.2 1
240 45 45 ASP N N 120.295 0.2 1
241 46 46 THR H H 8.336 0.02 1
242 46 46 THR HG2 H 1.111 0.02 1
243 46 46 THR C C 172.174 0.2 1
244 46 46 THR CA C 59.490 0.2 1
245 46 46 THR CB C 70.615 0.2 1
246 46 46 THR CG2 C 20.753 0.2 1
247 46 46 THR N N 114.580 0.2 1
248 47 47 ALA H H 8.486 0.02 1
249 47 47 ALA HB H 1.434 0.02 1
250 47 47 ALA C C 175.365 0.2 1
251 47 47 ALA CA C 50.985 0.2 1
252 47 47 ALA CB C 22.904 0.2 1
253 47 47 ALA N N 126.322 0.2 1
254 48 48 SER H H 8.445 0.02 1
255 48 48 SER C C 173.923 0.2 1
256 48 48 SER CA C 56.739 0.2 1
257 48 48 SER CB C 66.904 0.2 1
258 48 48 SER N N 113.399 0.2 1
259 49 49 SER H H 9.134 0.02 1
260 49 49 SER C C 172.530 0.2 1
261 49 49 SER CA C 57.409 0.2 1
262 49 49 SER CB C 65.302 0.2 1
263 49 49 SER N N 114.664 0.2 1
264 50 50 GLN H H 8.832 0.02 1
265 50 50 GLN C C 175.591 0.2 1
266 50 50 GLN CA C 55.746 0.2 1
267 50 50 GLN CB C 28.113 0.2 1
268 50 50 GLN N N 125.426 0.2 1
269 51 51 LEU H H 8.782 0.02 1
270 51 51 LEU HD1 H 0.754 0.02 2
271 51 51 LEU HD2 H 0.718 0.02 2
272 51 51 LEU C C 176.579 0.2 1
273 51 51 LEU CA C 55.247 0.2 1
274 51 51 LEU CB C 41.941 0.2 1
275 51 51 LEU CD1 C 26.174 0.2 2
276 51 51 LEU CD2 C 22.304 0.2 2
277 51 51 LEU N N 128.889 0.2 1
278 52 52 ALA H H 8.067 0.02 1
279 52 52 ALA HB H 1.344 0.02 1
280 52 52 ALA C C 176.417 0.2 1
281 52 52 ALA CA C 50.471 0.2 1
282 52 52 ALA CB C 20.370 0.2 1
283 52 52 ALA N N 120.947 0.2 1
284 53 53 ASP H H 8.330 0.02 1
285 53 53 ASP C C 175.882 0.2 1
286 53 53 ASP CA C 57.247 0.2 1
287 53 53 ASP CB C 39.321 0.2 1
288 53 53 ASP N N 120.003 0.2 1
289 54 54 ASP H H 8.272 0.02 1
290 54 54 ASP C C 174.295 0.2 1
291 54 54 ASP CA C 53.990 0.2 1
292 54 54 ASP CB C 39.539 0.2 1
293 54 54 ASP N N 115.748 0.2 1
294 55 55 VAL H H 7.164 0.02 1
295 55 55 VAL HG1 H 0.757 0.02 2
296 55 55 VAL HG2 H 0.847 0.02 2
297 55 55 VAL C C 174.522 0.2 1
298 55 55 VAL CA C 61.742 0.2 1
299 55 55 VAL CB C 33.426 0.2 1
300 55 55 VAL CG1 C 22.446 0.2 2
301 55 55 VAL CG2 C 20.909 0.2 2
302 55 55 VAL N N 118.775 0.2 1
303 56 56 TYR H H 9.182 0.02 1
304 56 56 TYR HD1 H 7.036 0.02 3
305 56 56 TYR HE1 H 6.916 0.02 3
306 56 56 TYR C C 174.975 0.2 1
307 56 56 TYR CA C 56.497 0.2 1
308 56 56 TYR CB C 41.504 0.2 1
309 56 56 TYR CD1 C 131.918 0.2 3
310 56 56 TYR CE2 C 117.545 0.2 3
311 56 56 TYR N N 126.262 0.2 1
312 57 57 GLU H H 9.229 0.02 1
313 57 57 GLU C C 176.254 0.2 1
314 57 57 GLU CA C 53.996 0.2 1
315 57 57 GLU CB C 31.315 0.2 1
316 57 57 GLU N N 122.851 0.2 1
317 58 58 VAL H H 9.090 0.02 1
318 58 58 VAL HG1 H 0.812 0.02 2
319 58 58 VAL HG2 H 1.043 0.02 2
320 58 58 VAL C C 173.712 0.2 1
321 58 58 VAL CA C 61.055 0.2 1
322 58 58 VAL CB C 33.950 0.2 1
323 58 58 VAL CG1 C 20.555 0.2 2
324 58 58 VAL CG2 C 22.000 0.2 2
325 58 58 VAL N N 128.424 0.2 1
326 59 59 VAL H H 8.911 0.02 1
327 59 59 VAL HG1 H 0.817 0.02 2
328 59 59 VAL HG2 H 0.755 0.02 2
329 59 59 VAL C C 174.538 0.2 1
330 59 59 VAL CA C 59.772 0.2 1
331 59 59 VAL CB C 33.513 0.2 1
332 59 59 VAL CG1 C 21.207 0.2 2
333 59 59 VAL CG2 C 21.358 0.2 2
334 59 59 VAL N N 124.198 0.2 1
335 60 60 LEU H H 9.109 0.02 1
336 60 60 LEU HD1 H 1.098 0.02 2
337 60 60 LEU HD2 H 1.004 0.02 2
338 60 60 LEU C C 173.262 0.2 1
339 60 60 LEU CA C 52.745 0.2 1
340 60 60 LEU CB C 44.706 0.2 1
341 60 60 LEU CD1 C 23.978 0.2 2
342 60 60 LEU CD2 C 27.453 0.2 2
343 60 60 LEU N N 130.154 0.2 1
344 61 61 ARG H H 9.400 0.02 1
345 61 61 ARG C C 174.975 0.2 1
346 61 61 ARG CA C 54.246 0.2 1
347 61 61 ARG CB C 30.806 0.2 1
348 61 61 ARG N N 131.104 0.2 1
349 62 62 VAL H H 8.931 0.02 1
350 62 62 VAL HG1 H 1.015 0.02 2
351 62 62 VAL HG2 H 0.948 0.02 2
352 62 62 VAL C C 174.214 0.2 1
353 62 62 VAL CA C 60.745 0.2 1
354 62 62 VAL CB C 33.353 0.2 1
355 62 62 VAL CG1 C 21.183 0.2 2
356 62 62 VAL CG2 C 22.189 0.2 2
357 62 62 VAL N N 126.722 0.2 1
358 63 63 THR H H 9.030 0.02 1
359 63 63 THR HG2 H 1.071 0.02 1
360 63 63 THR C C 173.777 0.2 1
361 63 63 THR CA C 61.734 0.2 1
362 63 63 THR CB C 69.596 0.2 1
363 63 63 THR CG2 C 20.862 0.2 1
364 63 63 THR N N 124.158 0.2 1
365 64 64 VAL H H 9.547 0.02 1
366 64 64 VAL HG1 H 0.978 0.02 2
367 64 64 VAL HG2 H 1.064 0.02 2
368 64 64 VAL C C 174.246 0.2 1
369 64 64 VAL CA C 59.992 0.2 1
370 64 64 VAL CB C 34.445 0.2 1
371 64 64 VAL CG1 C 21.681 0.2 2
372 64 64 VAL CG2 C 22.916 0.2 2
373 64 64 VAL N N 126.692 0.2 1
374 65 65 THR H H 8.512 0.02 1
375 65 65 THR HG2 H 1.091 0.02 1
376 65 65 THR C C 172.870 0.2 1
377 65 65 THR CA C 60.739 0.2 1
378 65 65 THR CB C 69.960 0.2 1
379 65 65 THR CG2 C 20.964 0.2 1
380 65 65 THR N N 121.842 0.2 1
381 66 66 ALA H H 8.190 0.02 1
382 66 66 ALA HB H 0.213 0.02 1
383 66 66 ALA C C 175.818 0.2 1
384 66 66 ALA CA C 48.998 0.2 1
385 66 66 ALA CB C 19.966 0.2 1
386 66 66 ALA N N 127.905 0.2 1
387 67 67 SER H H 8.727 0.02 1
388 67 67 SER C C 172.077 0.2 1
389 67 67 SER CA C 57.008 0.2 1
390 67 67 SER CB C 64.720 0.2 1
391 67 67 SER N N 119.545 0.2 1
392 68 68 LEU H H 8.627 0.02 1
393 68 68 LEU HD1 H 0.479 0.02 2
394 68 68 LEU HD2 H 0.971 0.02 2
395 68 68 LEU C C 176.643 0.2 1
396 68 68 LEU CA C 52.243 0.2 1
397 68 68 LEU CB C 40.995 0.2 1
398 68 68 LEU CD1 C 22.636 0.2 2
399 68 68 LEU CD2 C 26.001 0.2 2
400 68 68 LEU N N 124.437 0.2 1
401 69 69 GLY H H 8.653 0.02 1
402 69 69 GLY C C 175.007 0.2 1
403 69 69 GLY CA C 46.498 0.2 1
404 69 69 GLY N N 116.100 0.2 1
405 70 70 GLU H H 8.821 0.02 1
406 70 70 GLU C C 175.939 0.2 1
407 70 70 GLU CA C 56.225 0.2 1
408 70 70 GLU CB C 28.360 0.2 1
409 70 70 GLU N N 125.299 0.2 1
410 71 71 GLU H H 7.585 0.02 1
411 71 71 GLU C C 175.688 0.2 1
412 71 71 GLU CA C 54.478 0.2 1
413 71 71 GLU CB C 31.024 0.2 1
414 71 71 GLU N N 120.136 0.2 1
415 72 72 THR H H 8.637 0.02 1
416 72 72 THR HG2 H 0.907 0.02 1
417 72 72 THR C C 174.149 0.2 1
418 72 72 THR CA C 63.993 0.2 1
419 72 72 THR CB C 68.068 0.2 1
420 72 72 THR CG2 C 21.929 0.2 1
421 72 72 THR N N 122.499 0.2 1
422 73 73 ALA H H 9.460 0.02 1
423 73 73 ALA HB H 1.239 0.02 1
424 73 73 ALA C C 176.517 0.2 1
425 73 73 ALA CA C 52.995 0.2 1
426 73 73 ALA CB C 18.904 0.2 1
427 73 73 ALA N N 132.722 0.2 1
428 74 74 PHE H H 7.239 0.02 1
429 74 74 PHE HD1 H 7.342 0.02 3
430 74 74 PHE HE1 H 7.283 0.02 3
431 74 74 PHE C C 171.818 0.2 1
432 74 74 PHE CA C 56.243 0.2 1
433 74 74 PHE CB C 39.903 0.2 1
434 74 74 PHE CD1 C 132.110 0.2 3
435 74 74 PHE CE1 C 131.283 0.2 3
436 74 74 PHE N N 108.708 0.2 1
437 75 75 LEU H H 8.369 0.02 1
438 75 75 LEU HD1 H 0.822 0.02 2
439 75 75 LEU C C 175.891 0.2 1
440 75 75 LEU CA C 53.770 0.2 1
441 75 75 LEU CB C 44.197 0.2 1
442 75 75 LEU CD1 C 25.172 0.2 2
443 75 75 LEU N N 121.098 0.2 1
444 76 76 CYS H H 9.425 0.02 1
445 76 76 CYS C C 171.818 0.2 1
446 76 76 CYS CA C 56.247 0.2 1
447 76 76 CYS CB C 29.714 0.2 1
448 76 76 CYS N N 123.893 0.2 1
449 77 77 GLU H H 9.616 0.02 1
450 77 77 GLU C C 174.280 0.2 1
451 77 77 GLU CA C 54.513 0.2 1
452 77 77 GLU CB C 32.844 0.2 1
453 77 77 GLU N N 128.601 0.2 1
454 78 78 VAL H H 8.910 0.02 1
455 78 78 VAL HG1 H 1.147 0.02 2
456 78 78 VAL HG2 H 1.155 0.02 2
457 78 78 VAL C C 174.052 0.2 1
458 78 78 VAL CA C 59.244 0.2 1
459 78 78 VAL CB C 35.609 0.2 1
460 78 78 VAL CG1 C 20.929 0.2 2
461 78 78 VAL CG2 C 22.780 0.2 2
462 78 78 VAL N N 123.287 0.2 1
463 79 79 GLN H H 8.805 0.02 1
464 79 79 GLN C C 173.939 0.2 1
465 79 79 GLN CA C 54.999 0.2 1
466 79 79 GLN CB C 28.768 0.2 1
467 79 79 GLN N N 124.019 0.2 1
468 80 80 GLN H H 9.468 0.02 1
469 80 80 GLN C C 173.113 0.2 1
470 80 80 GLN CA C 53.749 0.2 1
471 80 80 GLN CB C 29.278 0.2 1
472 80 80 GLN N N 129.130 0.2 1
473 81 81 GLY H H 9.332 0.02 1
474 81 81 GLY CA C 42.994 0.2 1
475 81 81 GLY N N 116.406 0.2 1
476 82 82 GLY H H 8.508 0.02 1
477 82 82 GLY C C 171.764 0.2 1
478 82 82 GLY CA C 44.992 0.2 1
479 82 82 GLY N N 105.997 0.2 1
480 83 83 ILE H H 8.194 0.02 1
481 83 83 ILE HD1 H 0.736 0.02 1
482 83 83 ILE C C 177.800 0.2 1
483 83 83 ILE CA C 59.239 0.2 1
484 83 83 ILE CB C 38.811 0.2 1
485 83 83 ILE CD1 C 13.139 0.2 1
486 83 83 ILE N N 121.028 0.2 1
487 84 84 PHE H H 9.489 0.02 1
488 84 84 PHE HD1 H 6.957 0.02 3
489 84 84 PHE HE1 H 7.201 0.02 3
490 84 84 PHE C C 176.772 0.2 1
491 84 84 PHE CA C 55.266 0.2 1
492 84 84 PHE CB C 41.868 0.2 1
493 84 84 PHE CD1 C 132.140 0.2 3
494 84 84 PHE CE1 C 130.699 0.2 3
495 84 84 PHE N N 125.844 0.2 1
496 85 85 SER H H 9.010 0.02 1
497 85 85 SER C C 174.103 0.2 1
498 85 85 SER CA C 56.533 0.2 1
499 85 85 SER CB C 62.755 0.2 1
500 85 85 SER N N 120.747 0.2 1
501 86 86 ILE H H 8.385 0.02 1
502 86 86 ILE HD1 H 0.604 0.02 1
503 86 86 ILE C C 174.053 0.2 1
504 86 86 ILE CA C 60.308 0.2 1
505 86 86 ILE CB C 40.922 0.2 1
506 86 86 ILE CD1 C 14.679 0.2 1
507 86 86 ILE N N 125.778 0.2 1
508 87 87 ALA H H 8.680 0.02 1
509 87 87 ALA HB H 1.426 0.02 1
510 87 87 ALA C C 177.097 0.2 1
511 87 87 ALA CA C 50.756 0.2 1
512 87 87 ALA CB C 22.377 0.2 1
513 87 87 ALA N N 127.690 0.2 1
514 88 88 GLY H H 8.632 0.02 1
515 88 88 GLY C C 173.696 0.2 1
516 88 88 GLY CA C 45.490 0.2 1
517 88 88 GLY N N 107.644 0.2 1
518 89 89 ILE H H 7.052 0.02 1
519 89 89 ILE HD1 H 0.670 0.02 1
520 89 89 ILE C C 174.267 0.2 1
521 89 89 ILE CA C 58.823 0.2 1
522 89 89 ILE CB C 40.922 0.2 1
523 89 89 ILE CD1 C 14.148 0.2 1
524 89 89 ILE N N 111.844 0.2 1
525 90 90 GLU H H 8.557 0.02 1
526 90 90 GLU C C 177.080 0.2 1
527 90 90 GLU CA C 54.500 0.2 1
528 90 90 GLU CB C 31.898 0.2 1
529 90 90 GLU N N 120.176 0.2 1
530 91 91 GLY H H 8.652 0.02 1
531 91 91 GLY CA C 46.567 0.2 1
532 91 91 GLY N N 108.806 0.2 1
533 92 92 THR HG2 H 1.396 0.02 1
534 92 92 THR C C 176.622 0.2 1
535 92 92 THR CA C 64.969 0.2 1
536 92 92 THR CB C 68.468 0.2 1
537 92 92 THR CG2 C 22.215 0.2 1
538 93 93 GLN H H 8.070 0.02 1
539 93 93 GLN C C 178.586 0.2 1
540 93 93 GLN CA C 57.993 0.2 1
541 93 93 GLN CB C 27.604 0.2 1
542 93 93 GLN N N 121.709 0.2 1
543 94 94 MET H H 7.296 0.02 1
544 94 94 MET HE H 1.773 0.02 1
545 94 94 MET C C 176.983 0.2 1
546 94 94 MET CA C 56.743 0.2 1
547 94 94 MET CB C 30.198 0.2 1
548 94 94 MET CE C 17.956 0.2 1
549 94 94 MET N N 121.415 0.2 1
550 95 95 ALA H H 7.946 0.02 1
551 95 95 ALA HB H 1.639 0.02 1
552 95 95 ALA C C 179.962 0.2 1
553 95 95 ALA CA C 54.941 0.2 1
554 95 95 ALA CB C 17.480 0.2 1
555 95 95 ALA N N 122.598 0.2 1
556 96 96 HIS H H 8.062 0.02 1
557 96 96 HIS HD2 H 7.029 0.02 1
558 96 96 HIS HE1 H 7.763 0.02 1
559 96 96 HIS C C 176.978 0.2 1
560 96 96 HIS CA C 59.016 0.2 1
561 96 96 HIS CD2 C 119.253 0.2 1
562 96 96 HIS CE1 C 139.384 0.2 1
563 96 96 HIS N N 118.868 0.2 1
564 97 97 CYS H H 7.945 0.02 1
565 97 97 CYS C C 176.405 0.2 1
566 97 97 CYS CA C 61.729 0.2 1
567 97 97 CYS N N 123.952 0.2 1
568 98 98 LEU H H 7.947 0.02 1
569 98 98 LEU HD1 H 0.300 0.02 2
570 98 98 LEU HD2 H 0.480 0.02 2
571 98 98 LEU C C 177.906 0.2 1
572 98 98 LEU CA C 57.013 0.2 1
573 98 98 LEU CB C 40.922 0.2 1
574 98 98 LEU CD1 C 21.949 0.2 2
575 98 98 LEU CD2 C 25.102 0.2 2
576 98 98 LEU N N 117.377 0.2 1
577 99 99 GLY H H 7.713 0.02 1
578 99 99 GLY C C 172.886 0.2 1
579 99 99 GLY CA C 44.786 0.2 1
580 99 99 GLY N N 102.317 0.2 1
581 100 100 ALA H H 7.535 0.02 1
582 100 100 ALA HB H 0.798 0.02 1
583 100 100 ALA C C 176.044 0.2 1
584 100 100 ALA CA C 52.991 0.2 1
585 100 100 ALA CB C 20.200 0.2 1
586 100 100 ALA N N 120.517 0.2 1
587 101 101 TYR H H 7.203 0.02 1
588 101 101 TYR HD1 H 7.245 0.02 3
589 101 101 TYR HE1 H 6.426 0.02 3
590 101 101 TYR C C 180.157 0.2 1
591 101 101 TYR CA C 61.534 0.2 1
592 101 101 TYR CD1 C 131.579 0.2 3
593 101 101 TYR CE1 C 116.427 0.2 3
594 101 101 TYR N N 122.129 0.2 1
595 102 102 CYS H H 8.560 0.02 1
596 102 102 CYS C C 175.364 0.2 1
597 102 102 CYS CA C 65.301 0.2 1
598 102 102 CYS CB C 25.566 0.2 1
599 102 102 CYS N N 115.256 0.2 1
600 105 105 ILE H H 7.291 0.02 1
601 105 105 ILE HD1 H 0.814 0.02 1
602 105 105 ILE CA C 62.773 0.2 1
603 105 105 ILE CB C 36.628 0.2 1
604 105 105 ILE CD1 C 14.880 0.2 1
605 105 105 ILE N N 119.950 0.2 1
606 106 106 LEU HD1 H 0.597 0.02 2
607 106 106 LEU HD2 H 0.778 0.02 2
608 106 106 LEU CD1 C 22.745 0.2 2
609 106 106 LEU CD2 C 25.541 0.2 2
610 107 107 PHE HD1 H 7.173 0.02 3
611 107 107 PHE HE1 H 7.296 0.02 3
612 107 107 PHE CD1 C 131.967 0.2 3
613 107 107 PHE CE1 C 130.589 0.2 3
614 108 108 PRO C C 179.330 0.2 1
615 108 108 PRO CA C 66.012 0.2 1
616 109 109 TYR H H 7.153 0.02 1
617 109 109 TYR HD1 H 7.443 0.02 3
618 109 109 TYR HE1 H 6.050 0.02 3
619 109 109 TYR C C 177.712 0.2 1
620 109 109 TYR CA C 60.746 0.2 1
621 109 109 TYR CB C 36.191 0.2 1
622 109 109 TYR CD1 C 131.821 0.2 3
623 109 109 TYR CE1 C 118.338 0.2 3
624 109 109 TYR N N 116.895 0.2 1
625 110 110 ALA H H 7.381 0.02 1
626 110 110 ALA HB H 1.292 0.02 1
627 110 110 ALA C C 178.384 0.2 1
628 110 110 ALA CA C 54.478 0.2 1
629 110 110 ALA CB C 17.568 0.2 1
630 110 110 ALA N N 123.375 0.2 1
631 111 111 ARG H H 8.589 0.02 1
632 111 111 ARG C C 178.035 0.2 1
633 111 111 ARG CA C 58.585 0.2 1
634 111 111 ARG CB C 29.288 0.2 1
635 111 111 ARG N N 116.850 0.2 1
636 112 112 GLU H H 6.702 0.02 1
637 112 112 GLU C C 176.335 0.2 1
638 112 112 GLU CA C 58.992 0.2 1
639 112 112 GLU CB C 28.113 0.2 1
640 112 112 GLU N N 118.859 0.2 1
641 113 113 CYS H H 7.233 0.02 1
642 113 113 CYS C C 176.798 0.2 1
643 113 113 CYS CA C 62.294 0.2 1
644 113 113 CYS CB C 26.003 0.2 1
645 113 113 CYS N N 120.275 0.2 1
646 114 114 ILE H H 7.890 0.02 1
647 114 114 ILE HD1 H 0.728 0.02 1
648 114 114 ILE C C 177.339 0.2 1
649 114 114 ILE CA C 64.732 0.2 1
650 114 114 ILE CB C 35.609 0.2 1
651 114 114 ILE CD1 C 13.098 0.2 1
652 114 114 ILE N N 119.107 0.2 1
653 115 115 THR H H 8.646 0.02 1
654 115 115 THR C C 177.974 0.2 1
655 115 115 THR CA C 66.500 0.2 1
656 115 115 THR CB C 68.432 0.2 1
657 115 115 THR N N 116.344 0.2 1
658 116 116 SER H H 8.487 0.02 1
659 116 116 SER C C 176.258 0.2 1
660 116 116 SER CA C 61.498 0.2 1
661 116 116 SER CB C 62.246 0.2 1
662 116 116 SER N N 117.023 0.2 1
663 117 117 MET H H 7.902 0.02 1
664 117 117 MET HE H 1.981 0.02 1
665 117 117 MET CA C 58.006 0.2 1
666 117 117 MET CB C 32.407 0.2 1
667 117 117 MET CE C 18.652 0.2 1
668 117 117 MET N N 120.866 0.2 1
669 118 118 VAL H H 7.876 0.02 1
670 118 118 VAL HG1 H 0.623 0.02 2
671 118 118 VAL HG2 H 0.483 0.02 2
672 118 118 VAL C C 178.548 0.2 1
673 118 118 VAL CA C 66.500 0.2 1
674 118 118 VAL CB C 29.961 0.2 1
675 118 118 VAL CG1 C 20.909 0.2 2
676 118 118 VAL CG2 C 23.762 0.2 2
677 118 118 VAL N N 119.020 0.2 1
678 119 119 SER H H 7.701 0.02 1
679 119 119 SER CA C 61.149 0.2 1
680 119 119 SER CB C 62.431 0.2 1
681 119 119 SER N N 114.027 0.2 1
682 120 120 ARG C C 179.430 0.2 1
683 121 121 GLY H H 7.756 0.02 1
684 121 121 GLY C C 172.146 0.2 1
685 121 121 GLY CA C 45.505 0.2 1
686 121 121 GLY N N 107.166 0.2 1
687 122 122 THR H H 7.822 0.02 1
688 122 122 THR HG2 H 1.143 0.02 1
689 122 122 THR C C 173.113 0.2 1
690 122 122 THR CA C 62.245 0.2 1
691 122 122 THR CB C 67.777 0.2 1
692 122 122 THR CG2 C 21.115 0.2 1
693 122 122 THR N N 112.150 0.2 1
694 123 123 PHE H H 7.114 0.02 1
695 123 123 PHE HD1 H 6.502 0.02 3
696 123 123 PHE HE1 H 7.398 0.02 3
697 123 123 PHE C C 172.174 0.2 1
698 123 123 PHE CA C 57.424 0.2 1
699 123 123 PHE CB C 37.720 0.2 1
700 123 123 PHE CD1 C 133.907 0.2 3
701 123 123 PHE CE1 C 130.807 0.2 3
702 123 123 PHE N N 119.139 0.2 1
703 124 124 PRO C C 173.875 0.2 1
704 124 124 PRO CA C 62.167 0.2 1
705 124 124 PRO CB C 30.878 0.2 1
706 125 125 GLN H H 7.584 0.02 1
707 125 125 GLN C C 176.157 0.2 1
708 125 125 GLN CA C 55.970 0.2 1
709 125 125 GLN CB C 29.350 0.2 1
710 125 125 GLN N N 116.864 0.2 1
711 126 126 LEU H H 8.124 0.02 1
712 126 126 LEU HD1 H 1.056 0.02 2
713 126 126 LEU HD2 H 0.978 0.02 2
714 126 126 LEU C C 175.138 0.2 1
715 126 126 LEU CA C 53.490 0.2 1
716 126 126 LEU CB C 42.537 0.2 1
717 126 126 LEU CD1 C 24.198 0.2 2
718 126 126 LEU CD2 C 26.061 0.2 2
719 126 126 LEU N N 127.363 0.2 1
720 127 127 ASN H H 8.939 0.02 1
721 127 127 ASN C C 174.230 0.2 1
722 127 127 ASN CA C 50.506 0.2 1
723 127 127 ASN CB C 39.321 0.2 1
724 127 127 ASN N N 126.780 0.2 1
725 128 128 LEU H H 8.235 0.02 1
726 128 128 LEU HD1 H 0.899 0.02 2
727 128 128 LEU HD2 H 0.869 0.02 2
728 128 128 LEU C C 176.912 0.2 1
729 128 128 LEU CA C 55.061 0.2 1
730 128 128 LEU CB C 41.723 0.2 1
731 128 128 LEU CD1 C 23.364 0.2 2
732 128 128 LEU CD2 C 25.415 0.2 2
733 128 128 LEU N N 121.930 0.2 1
734 129 129 ALA H H 8.799 0.02 1
735 129 129 ALA HB H 1.357 0.02 1
736 129 129 ALA C C 175.106 0.2 1
737 129 129 ALA CA C 50.749 0.2 1
738 129 129 ALA CB C 17.526 0.2 1
739 129 129 ALA N N 128.283 0.2 1
740 130 130 PRO C C 175.826 0.2 1
741 130 130 PRO CA C 62.864 0.2 1
742 131 131 VAL H H 6.188 0.02 1
743 131 131 VAL HG1 H -0.284 0.02 2
744 131 131 VAL HG2 H 0.262 0.02 2
745 131 131 VAL C C 174.344 0.2 1
746 131 131 VAL CA C 60.492 0.2 1
747 131 131 VAL CB C 32.916 0.2 1
748 131 131 VAL CG1 C 19.860 0.2 2
749 131 131 VAL CG2 C 20.931 0.2 2
750 131 131 VAL N N 122.014 0.2 1
751 132 132 ASN C C 175.868 0.2 1
752 132 132 ASN CA C 52.424 0.2 1
753 133 133 PHE H H 8.623 0.02 1
754 133 133 PHE HD1 H 7.096 0.02 3
755 133 133 PHE HE1 H 7.229 0.02 3
756 133 133 PHE C C 177.938 0.2 1
757 133 133 PHE CA C 62.496 0.2 1
758 133 133 PHE CB C 38.739 0.2 1
759 133 133 PHE CD1 C 134.263 0.2 3
760 133 133 PHE CE1 C 130.083 0.2 3
761 133 133 PHE N N 124.868 0.2 1
762 134 134 ASP H H 8.150 0.02 1
763 134 134 ASP C C 178.149 0.2 1
764 134 134 ASP CA C 57.886 0.2 1
765 134 134 ASP CB C 39.394 0.2 1
766 134 134 ASP N N 121.946 0.2 1
767 135 135 ALA H H 7.341 0.02 1
768 135 135 ALA HB H 1.361 0.02 1
769 135 135 ALA C C 180.141 0.2 1
770 135 135 ALA CA C 53.759 0.2 1
771 135 135 ALA CB C 17.989 0.2 1
772 135 135 ALA N N 122.505 0.2 1
773 136 136 LEU H H 7.364 0.02 1
774 136 136 LEU HD1 H 0.791 0.02 2
775 136 136 LEU HD2 H 0.665 0.02 2
776 136 136 LEU C C 179.201 0.2 1
777 136 136 LEU CA C 57.253 0.2 1
778 136 136 LEU CB C 40.922 0.2 1
779 136 136 LEU CD1 C 23.377 0.2 2
780 136 136 LEU CD2 C 24.803 0.2 2
781 136 136 LEU N N 118.762 0.2 1
782 137 137 PHE H H 8.138 0.02 1
783 137 137 PHE HD1 H 7.000 0.02 3
784 137 137 PHE HE1 H 7.101 0.02 3
785 137 137 PHE C C 176.876 0.2 1
786 137 137 PHE CA C 60.232 0.2 1
787 137 137 PHE CB C 38.739 0.2 1
788 137 137 PHE CD1 C 131.214 0.2 3
789 137 137 PHE CE1 C 130.490 0.2 3
790 137 137 PHE N N 120.795 0.2 1
791 138 138 MET H H 7.997 0.02 1
792 138 138 MET HE H 2.086 0.02 1
793 138 138 MET C C 178.376 0.2 1
794 138 138 MET CA C 57.245 0.2 1
795 138 138 MET CB C 30.806 0.2 1
796 138 138 MET CE C 16.805 0.2 1
797 138 138 MET N N 118.067 0.2 1
798 139 139 ASN H H 7.903 0.02 1
799 139 139 ASN C C 176.756 0.2 1
800 139 139 ASN CA C 55.232 0.2 1
801 139 139 ASN CB C 37.720 0.2 1
802 139 139 ASN N N 118.245 0.2 1
803 140 140 TYR H H 7.736 0.02 1
804 140 140 TYR HD1 H 7.028 0.02 3
805 140 140 TYR HE1 H 6.844 0.02 3
806 140 140 TYR C C 177.339 0.2 1
807 140 140 TYR CA C 59.722 0.2 1
808 140 140 TYR CB C 36.701 0.2 1
809 140 140 TYR CD1 C 133.249 0.2 3
810 140 140 TYR CE1 C 118.224 0.2 3
811 140 140 TYR N N 121.729 0.2 1
812 141 141 LEU H H 7.829 0.02 1
813 141 141 LEU HD1 H 0.728 0.02 2
814 141 141 LEU HD2 H 0.784 0.02 2
815 141 141 LEU C C 179.201 0.2 1
816 141 141 LEU CA C 56.294 0.2 1
817 141 141 LEU CB C 40.849 0.2 1
818 141 141 LEU CD1 C 22.771 0.2 2
819 141 141 LEU CD2 C 25.241 0.2 2
820 141 141 LEU N N 120.839 0.2 1
821 142 142 GLN H H 7.776 0.02 1
822 142 142 GLN C C 177.258 0.2 1
823 142 142 GLN CA C 56.827 0.2 1
824 142 142 GLN CB C 27.604 0.2 1
825 142 142 GLN N N 118.815 0.2 1
826 143 143 GLN H H 7.799 0.02 1
827 143 143 GLN C C 176.983 0.2 1
828 143 143 GLN CA C 56.483 0.2 1
829 143 143 GLN CB C 27.639 0.2 1
830 143 143 GLN N N 119.651 0.2 1
831 144 144 GLN H H 7.835 0.02 1
832 144 144 GLN C C 176.157 0.2 1
833 144 144 GLN CA C 55.744 0.2 1
834 144 144 GLN CB C 28.113 0.2 1
835 144 144 GLN N N 119.704 0.2 1
836 145 145 ALA H H 7.829 0.02 1
837 145 145 ALA HB H 1.391 0.02 1
838 145 145 ALA C C 178.262 0.2 1
839 145 145 ALA CA C 52.702 0.2 1
840 145 145 ALA CB C 18.927 0.2 1
841 145 145 ALA N N 124.024 0.2 1
842 146 146 GLY H H 7.779 0.02 1
843 146 146 GLY C C 174.165 0.2 1
844 146 146 GLY CA C 44.752 0.2 1
845 146 146 GLY N N 107.262 0.2 1
846 147 147 GLU H H 8.111 0.02 1
847 147 147 GLU C C 177.096 0.2 1
848 147 147 GLU CA C 56.212 0.2 1
849 147 147 GLU CB C 29.205 0.2 1
850 147 147 GLU N N 121.198 0.2 1
851 148 148 GLY H H 8.369 0.02 1
852 148 148 GLY C C 174.408 0.2 1
853 148 148 GLY CA C 44.992 0.2 1
854 148 148 GLY N N 110.506 0.2 1
855 149 149 THR H H 7.883 0.02 1
856 149 149 THR HG2 H 1.171 0.02 1
857 149 149 THR C C 174.570 0.2 1
858 149 149 THR CA C 61.240 0.2 1
859 149 149 THR CB C 69.160 0.2 1
860 149 149 THR CG2 C 21.446 0.2 1
861 149 149 THR N N 113.739 0.2 1
862 150 150 GLU H H 8.359 0.02 1
863 150 150 GLU C C 176.288 0.2 1
864 150 150 GLU CA C 56.016 0.2 1
865 150 150 GLU CB C 29.205 0.2 1
866 150 150 GLU N N 123.574 0.2 1
867 151 151 GLU H H 8.231 0.02 1
868 151 151 GLU C C 176.157 0.2 1
869 151 151 GLU CA C 55.994 0.2 1
870 151 151 GLU CB C 29.496 0.2 1
871 151 151 GLU N N 122.426 0.2 1
872 152 152 HIS HD2 H 7.109 0.02 1
873 152 152 HIS HE1 H 8.154 0.02 1
874 152 152 HIS CD2 C 120.005 0.2 1
875 152 152 HIS CE1 C 137.608 0.2 1
876 153 153 GLN C C 175.430 0.2 1
877 153 153 GLN CA C 55.243 0.2 1
878 153 153 GLN CB C 29.125 0.2 1
879 154 154 ASP H H 8.372 0.02 1
880 154 154 ASP CA C 54.273 0.2 1
881 154 154 ASP CB C 40.673 0.2 1
882 154 154 ASP N N 122.845 0.2 1
883 155 155 ALA H H 7.690 0.02 1
884 155 155 ALA HB H 1.296 0.02 1
885 155 155 ALA CB C 20.138 0.2 1
886 155 155 ALA N N 129.862 0.2 1
stop_
save_
save_assigned_chemical_shifts_4
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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, chain 4'
_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 1 1 MET HE H 2.041 0.02 1
2 1 1 MET CE C 16.906 0.2 1
3 2 2 SER H H 8.028 0.02 1
4 2 2 SER C C 174.344 0.2 1
5 2 2 SER CA C 61.744 0.2 1
6 2 2 SER CB C 69.087 0.2 1
7 2 2 SER N N 115.131 0.2 1
8 9 9 MET H H 7.914 0.02 1
9 9 9 MET HE H 1.923 0.02 1
10 9 9 MET C C 175.590 0.2 1
11 9 9 MET CA C 55.302 0.2 1
12 9 9 MET CB C 32.407 0.2 1
13 9 9 MET CE C 17.165 0.2 1
14 9 9 MET N N 120.990 0.2 1
15 10 10 THR H H 8.569 0.02 1
16 10 10 THR HG2 H 1.184 0.02 1
17 10 10 THR C C 172.598 0.2 1
18 10 10 THR CA C 61.731 0.2 1
19 10 10 THR CB C 69.596 0.2 1
20 10 10 THR CG2 C 21.586 0.2 1
21 10 10 THR N N 120.846 0.2 1
22 11 11 PHE H H 8.405 0.02 1
23 11 11 PHE HD1 H 6.617 0.02 3
24 11 11 PHE HE1 H 7.451 0.02 3
25 11 11 PHE HZ H 7.064 0.02 1
26 11 11 PHE C C 174.620 0.2 1
27 11 11 PHE CA C 57.247 0.2 1
28 11 11 PHE CB C 44.270 0.2 1
29 11 11 PHE CD1 C 130.272 0.2 3
30 11 11 PHE CE1 C 131.752 0.2 3
31 11 11 PHE N N 127.497 0.2 1
32 12 12 GLN H H 8.613 0.02 1
33 12 12 GLN C C 174.426 0.2 1
34 12 12 GLN CA C 53.987 0.2 1
35 12 12 GLN CB C 31.898 0.2 1
36 12 12 GLN N N 126.720 0.2 1
37 13 13 ILE H H 8.846 0.02 1
38 13 13 ILE HD1 H 1.084 0.02 1
39 13 13 ILE C C 175.705 0.2 1
40 13 13 ILE CA C 61.288 0.2 1
41 13 13 ILE CB C 33.426 0.2 1
42 13 13 ILE CD1 C 14.307 0.2 1
43 13 13 ILE N N 125.698 0.2 1
44 14 14 GLN H H 8.718 0.02 1
45 14 14 GLN C C 176.077 0.2 1
46 14 14 GLN CA C 56.993 0.2 1
47 14 14 GLN CB C 27.676 0.2 1
48 14 14 GLN N N 126.919 0.2 1
49 15 15 ARG H H 7.043 0.02 1
50 15 15 ARG C C 173.340 0.2 1
51 15 15 ARG CA C 55.988 0.2 1
52 15 15 ARG CB C 33.426 0.2 1
53 15 15 ARG N N 118.644 0.2 1
54 16 16 ILE H H 8.267 0.02 1
55 16 16 ILE HD1 H 0.302 0.02 1
56 16 16 ILE C C 174.636 0.2 1
57 16 16 ILE CA C 60.243 0.2 1
58 16 16 ILE CB C 39.321 0.2 1
59 16 16 ILE CD1 C 12.159 0.2 1
60 16 16 ILE N N 126.029 0.2 1
61 17 17 TYR H H 7.776 0.02 1
62 17 17 TYR HD1 H 7.143 0.02 3
63 17 17 TYR HE1 H 6.809 0.02 3
64 17 17 TYR C C 172.903 0.2 1
65 17 17 TYR CA C 54.864 0.2 1
66 17 17 TYR CB C 40.385 0.2 1
67 17 17 TYR CD1 C 131.940 0.2 3
68 17 17 TYR CE1 C 118.242 0.2 3
69 17 17 TYR N N 121.637 0.2 1
70 18 18 THR H H 8.391 0.02 1
71 18 18 THR HG2 H 1.241 0.02 1
72 18 18 THR C C 174.179 0.2 1
73 18 18 THR CA C 61.740 0.2 1
74 18 18 THR CB C 68.359 0.2 1
75 18 18 THR CG2 C 21.539 0.2 1
76 18 18 THR N N 118.178 0.2 1
77 19 19 LYS H H 8.529 0.02 1
78 19 19 LYS C C 174.781 0.2 1
79 19 19 LYS CA C 57.498 0.2 1
80 19 19 LYS CB C 31.825 0.2 1
81 19 19 LYS N N 123.939 0.2 1
82 20 20 ASP H H 7.356 0.02 1
83 20 20 ASP C C 174.699 0.2 1
84 20 20 ASP CA C 53.494 0.2 1
85 20 20 ASP CB C 44.124 0.2 1
86 20 20 ASP N N 115.929 0.2 1
87 21 21 ILE H H 9.488 0.02 1
88 21 21 ILE HD1 H 0.784 0.02 1
89 21 21 ILE C C 175.295 0.2 1
90 21 21 ILE CA C 60.993 0.2 1
91 21 21 ILE CB C 42.523 0.2 1
92 21 21 ILE CD1 C 14.908 0.2 1
93 21 21 ILE N N 124.158 0.2 1
94 22 22 SER H H 9.257 0.02 1
95 22 22 SER C C 172.823 0.2 1
96 22 22 SER CA C 57.255 0.2 1
97 22 22 SER CB C 64.793 0.2 1
98 22 22 SER N N 121.862 0.2 1
99 23 23 PHE H H 9.269 0.02 1
100 23 23 PHE HD1 H 6.087 0.02 3
101 23 23 PHE HE1 H 6.985 0.02 3
102 23 23 PHE C C 173.644 0.2 1
103 23 23 PHE CA C 56.748 0.2 1
104 23 23 PHE CB C 42.523 0.2 1
105 23 23 PHE CD1 C 132.374 0.2 3
106 23 23 PHE CE1 C 130.257 0.2 3
107 23 23 PHE N N 127.331 0.2 1
108 24 24 GLU H H 8.099 0.02 1
109 24 24 GLU C C 173.632 0.2 1
110 24 24 GLU CA C 54.994 0.2 1
111 24 24 GLU CB C 32.989 0.2 1
112 24 24 GLU N N 125.441 0.2 1
113 25 25 ALA H H 7.931 0.02 1
114 25 25 ALA HB H 1.698 0.02 1
115 25 25 ALA C C 175.316 0.2 1
116 25 25 ALA CA C 48.487 0.2 1
117 25 25 ALA CB C 19.829 0.2 1
118 25 25 ALA N N 125.875 0.2 1
119 26 26 PRO C C 177.381 0.2 1
120 27 27 ASN H H 9.029 0.02 1
121 27 27 ASN C C 175.785 0.2 1
122 27 27 ASN CA C 51.499 0.2 1
123 27 27 ASN CB C 38.302 0.2 1
124 27 27 ASN N N 114.703 0.2 1
125 28 28 ALA H H 7.409 0.02 1
126 28 28 ALA HB H 1.139 0.02 1
127 28 28 ALA C C 175.575 0.2 1
128 28 28 ALA CA C 50.744 0.2 1
129 28 28 ALA CB C 17.998 0.2 1
130 28 28 ALA N N 124.439 0.2 1
131 29 29 PRO C C 174.506 0.2 1
132 29 29 PRO CA C 60.254 0.2 1
133 29 29 PRO CB C 30.988 0.2 1
134 30 30 HIS H H 7.632 0.02 1
135 30 30 HIS HD2 H 6.993 0.02 1
136 30 30 HIS HE1 H 7.826 0.02 1
137 30 30 HIS C C 178.802 0.2 1
138 30 30 HIS CA C 59.161 0.2 1
139 30 30 HIS CB C 28.939 0.2 1
140 30 30 HIS CD2 C 119.863 0.2 1
141 30 30 HIS CE1 C 138.452 0.2 1
142 30 30 HIS N N 118.421 0.2 1
143 31 31 VAL H H 7.660 0.02 1
144 31 31 VAL HG1 H 0.465 0.02 2
145 31 31 VAL HG2 H 1.133 0.02 2
146 31 31 VAL C C 175.801 0.2 1
147 31 31 VAL CA C 62.771 0.2 1
148 31 31 VAL CB C 30.806 0.2 1
149 31 31 VAL CG1 C 19.189 0.2 2
150 31 31 VAL CG2 C 21.720 0.2 2
151 31 31 VAL N N 116.392 0.2 1
152 32 32 PHE H H 6.942 0.02 1
153 32 32 PHE HD1 H 6.799 0.02 3
154 32 32 PHE HE1 H 7.017 0.02 3
155 32 32 PHE C C 176.643 0.2 1
156 32 32 PHE CA C 56.740 0.2 1
157 32 32 PHE CB C 36.119 0.2 1
158 32 32 PHE CD1 C 132.954 0.2 3
159 32 32 PHE CE1 C 130.974 0.2 3
160 32 32 PHE N N 119.499 0.2 1
161 33 33 GLN H H 7.405 0.02 1
162 33 33 GLN C C 176.270 0.2 1
163 33 33 GLN CA C 55.394 0.2 1
164 33 33 GLN CB C 28.259 0.2 1
165 33 33 GLN N N 114.878 0.2 1
166 34 34 LYS H H 7.090 0.02 1
167 34 34 LYS C C 176.513 0.2 1
168 34 34 LYS CA C 55.213 0.2 1
169 34 34 LYS CB C 32.407 0.2 1
170 34 34 LYS N N 119.111 0.2 1
171 35 35 ASP H H 8.409 0.02 1
172 35 35 ASP C C 176.676 0.2 1
173 35 35 ASP CA C 54.501 0.2 1
174 35 35 ASP CB C 39.903 0.2 1
175 35 35 ASP N N 122.851 0.2 1
176 36 36 TRP H H 8.661 0.02 1
177 36 36 TRP HD1 H 7.267 0.02 1
178 36 36 TRP HE1 H 10.355 0.02 1
179 36 36 TRP HE3 H 7.982 0.02 1
180 36 36 TRP HZ3 H 6.957 0.02 1
181 36 36 TRP C C 173.810 0.2 1
182 36 36 TRP CA C 56.227 0.2 1
183 36 36 TRP CB C 27.676 0.2 1
184 36 36 TRP CD1 C 128.561 0.2 1
185 36 36 TRP CE3 C 122.168 0.2 1
186 36 36 TRP CZ3 C 121.039 0.2 1
187 36 36 TRP N N 126.402 0.2 1
188 36 36 TRP NE1 N 131.154 0.2 1
189 37 37 GLN H H 6.275 0.02 1
190 37 37 GLN C C 172.239 0.2 1
191 37 37 GLN CA C 52.252 0.2 1
192 37 37 GLN CB C 27.895 0.2 1
193 37 37 GLN N N 125.936 0.2 1
194 38 38 PRO C C 176.823 0.2 1
195 38 38 PRO CA C 62.411 0.2 1
196 38 38 PRO CB C 30.880 0.2 1
197 39 39 GLU H H 8.399 0.02 1
198 39 39 GLU C C 175.704 0.2 1
199 39 39 GLU CA C 55.247 0.2 1
200 39 39 GLU CB C 30.296 0.2 1
201 39 39 GLU N N 121.098 0.2 1
202 40 40 VAL H H 8.586 0.02 1
203 40 40 VAL HG1 H 0.737 0.02 2
204 40 40 VAL HG2 H 0.779 0.02 2
205 40 40 VAL C C 174.960 0.2 1
206 40 40 VAL CA C 61.241 0.2 1
207 40 40 VAL CB C 32.407 0.2 1
208 40 40 VAL CG1 C 20.787 0.2 2
209 40 40 VAL CG2 C 21.310 0.2 2
210 40 40 VAL N N 127.833 0.2 1
211 41 41 LYS H H 8.788 0.02 1
212 41 41 LYS C C 174.150 0.2 1
213 41 41 LYS CA C 54.497 0.2 1
214 41 41 LYS CB C 33.499 0.2 1
215 41 41 LYS N N 129.949 0.2 1
216 42 42 LEU H H 8.453 0.02 1
217 42 42 LEU HD1 H 0.941 0.02 2
218 42 42 LEU HD2 H 0.994 0.02 2
219 42 42 LEU C C 175.050 0.2 1
220 42 42 LEU CA C 53.245 0.2 1
221 42 42 LEU CB C 44.634 0.2 1
222 42 42 LEU CD1 C 26.197 0.2 2
223 42 42 LEU CD2 C 25.762 0.2 2
224 42 42 LEU N N 127.698 0.2 1
225 43 43 ASP H H 9.126 0.02 1
226 43 43 ASP C C 173.761 0.2 1
227 43 43 ASP CA C 53.243 0.2 1
228 43 43 ASP CB C 44.529 0.2 1
229 43 43 ASP N N 126.654 0.2 1
230 44 44 LEU H H 8.271 0.02 1
231 44 44 LEU HD1 H 0.824 0.02 2
232 44 44 LEU HD2 H 1.007 0.02 2
233 44 44 LEU C C 175.799 0.2 1
234 44 44 LEU CA C 53.699 0.2 1
235 44 44 LEU CB C 45.143 0.2 1
236 44 44 LEU CD1 C 26.601 0.2 2
237 44 44 LEU CD2 C 26.759 0.2 2
238 44 44 LEU N N 122.340 0.2 1
239 45 45 ASP H H 8.872 0.02 1
240 45 45 ASP C C 174.101 0.2 1
241 45 45 ASP CA C 53.485 0.2 1
242 45 45 ASP CB C 44.124 0.2 1
243 45 45 ASP N N 120.255 0.2 1
244 46 46 THR H H 8.336 0.02 1
245 46 46 THR HG2 H 1.122 0.02 1
246 46 46 THR C C 172.174 0.2 1
247 46 46 THR CA C 59.490 0.2 1
248 46 46 THR CB C 70.615 0.2 1
249 46 46 THR CG2 C 20.838 0.2 1
250 46 46 THR N N 114.580 0.2 1
251 47 47 ALA H H 8.457 0.02 1
252 47 47 ALA HB H 1.434 0.02 1
253 47 47 ALA C C 175.365 0.2 1
254 47 47 ALA CA C 50.985 0.2 1
255 47 47 ALA CB C 22.904 0.2 1
256 47 47 ALA N N 126.382 0.2 1
257 48 48 SER H H 8.397 0.02 1
258 48 48 SER C C 173.923 0.2 1
259 48 48 SER CA C 56.739 0.2 1
260 48 48 SER CB C 66.904 0.2 1
261 48 48 SER N N 113.325 0.2 1
262 49 49 SER H H 9.134 0.02 1
263 49 49 SER C C 172.530 0.2 1
264 49 49 SER CA C 57.409 0.2 1
265 49 49 SER CB C 65.302 0.2 1
266 49 49 SER N N 114.664 0.2 1
267 50 50 GLN H H 8.832 0.02 1
268 50 50 GLN C C 175.591 0.2 1
269 50 50 GLN CA C 55.746 0.2 1
270 50 50 GLN CB C 28.113 0.2 1
271 50 50 GLN N N 125.426 0.2 1
272 51 51 LEU H H 8.773 0.02 1
273 51 51 LEU HD1 H 0.754 0.02 2
274 51 51 LEU HD2 H 0.718 0.02 2
275 51 51 LEU C C 176.579 0.2 1
276 51 51 LEU CA C 55.247 0.2 1
277 51 51 LEU CB C 41.941 0.2 1
278 51 51 LEU CD1 C 26.174 0.2 2
279 51 51 LEU CD2 C 22.304 0.2 2
280 51 51 LEU N N 128.962 0.2 1
281 52 52 ALA H H 8.067 0.02 1
282 52 52 ALA HB H 1.344 0.02 1
283 52 52 ALA C C 176.417 0.2 1
284 52 52 ALA CA C 50.471 0.2 1
285 52 52 ALA CB C 20.370 0.2 1
286 52 52 ALA N N 120.947 0.2 1
287 53 53 ASP H H 8.330 0.02 1
288 53 53 ASP C C 175.882 0.2 1
289 53 53 ASP CA C 57.247 0.2 1
290 53 53 ASP CB C 39.321 0.2 1
291 53 53 ASP N N 120.003 0.2 1
292 54 54 ASP H H 8.272 0.02 1
293 54 54 ASP C C 174.295 0.2 1
294 54 54 ASP CA C 53.999 0.2 1
295 54 54 ASP CB C 39.539 0.2 1
296 54 54 ASP N N 115.748 0.2 1
297 55 55 VAL H H 7.164 0.02 1
298 55 55 VAL HG1 H 0.757 0.02 2
299 55 55 VAL HG2 H 0.847 0.02 2
300 55 55 VAL C C 174.522 0.2 1
301 55 55 VAL CA C 61.742 0.2 1
302 55 55 VAL CB C 33.426 0.2 1
303 55 55 VAL CG1 C 22.446 0.2 2
304 55 55 VAL CG2 C 20.909 0.2 2
305 55 55 VAL N N 118.775 0.2 1
306 56 56 TYR H H 9.182 0.02 1
307 56 56 TYR HD1 H 7.036 0.02 3
308 56 56 TYR HE1 H 6.916 0.02 3
309 56 56 TYR C C 174.975 0.2 1
310 56 56 TYR CA C 56.497 0.2 1
311 56 56 TYR CB C 41.504 0.2 1
312 56 56 TYR CD1 C 131.918 0.2 3
313 56 56 TYR CE1 C 117.545 0.2 3
314 56 56 TYR N N 126.262 0.2 1
315 57 57 GLU H H 9.275 0.02 1
316 57 57 GLU C C 176.270 0.2 1
317 57 57 GLU CA C 53.996 0.2 1
318 57 57 GLU CB C 31.388 0.2 1
319 57 57 GLU N N 123.036 0.2 1
320 58 58 VAL H H 9.062 0.02 1
321 58 58 VAL HG1 H 0.806 0.02 2
322 58 58 VAL HG2 H 1.002 0.02 2
323 58 58 VAL C C 173.712 0.2 1
324 58 58 VAL CA C 60.985 0.2 1
325 58 58 VAL CB C 33.499 0.2 1
326 58 58 VAL CG1 C 20.514 0.2 2
327 58 58 VAL CG2 C 21.936 0.2 2
328 58 58 VAL N N 128.561 0.2 1
329 59 59 VAL H H 8.911 0.02 1
330 59 59 VAL HG1 H 0.833 0.02 2
331 59 59 VAL HG2 H 0.750 0.02 2
332 59 59 VAL C C 174.538 0.2 1
333 59 59 VAL CA C 59.772 0.2 1
334 59 59 VAL CB C 33.513 0.2 1
335 59 59 VAL CG1 C 21.289 0.2 2
336 59 59 VAL CG2 C 21.526 0.2 2
337 59 59 VAL N N 124.198 0.2 1
338 60 60 LEU H H 9.166 0.02 1
339 60 60 LEU HD1 H 1.103 0.02 2
340 60 60 LEU HD2 H 1.051 0.02 2
341 60 60 LEU C C 173.340 0.2 1
342 60 60 LEU CA C 52.743 0.2 1
343 60 60 LEU CB C 44.634 0.2 1
344 60 60 LEU CD1 C 23.784 0.2 2
345 60 60 LEU CD2 C 27.492 0.2 2
346 60 60 LEU N N 129.781 0.2 1
347 61 61 ARG H H 9.361 0.02 1
348 61 61 ARG C C 175.105 0.2 1
349 61 61 ARG CA C 53.997 0.2 1
350 61 61 ARG CB C 30.806 0.2 1
351 61 61 ARG N N 131.280 0.2 1
352 62 62 VAL H H 8.851 0.02 1
353 62 62 VAL HG1 H 1.016 0.02 2
354 62 62 VAL HG2 H 0.946 0.02 2
355 62 62 VAL C C 174.246 0.2 1
356 62 62 VAL CA C 60.734 0.2 1
357 62 62 VAL CB C 33.426 0.2 1
358 62 62 VAL CG1 C 20.791 0.2 2
359 62 62 VAL CG2 C 22.091 0.2 2
360 62 62 VAL N N 126.163 0.2 1
361 63 63 THR H H 9.030 0.02 1
362 63 63 THR HG2 H 1.306 0.02 1
363 63 63 THR C C 173.777 0.2 1
364 63 63 THR CA C 61.734 0.2 1
365 63 63 THR CB C 69.596 0.2 1
366 63 63 THR CG2 C 21.561 0.2 1
367 63 63 THR N N 124.158 0.2 1
368 64 64 VAL H H 9.600 0.02 1
369 64 64 VAL HG1 H 0.975 0.02 2
370 64 64 VAL HG2 H 1.055 0.02 2
371 64 64 VAL C C 174.505 0.2 1
372 64 64 VAL CA C 59.993 0.2 1
373 64 64 VAL CB C 34.081 0.2 1
374 64 64 VAL CG1 C 21.814 0.2 2
375 64 64 VAL CG2 C 22.273 0.2 2
376 64 64 VAL N N 127.065 0.2 1
377 65 65 THR H H 8.585 0.02 1
378 65 65 THR HG2 H 1.091 0.02 1
379 65 65 THR C C 172.886 0.2 1
380 65 65 THR CA C 60.979 0.2 1
381 65 65 THR CB C 69.596 0.2 1
382 65 65 THR CG2 C 20.964 0.2 1
383 65 65 THR N N 122.101 0.2 1
384 66 66 ALA H H 8.334 0.02 1
385 66 66 ALA HB H 0.180 0.02 1
386 66 66 ALA C C 175.931 0.2 1
387 66 66 ALA CA C 48.993 0.2 1
388 66 66 ALA CB C 19.631 0.2 1
389 66 66 ALA N N 128.761 0.2 1
390 67 67 SER H H 8.777 0.02 1
391 67 67 SER C C 172.190 0.2 1
392 67 67 SER CA C 57.236 0.2 1
393 67 67 SER CB C 64.793 0.2 1
394 67 67 SER N N 119.611 0.2 1
395 68 68 LEU H H 8.597 0.02 1
396 68 68 LEU HD1 H 0.479 0.02 2
397 68 68 LEU HD2 H 0.971 0.02 2
398 68 68 LEU C C 176.643 0.2 1
399 68 68 LEU CA C 52.243 0.2 1
400 68 68 LEU CB C 40.995 0.2 1
401 68 68 LEU CD1 C 22.636 0.2 2
402 68 68 LEU CD2 C 26.001 0.2 2
403 68 68 LEU N N 124.616 0.2 1
404 69 69 GLY H H 8.653 0.02 1
405 69 69 GLY C C 175.007 0.2 1
406 69 69 GLY CA C 46.498 0.2 1
407 69 69 GLY N N 116.100 0.2 1
408 70 70 GLU H H 8.821 0.02 1
409 70 70 GLU C C 175.939 0.2 1
410 70 70 GLU CA C 56.225 0.2 1
411 70 70 GLU CB C 28.360 0.2 1
412 70 70 GLU N N 125.299 0.2 1
413 71 71 GLU H H 7.585 0.02 1
414 71 71 GLU C C 175.688 0.2 1
415 71 71 GLU CA C 54.478 0.2 1
416 71 71 GLU CB C 31.024 0.2 1
417 71 71 GLU N N 120.136 0.2 1
418 72 72 THR H H 8.637 0.02 1
419 72 72 THR HG2 H 0.907 0.02 1
420 72 72 THR C C 174.149 0.2 1
421 72 72 THR CA C 63.993 0.2 1
422 72 72 THR CB C 68.068 0.2 1
423 72 72 THR CG2 C 21.929 0.2 1
424 72 72 THR N N 122.499 0.2 1
425 73 73 ALA H H 9.516 0.02 1
426 73 73 ALA HB H 1.225 0.02 1
427 73 73 ALA C C 176.472 0.2 1
428 73 73 ALA CA C 52.995 0.2 1
429 73 73 ALA CB C 18.923 0.2 1
430 73 73 ALA N N 132.896 0.2 1
431 74 74 PHE H H 7.232 0.02 1
432 74 74 PHE HD1 H 7.342 0.02 3
433 74 74 PHE HE1 H 7.283 0.02 3
434 74 74 PHE C C 171.818 0.2 1
435 74 74 PHE CA C 56.243 0.2 1
436 74 74 PHE CB C 39.903 0.2 1
437 74 74 PHE CD1 C 132.110 0.2 3
438 74 74 PHE CE1 C 131.283 0.2 3
439 74 74 PHE N N 108.604 0.2 1
440 75 75 LEU H H 8.369 0.02 1
441 75 75 LEU HD1 H 0.822 0.02 2
442 75 75 LEU C C 175.891 0.2 1
443 75 75 LEU CA C 53.770 0.2 1
444 75 75 LEU CB C 44.197 0.2 1
445 75 75 LEU CD1 C 25.172 0.2 2
446 75 75 LEU N N 121.098 0.2 1
447 76 76 CYS H H 9.481 0.02 1
448 76 76 CYS C C 171.818 0.2 1
449 76 76 CYS CA C 56.496 0.2 1
450 76 76 CYS CB C 29.714 0.2 1
451 76 76 CYS N N 123.441 0.2 1
452 77 77 GLU H H 9.516 0.02 1
453 77 77 GLU C C 174.280 0.2 1
454 77 77 GLU CA C 54.684 0.2 1
455 77 77 GLU CB C 32.910 0.2 1
456 77 77 GLU N N 128.770 0.2 1
457 78 78 VAL H H 8.884 0.02 1
458 78 78 VAL HG1 H 1.109 0.02 2
459 78 78 VAL HG2 H 1.127 0.02 2
460 78 78 VAL C C 173.939 0.2 1
461 78 78 VAL CA C 59.243 0.2 1
462 78 78 VAL CB C 33.499 0.2 1
463 78 78 VAL CG1 C 20.643 0.2 2
464 78 78 VAL CG2 C 22.591 0.2 2
465 78 78 VAL N N 123.731 0.2 1
466 79 79 GLN H H 8.762 0.02 1
467 79 79 GLN C C 173.939 0.2 1
468 79 79 GLN CA C 54.781 0.2 1
469 79 79 GLN CB C 28.550 0.2 1
470 79 79 GLN N N 124.576 0.2 1
471 80 80 GLN H H 9.435 0.02 1
472 80 80 GLN C C 173.210 0.2 1
473 80 80 GLN CA C 53.738 0.2 1
474 80 80 GLN CB C 29.205 0.2 1
475 80 80 GLN N N 128.844 0.2 1
476 81 81 GLY H H 9.332 0.02 1
477 81 81 GLY C C 172.061 0.2 1
478 81 81 GLY CA C 42.994 0.2 1
479 81 81 GLY N N 116.406 0.2 1
480 82 82 GLY H H 8.394 0.02 1
481 82 82 GLY C C 171.764 0.2 1
482 82 82 GLY CA C 45.026 0.2 1
483 82 82 GLY N N 105.876 0.2 1
484 83 83 ILE H H 8.194 0.02 1
485 83 83 ILE HD1 H 0.736 0.02 1
486 83 83 ILE C C 177.999 0.2 1
487 83 83 ILE CA C 59.239 0.2 1
488 83 83 ILE CB C 38.811 0.2 1
489 83 83 ILE CD1 C 13.139 0.2 1
490 83 83 ILE N N 121.028 0.2 1
491 84 84 PHE H H 9.314 0.02 1
492 84 84 PHE HD1 H 6.957 0.02 3
493 84 84 PHE HE1 H 7.201 0.02 3
494 84 84 PHE C C 175.007 0.2 1
495 84 84 PHE CA C 55.000 0.2 1
496 84 84 PHE CB C 41.431 0.2 1
497 84 84 PHE CD1 C 132.140 0.2 3
498 84 84 PHE CE1 C 130.699 0.2 3
499 84 84 PHE N N 125.360 0.2 1
500 85 85 SER H H 8.969 0.02 1
501 85 85 SER C C 174.149 0.2 1
502 85 85 SER CA C 56.669 0.2 1
503 85 85 SER CB C 62.755 0.2 1
504 85 85 SER N N 120.826 0.2 1
505 86 86 ILE H H 8.425 0.02 1
506 86 86 ILE HD1 H 0.594 0.02 1
507 86 86 ILE C C 174.037 0.2 1
508 86 86 ILE CA C 60.475 0.2 1
509 86 86 ILE CB C 40.922 0.2 1
510 86 86 ILE CD1 C 14.457 0.2 1
511 86 86 ILE N N 125.857 0.2 1
512 87 87 ALA H H 8.643 0.02 1
513 87 87 ALA HB H 1.426 0.02 1
514 87 87 ALA C C 177.065 0.2 1
515 87 87 ALA CA C 50.756 0.2 1
516 87 87 ALA CB C 22.377 0.2 1
517 87 87 ALA N N 127.905 0.2 1
518 88 88 GLY H H 8.632 0.02 1
519 88 88 GLY C C 173.696 0.2 1
520 88 88 GLY CA C 45.490 0.2 1
521 88 88 GLY N N 107.644 0.2 1
522 89 89 ILE H H 7.213 0.02 1
523 89 89 ILE HD1 H 0.670 0.02 1
524 89 89 ILE C C 174.538 0.2 1
525 89 89 ILE CA C 58.758 0.2 1
526 89 89 ILE CB C 39.830 0.2 1
527 89 89 ILE CD1 C 13.085 0.2 1
528 89 89 ILE N N 114.802 0.2 1
529 90 90 GLU H H 8.521 0.02 1
530 90 90 GLU C C 177.211 0.2 1
531 90 90 GLU CA C 54.994 0.2 1
532 90 90 GLU CB C 31.388 0.2 1
533 90 90 GLU N N 122.432 0.2 1
534 91 91 GLY H H 8.632 0.02 1
535 91 91 GLY C C 176.870 0.2 1
536 91 91 GLY CA C 46.738 0.2 1
537 91 91 GLY N N 109.129 0.2 1
538 92 92 THR HG2 H 1.396 0.02 1
539 92 92 THR C C 176.622 0.2 1
540 92 92 THR CB C 68.468 0.2 1
541 92 92 THR CG2 C 22.215 0.2 1
542 93 93 GLN H H 8.070 0.02 1
543 93 93 GLN C C 178.586 0.2 1
544 93 93 GLN CA C 57.993 0.2 1
545 93 93 GLN CB C 27.604 0.2 1
546 93 93 GLN N N 121.709 0.2 1
547 94 94 MET H H 7.092 0.02 1
548 94 94 MET HE H 1.710 0.02 1
549 94 94 MET C C 176.983 0.2 1
550 94 94 MET CA C 56.743 0.2 1
551 94 94 MET CB C 30.198 0.2 1
552 94 94 MET CE C 17.637 0.2 1
553 94 94 MET N N 121.740 0.2 1
554 95 95 ALA H H 7.908 0.02 1
555 95 95 ALA HB H 1.639 0.02 1
556 95 95 ALA C C 180.545 0.2 1
557 95 95 ALA CA C 54.970 0.2 1
558 95 95 ALA CB C 17.480 0.2 1
559 95 95 ALA N N 122.253 0.2 1
560 96 96 HIS H H 7.965 0.02 1
561 96 96 HIS HD2 H 7.029 0.02 1
562 96 96 HIS HE1 H 7.763 0.02 1
563 96 96 HIS C C 177.453 0.2 1
564 96 96 HIS CA C 59.258 0.2 1
565 96 96 HIS CB C 29.714 0.2 1
566 96 96 HIS CD2 C 119.253 0.2 1
567 96 96 HIS CE1 C 139.384 0.2 1
568 96 96 HIS N N 119.273 0.2 1
569 97 97 CYS H H 7.957 0.02 1
570 97 97 CYS C C 176.044 0.2 1
571 97 97 CYS CA C 61.722 0.2 1
572 97 97 CYS CB C 26.003 0.2 1
573 97 97 CYS N N 124.251 0.2 1
574 98 98 LEU H H 8.068 0.02 1
575 98 98 LEU HD1 H 0.274 0.02 2
576 98 98 LEU HD2 H 0.515 0.02 2
577 98 98 LEU C C 172.886 0.2 1
578 98 98 LEU CA C 57.248 0.2 1
579 98 98 LEU CB C 41.286 0.2 1
580 98 98 LEU CD1 C 21.630 0.2 2
581 98 98 LEU CD2 C 25.042 0.2 2
582 98 98 LEU N N 117.521 0.2 1
583 99 99 GLY H H 7.762 0.02 1
584 99 99 GLY C C 172.886 0.2 1
585 99 99 GLY CA C 44.752 0.2 1
586 99 99 GLY N N 102.530 0.2 1
587 100 100 ALA H H 7.535 0.02 1
588 100 100 ALA HB H 0.798 0.02 1
589 100 100 ALA C C 176.044 0.2 1
590 100 100 ALA CA C 52.991 0.2 1
591 100 100 ALA CB C 20.200 0.2 1
592 100 100 ALA N N 120.517 0.2 1
593 101 101 TYR H H 7.203 0.02 1
594 101 101 TYR HD1 H 7.245 0.02 3
595 101 101 TYR HE1 H 6.426 0.02 3
596 101 101 TYR C C 180.157 0.2 1
597 101 101 TYR CA C 61.534 0.2 1
598 101 101 TYR CD1 C 131.579 0.2 3
599 101 101 TYR CE1 C 116.427 0.2 3
600 101 101 TYR N N 122.129 0.2 1
601 102 102 CYS H H 8.639 0.02 1
602 102 102 CYS C C 175.364 0.2 1
603 102 102 CYS CA C 64.993 0.2 1
604 102 102 CYS CB C 25.275 0.2 1
605 102 102 CYS N N 114.905 0.2 1
606 105 105 ILE H H 7.291 0.02 1
607 105 105 ILE HD1 H 0.762 0.02 1
608 105 105 ILE C C 177.825 0.2 1
609 105 105 ILE CA C 62.773 0.2 1
610 105 105 ILE CB C 36.628 0.2 1
611 105 105 ILE CD1 C 13.717 0.2 1
612 105 105 ILE N N 119.950 0.2 1
613 106 106 LEU HD1 H 0.708 0.02 2
614 106 106 LEU HD2 H 0.827 0.02 2
615 106 106 LEU CD1 C 22.581 0.2 2
616 106 106 LEU CD2 C 25.525 0.2 2
617 107 107 PHE HD1 H 7.173 0.02 3
618 107 107 PHE HE1 H 7.296 0.02 3
619 107 107 PHE CD1 C 131.967 0.2 3
620 107 107 PHE CE1 C 130.589 0.2 3
621 108 108 PRO CA C 66.012 0.2 1
622 109 109 TYR H H 7.153 0.02 1
623 109 109 TYR HD1 H 7.351 0.02 3
624 109 109 TYR HE1 H 5.983 0.02 3
625 109 109 TYR C C 177.712 0.2 1
626 109 109 TYR CA C 60.746 0.2 1
627 109 109 TYR CB C 36.191 0.2 1
628 109 109 TYR CD1 C 131.316 0.2 3
629 109 109 TYR CE1 C 118.521 0.2 3
630 109 109 TYR N N 116.895 0.2 1
631 110 110 ALA H H 7.565 0.02 1
632 110 110 ALA HB H 1.292 0.02 1
633 110 110 ALA C C 178.559 0.2 1
634 110 110 ALA CA C 54.727 0.2 1
635 110 110 ALA CB C 17.568 0.2 1
636 110 110 ALA N N 124.632 0.2 1
637 111 111 ARG H H 8.557 0.02 1
638 111 111 ARG C C 178.035 0.2 1
639 111 111 ARG CA C 59.479 0.2 1
640 111 111 ARG CB C 28.186 0.2 1
641 111 111 ARG N N 116.117 0.2 1
642 112 112 GLU H H 6.702 0.02 1
643 112 112 GLU C C 176.335 0.2 1
644 112 112 GLU CA C 58.992 0.2 1
645 112 112 GLU CB C 28.113 0.2 1
646 112 112 GLU N N 118.859 0.2 1
647 113 113 CYS H H 7.233 0.02 1
648 113 113 CYS C C 176.798 0.2 1
649 113 113 CYS CA C 62.294 0.2 1
650 113 113 CYS CB C 26.003 0.2 1
651 113 113 CYS N N 120.275 0.2 1
652 114 114 ILE H H 7.890 0.02 1
653 114 114 ILE HD1 H 0.748 0.02 1
654 114 114 ILE C C 177.339 0.2 1
655 114 114 ILE CA C 64.732 0.2 1
656 114 114 ILE CB C 35.609 0.2 1
657 114 114 ILE CD1 C 12.614 0.2 1
658 114 114 ILE N N 119.107 0.2 1
659 115 115 THR H H 8.646 0.02 1
660 115 115 THR C C 177.069 0.2 1
661 115 115 THR CA C 66.500 0.2 1
662 115 115 THR CB C 68.432 0.2 1
663 115 115 THR N N 116.344 0.2 1
664 116 116 SER H H 8.356 0.02 1
665 116 116 SER C C 176.258 0.2 1
666 116 116 SER CA C 60.487 0.2 1
667 116 116 SER CB C 62.537 0.2 1
668 116 116 SER N N 117.693 0.2 1
669 117 117 MET H H 7.902 0.02 1
670 117 117 MET HE H 1.981 0.02 1
671 117 117 MET CA C 58.006 0.2 1
672 117 117 MET CB C 32.407 0.2 1
673 117 117 MET CE C 18.652 0.2 1
674 117 117 MET N N 120.866 0.2 1
675 118 118 VAL H H 7.876 0.02 1
676 118 118 VAL HG1 H 0.613 0.02 2
677 118 118 VAL HG2 H 0.591 0.02 2
678 118 118 VAL C C 178.548 0.2 1
679 118 118 VAL CA C 66.500 0.2 1
680 118 118 VAL CB C 29.961 0.2 1
681 118 118 VAL CG1 C 23.341 0.2 2
682 118 118 VAL CG2 C 24.212 0.2 2
683 118 118 VAL N N 119.020 0.2 1
684 119 119 SER H H 7.701 0.02 1
685 119 119 SER CA C 61.149 0.2 1
686 119 119 SER CB C 62.431 0.2 1
687 119 119 SER N N 114.027 0.2 1
688 120 120 ARG C C 179.430 0.2 1
689 121 121 GLY H H 7.966 0.02 1
690 121 121 GLY C C 172.146 0.2 1
691 121 121 GLY CA C 45.505 0.2 1
692 121 121 GLY N N 107.408 0.2 1
693 122 122 THR H H 7.862 0.02 1
694 122 122 THR HG2 H 1.143 0.02 1
695 122 122 THR C C 173.113 0.2 1
696 122 122 THR CA C 62.245 0.2 1
697 122 122 THR CB C 67.922 0.2 1
698 122 122 THR CG2 C 21.115 0.2 1
699 122 122 THR N N 112.286 0.2 1
700 123 123 PHE H H 7.114 0.02 1
701 123 123 PHE HD1 H 6.530 0.02 3
702 123 123 PHE HE1 H 7.455 0.02 3
703 123 123 PHE C C 172.174 0.2 1
704 123 123 PHE CA C 57.424 0.2 1
705 123 123 PHE CB C 37.720 0.2 1
706 123 123 PHE CD1 C 133.735 0.2 3
707 123 123 PHE CE1 C 130.680 0.2 3
708 123 123 PHE N N 119.139 0.2 1
709 124 124 PRO C C 174.506 0.2 1
710 124 124 PRO CA C 62.254 0.2 1
711 124 124 PRO CB C 30.988 0.2 1
712 125 125 GLN H H 7.566 0.02 1
713 125 125 GLN C C 175.574 0.2 1
714 125 125 GLN CA C 57.253 0.2 1
715 125 125 GLN CB C 28.695 0.2 1
716 125 125 GLN N N 118.403 0.2 1
717 126 126 LEU H H 7.601 0.02 1
718 126 126 LEU HD1 H 1.055 0.02 2
719 126 126 LEU HD2 H 0.991 0.02 2
720 126 126 LEU C C 174.749 0.2 1
721 126 126 LEU CA C 53.251 0.2 1
722 126 126 LEU CB C 42.537 0.2 1
723 126 126 LEU CD1 C 23.665 0.2 2
724 126 126 LEU CD2 C 26.448 0.2 2
725 126 126 LEU N N 127.803 0.2 1
726 127 127 ASN H H 8.939 0.02 1
727 127 127 ASN C C 174.230 0.2 1
728 127 127 ASN CA C 50.506 0.2 1
729 127 127 ASN CB C 39.321 0.2 1
730 127 127 ASN N N 126.780 0.2 1
731 128 128 LEU H H 8.235 0.02 1
732 128 128 LEU HD1 H 0.946 0.02 2
733 128 128 LEU HD2 H 0.845 0.02 2
734 128 128 LEU C C 176.239 0.2 1
735 128 128 LEU CA C 55.061 0.2 1
736 128 128 LEU CB C 41.723 0.2 1
737 128 128 LEU CD1 C 22.240 0.2 2
738 128 128 LEU CD2 C 26.679 0.2 2
739 128 128 LEU N N 121.930 0.2 1
740 129 129 ALA H H 8.453 0.02 1
741 129 129 ALA HB H 1.596 0.02 1
742 129 129 ALA C C 174.790 0.2 1
743 129 129 ALA CA C 50.492 0.2 1
744 129 129 ALA CB C 17.351 0.2 1
745 129 129 ALA N N 129.811 0.2 1
746 130 130 PRO C C 175.108 0.2 1
747 130 130 PRO CA C 63.464 0.2 1
748 131 131 VAL H H 6.799 0.02 1
749 131 131 VAL HG1 H -0.295 0.02 2
750 131 131 VAL HG2 H 0.252 0.02 2
751 131 131 VAL CA C 60.188 0.2 1
752 131 131 VAL CB C 38.811 0.2 1
753 131 131 VAL CG1 C 19.616 0.2 2
754 131 131 VAL CG2 C 21.065 0.2 2
755 131 131 VAL N N 122.601 0.2 1
756 132 132 ASN C C 175.973 0.2 1
757 132 132 ASN CA C 54.942 0.2 1
758 133 133 PHE H H 8.800 0.02 1
759 133 133 PHE HD1 H 7.096 0.02 3
760 133 133 PHE HE1 H 7.229 0.02 3
761 133 133 PHE C C 177.938 0.2 1
762 133 133 PHE CA C 62.301 0.2 1
763 133 133 PHE CB C 38.520 0.2 1
764 133 133 PHE CD1 C 134.263 0.2 3
765 133 133 PHE CE1 C 130.083 0.2 3
766 133 133 PHE N N 124.344 0.2 1
767 134 134 ASP H H 8.153 0.02 1
768 134 134 ASP C C 178.149 0.2 1
769 134 134 ASP CA C 57.846 0.2 1
770 134 134 ASP CB C 39.322 0.2 1
771 134 134 ASP N N 122.028 0.2 1
772 135 135 ALA H H 7.297 0.02 1
773 135 135 ALA HB H 1.403 0.02 1
774 135 135 ALA C C 180.254 0.2 1
775 135 135 ALA CA C 53.759 0.2 1
776 135 135 ALA CB C 18.035 0.2 1
777 135 135 ALA N N 122.446 0.2 1
778 136 136 LEU H H 7.324 0.02 1
779 136 136 LEU HD1 H 0.805 0.02 2
780 136 136 LEU HD2 H 0.638 0.02 2
781 136 136 LEU C C 179.250 0.2 1
782 136 136 LEU CA C 57.279 0.2 1
783 136 136 LEU CB C 40.995 0.2 1
784 136 136 LEU CD1 C 23.508 0.2 2
785 136 136 LEU CD2 C 24.809 0.2 2
786 136 136 LEU N N 118.722 0.2 1
787 137 137 PHE H H 8.138 0.02 1
788 137 137 PHE HD1 H 7.000 0.02 3
789 137 137 PHE HE1 H 7.101 0.02 3
790 137 137 PHE C C 176.840 0.2 1
791 137 137 PHE CA C 60.232 0.2 1
792 137 137 PHE CB C 38.739 0.2 1
793 137 137 PHE CD1 C 131.214 0.2 3
794 137 137 PHE CE1 C 130.490 0.2 3
795 137 137 PHE N N 120.795 0.2 1
796 138 138 MET H H 7.950 0.02 1
797 138 138 MET HE H 2.086 0.02 1
798 138 138 MET C C 178.262 0.2 1
799 138 138 MET CA C 57.245 0.2 1
800 138 138 MET CB C 30.806 0.2 1
801 138 138 MET CE C 16.805 0.2 1
802 138 138 MET N N 118.181 0.2 1
803 139 139 ASN H H 7.875 0.02 1
804 139 139 ASN C C 176.756 0.2 1
805 139 139 ASN CA C 55.232 0.2 1
806 139 139 ASN CB C 37.720 0.2 1
807 139 139 ASN N N 118.324 0.2 1
808 140 140 TYR H H 7.736 0.02 1
809 140 140 TYR HD1 H 7.028 0.02 3
810 140 140 TYR HE1 H 6.844 0.02 3
811 140 140 TYR C C 177.339 0.2 1
812 140 140 TYR CA C 59.722 0.2 1
813 140 140 TYR CB C 36.701 0.2 1
814 140 140 TYR CD1 C 133.249 0.2 3
815 140 140 TYR CE1 C 118.224 0.2 3
816 140 140 TYR N N 121.729 0.2 1
817 141 141 LEU H H 7.829 0.02 1
818 141 141 LEU HD1 H 0.728 0.02 2
819 141 141 LEU HD2 H 0.784 0.02 2
820 141 141 LEU C C 179.201 0.2 1
821 141 141 LEU CA C 56.294 0.2 1
822 141 141 LEU CB C 40.849 0.2 1
823 141 141 LEU CD1 C 22.771 0.2 2
824 141 141 LEU CD2 C 25.241 0.2 2
825 141 141 LEU N N 120.839 0.2 1
826 142 142 GLN H H 7.776 0.02 1
827 142 142 GLN C C 177.258 0.2 1
828 142 142 GLN CA C 56.827 0.2 1
829 142 142 GLN CB C 27.604 0.2 1
830 142 142 GLN N N 118.815 0.2 1
831 143 143 GLN H H 7.799 0.02 1
832 143 143 GLN C C 176.983 0.2 1
833 143 143 GLN CA C 56.483 0.2 1
834 143 143 GLN CB C 27.639 0.2 1
835 143 143 GLN N N 119.651 0.2 1
836 144 144 GLN H H 7.835 0.02 1
837 144 144 GLN C C 176.157 0.2 1
838 144 144 GLN CA C 55.744 0.2 1
839 144 144 GLN CB C 28.113 0.2 1
840 144 144 GLN N N 119.704 0.2 1
841 145 145 ALA H H 7.829 0.02 1
842 145 145 ALA HB H 1.391 0.02 1
843 145 145 ALA C C 178.262 0.2 1
844 145 145 ALA CA C 52.702 0.2 1
845 145 145 ALA CB C 18.927 0.2 1
846 145 145 ALA N N 124.024 0.2 1
847 146 146 GLY H H 7.974 0.02 1
848 146 146 GLY C C 174.165 0.2 1
849 146 146 GLY CA C 44.750 0.2 1
850 146 146 GLY N N 107.895 0.2 1
851 147 147 GLU H H 8.111 0.02 1
852 147 147 GLU C C 177.096 0.2 1
853 147 147 GLU CA C 56.212 0.2 1
854 147 147 GLU CB C 29.205 0.2 1
855 147 147 GLU N N 121.198 0.2 1
856 148 148 GLY H H 8.369 0.02 1
857 148 148 GLY C C 174.408 0.2 1
858 148 148 GLY CA C 44.992 0.2 1
859 148 148 GLY N N 110.506 0.2 1
860 149 149 THR H H 7.883 0.02 1
861 149 149 THR HG2 H 1.171 0.02 1
862 149 149 THR C C 174.570 0.2 1
863 149 149 THR CA C 61.240 0.2 1
864 149 149 THR CB C 69.160 0.2 1
865 149 149 THR CG2 C 21.446 0.2 1
866 149 149 THR N N 113.739 0.2 1
867 150 150 GLU H H 8.359 0.02 1
868 150 150 GLU C C 176.288 0.2 1
869 150 150 GLU CA C 56.016 0.2 1
870 150 150 GLU CB C 29.205 0.2 1
871 150 150 GLU N N 123.574 0.2 1
872 151 151 GLU H H 8.231 0.02 1
873 151 151 GLU C C 176.157 0.2 1
874 151 151 GLU CA C 55.994 0.2 1
875 151 151 GLU CB C 29.496 0.2 1
876 151 151 GLU N N 122.426 0.2 1
877 152 152 HIS HD2 H 7.109 0.02 1
878 152 152 HIS HE1 H 8.154 0.02 1
879 152 152 HIS CD2 C 120.005 0.2 1
880 152 152 HIS CE1 C 137.608 0.2 1
881 153 153 GLN C C 175.430 0.2 1
882 153 153 GLN CA C 55.243 0.2 1
883 153 153 GLN CB C 29.125 0.2 1
884 154 154 ASP H H 8.372 0.02 1
885 154 154 ASP CA C 54.273 0.2 1
886 154 154 ASP CB C 40.673 0.2 1
887 154 154 ASP N N 122.845 0.2 1
888 155 155 ALA H H 7.690 0.02 1
889 155 155 ALA HB H 1.296 0.02 1
890 155 155 ALA CB C 20.138 0.2 1
891 155 155 ALA N N 129.862 0.2 1
stop_
save_
save_assigned_chemical_shifts_5
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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_2, chain 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
1 168 1 LYS H H 8.239 0.02 1
2 168 1 LYS C C 177.391 0.2 1
3 168 1 LYS CA C 56.711 0.2 1
4 168 1 LYS CB C 32.972 0.2 1
5 168 1 LYS N N 120.269 0.2 1
6 169 2 GLY H H 8.339 0.02 1
7 169 2 GLY C C 174.242 0.2 1
8 169 2 GLY CA C 45.348 0.2 1
9 169 2 GLY N N 109.557 0.2 1
10 170 3 LYS H H 8.245 0.02 1
11 170 3 LYS C C 177.046 0.2 1
12 170 3 LYS CA C 56.594 0.2 1
13 170 3 LYS CB C 32.966 0.2 1
14 170 3 LYS N N 121.004 0.2 1
15 171 4 SER H H 8.367 0.02 1
16 171 4 SER C C 174.536 0.2 1
17 171 4 SER CA C 58.728 0.2 1
18 171 4 SER CB C 63.740 0.2 1
19 171 4 SER N N 116.833 0.2 1
20 172 5 ALA H H 8.342 0.02 1
21 172 5 ALA HB H 1.327 0.02 1
22 172 5 ALA C C 177.796 0.2 1
23 172 5 ALA CA C 52.877 0.2 1
24 172 5 ALA CB C 19.030 0.2 1
25 172 5 ALA N N 125.779 0.2 1
26 173 6 LEU H H 8.029 0.02 1
27 173 6 LEU HD1 H 0.838 0.02 2
28 173 6 LEU HD2 H 0.759 0.02 2
29 173 6 LEU C C 177.354 0.2 1
30 173 6 LEU CA C 55.359 0.2 1
31 173 6 LEU CB C 42.129 0.2 1
32 173 6 LEU CD1 C 25.099 0.2 2
33 173 6 LEU CD2 C 23.768 0.2 2
34 173 6 LEU N N 120.060 0.2 1
35 174 7 MET H H 8.073 0.02 1
36 174 7 MET HE H 1.843 0.02 1
37 174 7 MET C C 175.820 0.2 1
38 174 7 MET CA C 55.368 0.2 1
39 174 7 MET CB C 32.719 0.2 1
40 174 7 MET CE C 17.509 0.2 1
41 174 7 MET N N 119.755 0.2 1
42 175 8 PHE H H 8.080 0.02 1
43 175 8 PHE C C 175.202 0.2 1
44 175 8 PHE CA C 57.886 0.2 1
45 175 8 PHE CB C 39.593 0.2 1
46 175 8 PHE N N 120.431 0.2 1
47 176 9 ASN H H 8.341 0.02 1
48 176 9 ASN C C 174.873 0.2 1
49 176 9 ASN CA C 53.156 0.2 1
50 176 9 ASN CB C 38.767 0.2 1
51 176 9 ASN N N 119.979 0.2 1
52 177 10 LEU H H 8.185 0.02 1
53 177 10 LEU HD1 H 0.885 0.02 2
54 177 10 LEU HD2 H 0.847 0.02 2
55 177 10 LEU C C 177.201 0.2 1
56 177 10 LEU CA C 55.630 0.2 1
57 177 10 LEU CB C 42.147 0.2 1
58 177 10 LEU CD1 C 25.294 0.2 2
59 177 10 LEU CD2 C 23.501 0.2 2
60 177 10 LEU N N 122.241 0.2 1
61 178 11 GLN H H 8.259 0.02 1
62 178 11 GLN C C 175.667 0.2 1
63 178 11 GLN CA C 55.654 0.2 1
64 178 11 GLN CB C 29.347 0.2 1
65 178 11 GLN N N 119.771 0.2 1
66 179 12 GLU H H 8.182 0.02 1
67 179 12 GLU CA C 57.112 0.2 1
68 179 12 GLU CB C 29.669 0.2 1
69 179 12 GLU N N 122.811 0.2 1
70 180 13 PRO C C 176.376 0.2 1
71 180 13 PRO CA C 63.459 0.2 1
72 180 13 PRO CB C 31.863 0.2 1
73 181 14 TYR H H 7.993 0.02 1
74 181 14 TYR C C 175.199 0.2 1
75 181 14 TYR CA C 57.663 0.2 1
76 181 14 TYR CB C 38.630 0.2 1
77 181 14 TYR N N 119.314 0.2 1
78 182 15 PHE H H 7.881 0.02 1
79 182 15 PHE C C 174.995 0.2 1
80 182 15 PHE CA C 57.739 0.2 1
81 182 15 PHE CB C 39.879 0.2 1
82 182 15 PHE N N 121.774 0.2 1
83 183 16 THR H H 7.699 0.02 1
84 183 16 THR C C 173.189 0.2 1
85 183 16 THR CA C 61.238 0.2 1
86 183 16 THR CB C 69.954 0.2 1
87 183 16 THR N N 116.356 0.2 1
88 184 17 TRP H H 8.068 0.02 1
89 184 17 TRP CA C 55.294 0.2 1
90 184 17 TRP CB C 28.698 0.2 1
91 184 17 TRP N N 124.985 0.2 1
92 185 18 PRO C C 176.561 0.2 1
93 185 18 PRO CA C 63.183 0.2 1
94 185 18 PRO CB C 31.972 0.2 1
95 186 19 LEU H H 8.242 0.02 1
96 186 19 LEU HD1 H 0.896 0.02 2
97 186 19 LEU HD2 H 0.854 0.02 2
98 186 19 LEU C C 177.287 0.2 1
99 186 19 LEU CA C 55.321 0.2 1
100 186 19 LEU CB C 42.215 0.2 1
101 186 19 LEU CD1 C 24.904 0.2 2
102 186 19 LEU CD2 C 23.301 0.2 2
103 186 19 LEU N N 122.011 0.2 1
104 187 20 ILE H H 8.123 0.02 1
105 187 20 ILE HD1 H 0.809 0.02 1
106 187 20 ILE C C 175.792 0.2 1
107 187 20 ILE CA C 60.603 0.2 1
108 187 20 ILE CB C 38.698 0.2 1
109 187 20 ILE CD1 C 12.864 0.2 1
110 187 20 ILE N N 121.829 0.2 1
111 188 21 ALA H H 8.428 0.02 1
112 188 21 ALA HB H 1.357 0.02 1
113 188 21 ALA C C 177.641 0.2 1
114 188 21 ALA CA C 52.395 0.2 1
115 188 21 ALA CB C 19.240 0.2 1
116 188 21 ALA N N 128.514 0.2 1
117 189 22 ALA H H 8.382 0.02 1
118 189 22 ALA HB H 1.339 0.02 1
119 189 22 ALA C C 177.655 0.2 1
120 189 22 ALA CA C 52.803 0.2 1
121 189 22 ALA CB C 19.282 0.2 1
122 189 22 ALA N N 123.808 0.2 1
123 190 23 ASP H H 8.225 0.02 1
124 190 23 ASP C C 176.912 0.2 1
125 190 23 ASP CA C 54.213 0.2 1
126 190 23 ASP CB C 40.959 0.2 1
127 190 23 ASP N N 118.544 0.2 1
128 191 24 GLY H H 8.285 0.02 1
129 191 24 GLY C C 174.732 0.2 1
130 191 24 GLY CA C 45.502 0.2 1
131 191 24 GLY N N 109.277 0.2 1
132 192 25 GLY H H 8.250 0.02 1
133 192 25 GLY C C 173.718 0.2 1
134 192 25 GLY CA C 45.159 0.2 1
135 192 25 GLY N N 108.555 0.2 1
136 193 26 TYR H H 8.021 0.02 1
137 193 26 TYR C C 175.570 0.2 1
138 193 26 TYR CA C 58.119 0.2 1
139 193 26 TYR CB C 38.834 0.2 1
140 193 26 TYR N N 119.993 0.2 1
141 194 27 ALA H H 8.201 0.02 1
142 194 27 ALA HB H 1.335 0.02 1
143 194 27 ALA C C 176.921 0.2 1
144 194 27 ALA CA C 52.371 0.2 1
145 194 27 ALA CB C 18.363 0.2 1
146 194 27 ALA N N 125.214 0.2 1
147 195 28 PHE H H 7.960 0.02 1
148 195 28 PHE C C 175.318 0.2 1
149 195 28 PHE CA C 57.940 0.2 1
150 195 28 PHE CB C 39.538 0.2 1
151 195 28 PHE N N 119.394 0.2 1
152 196 29 LYS H H 7.995 0.02 1
153 196 29 LYS C C 175.607 0.2 1
154 196 29 LYS CA C 56.076 0.2 1
155 196 29 LYS CB C 33.191 0.2 1
156 196 29 LYS N N 122.950 0.2 1
157 197 30 TYR H H 8.184 0.02 1
158 197 30 TYR C C 175.865 0.2 1
159 197 30 TYR CA C 58.101 0.2 1
160 197 30 TYR CB C 38.674 0.2 1
161 197 30 TYR N N 121.821 0.2 1
162 198 31 GLU H H 8.642 0.02 1
163 198 31 GLU C C 176.287 0.2 1
164 198 31 GLU CA C 56.678 0.2 1
165 198 31 GLU CB C 30.122 0.2 1
166 198 31 GLU CG C 36.108 0.2 1
167 198 31 GLU N N 122.717 0.2 1
168 199 32 ASN H H 8.647 0.02 1
169 199 32 ASN C C 175.805 0.2 1
170 199 32 ASN CA C 53.513 0.2 1
171 199 32 ASN CB C 38.713 0.2 1
172 199 32 ASN N N 120.038 0.2 1
173 200 33 GLY H H 8.486 0.02 1
174 200 33 GLY C C 174.021 0.2 1
175 200 33 GLY CA C 45.534 0.2 1
176 200 33 GLY N N 109.171 0.2 1
177 201 34 LYS H H 8.023 0.02 1
178 201 34 LYS C C 176.092 0.2 1
179 201 34 LYS CA C 56.420 0.2 1
180 201 34 LYS CB C 33.060 0.2 1
181 201 34 LYS CG C 24.608 0.2 1
182 201 34 LYS CD C 28.999 0.2 1
183 201 34 LYS CE C 42.089 0.2 1
184 201 34 LYS N N 120.606 0.2 1
185 202 35 TYR H H 8.241 0.02 1
186 202 35 TYR C C 175.218 0.2 1
187 202 35 TYR CA C 57.450 0.2 1
188 202 35 TYR CB C 38.861 0.2 1
189 202 35 TYR N N 120.490 0.2 1
190 203 36 ASP H H 8.325 0.02 1
191 203 36 ASP C C 175.918 0.2 1
192 203 36 ASP CA C 54.005 0.2 1
193 203 36 ASP CB C 41.390 0.2 1
194 203 36 ASP N N 122.723 0.2 1
195 204 37 ILE H H 8.158 0.02 1
196 204 37 ILE HD1 H 0.765 0.02 1
197 204 37 ILE C C 176.322 0.2 1
198 204 37 ILE CA C 61.423 0.2 1
199 204 37 ILE CB C 38.549 0.2 1
200 204 37 ILE CG1 C 27.359 0.2 1
201 204 37 ILE CG2 C 17.646 0.2 1
202 204 37 ILE N N 122.190 0.2 1
203 205 38 LYS H H 8.470 0.02 1
204 205 38 LYS C C 176.256 0.2 1
205 205 38 LYS CA C 56.460 0.2 1
206 205 38 LYS CB C 32.856 0.2 1
207 205 38 LYS CG C 24.593 0.2 1
208 205 38 LYS CD C 28.958 0.2 1
209 205 38 LYS CE C 42.060 0.2 1
210 205 38 LYS N N 125.219 0.2 1
211 206 39 ASP H H 8.343 0.02 1
212 206 39 ASP C C 176.262 0.2 1
213 206 39 ASP CA C 54.390 0.2 1
214 206 39 ASP CB C 41.106 0.2 1
215 206 39 ASP N N 121.746 0.2 1
216 207 40 VAL H H 8.132 0.02 1
217 207 40 VAL HG1 H 0.876 0.02 2
218 207 40 VAL HG2 H 0.856 0.02 2
219 207 40 VAL C C 176.782 0.2 1
220 207 40 VAL CA C 62.492 0.2 1
221 207 40 VAL CB C 32.457 0.2 1
222 207 40 VAL CG1 C 21.555 0.2 2
223 207 40 VAL CG2 C 20.789 0.2 2
224 207 40 VAL N N 120.123 0.2 1
stop_
save_
save_assigned_chemical_shifts_6
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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_2, chain 2'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 168 1 LYS H H 8.239 0.02 1
2 168 1 LYS C C 177.391 0.2 1
3 168 1 LYS CA C 56.711 0.2 1
4 168 1 LYS CB C 32.972 0.2 1
5 168 1 LYS N N 120.269 0.2 1
6 169 2 GLY H H 8.339 0.02 1
7 169 2 GLY C C 174.242 0.2 1
8 169 2 GLY CA C 45.348 0.2 1
9 169 2 GLY N N 109.557 0.2 1
10 170 3 LYS H H 8.245 0.02 1
11 170 3 LYS C C 177.046 0.2 1
12 170 3 LYS CA C 56.594 0.2 1
13 170 3 LYS CB C 32.966 0.2 1
14 170 3 LYS N N 121.004 0.2 1
15 171 4 SER H H 8.367 0.02 1
16 171 4 SER C C 174.536 0.2 1
17 171 4 SER CA C 58.728 0.2 1
18 171 4 SER CB C 63.740 0.2 1
19 171 4 SER N N 116.833 0.2 1
20 172 5 ALA H H 8.342 0.02 1
21 172 5 ALA HB H 1.327 0.02 1
22 172 5 ALA C C 177.796 0.2 1
23 172 5 ALA CA C 52.877 0.2 1
24 172 5 ALA CB C 19.030 0.2 1
25 172 5 ALA N N 125.779 0.2 1
26 173 6 LEU H H 8.029 0.02 1
27 173 6 LEU HD1 H 0.838 0.02 2
28 173 6 LEU HD2 H 0.759 0.02 2
29 173 6 LEU C C 177.354 0.2 1
30 173 6 LEU CA C 55.359 0.2 1
31 173 6 LEU CB C 42.129 0.2 1
32 173 6 LEU CD1 C 25.099 0.2 2
33 173 6 LEU CD2 C 23.768 0.2 2
34 173 6 LEU N N 120.060 0.2 1
35 174 7 MET H H 8.073 0.02 1
36 174 7 MET HE H 1.843 0.02 1
37 174 7 MET C C 175.820 0.2 1
38 174 7 MET CA C 55.368 0.2 1
39 174 7 MET CB C 32.719 0.2 1
40 174 7 MET CE C 17.509 0.2 1
41 174 7 MET N N 119.755 0.2 1
42 175 8 PHE H H 8.080 0.02 1
43 175 8 PHE C C 175.202 0.2 1
44 175 8 PHE CA C 57.886 0.2 1
45 175 8 PHE CB C 39.593 0.2 1
46 175 8 PHE N N 120.431 0.2 1
47 176 9 ASN H H 8.341 0.02 1
48 176 9 ASN C C 174.873 0.2 1
49 176 9 ASN CA C 53.156 0.2 1
50 176 9 ASN CB C 38.767 0.2 1
51 176 9 ASN N N 119.979 0.2 1
52 177 10 LEU H H 8.185 0.02 1
53 177 10 LEU HD1 H 0.885 0.02 2
54 177 10 LEU HD2 H 0.847 0.02 2
55 177 10 LEU C C 177.201 0.2 1
56 177 10 LEU CA C 55.630 0.2 1
57 177 10 LEU CB C 42.147 0.2 1
58 177 10 LEU CD1 C 25.294 0.2 2
59 177 10 LEU CD2 C 23.501 0.2 2
60 177 10 LEU N N 122.241 0.2 1
61 178 11 GLN H H 8.259 0.02 1
62 178 11 GLN C C 175.667 0.2 1
63 178 11 GLN CA C 55.654 0.2 1
64 178 11 GLN CB C 29.347 0.2 1
65 178 11 GLN N N 119.771 0.2 1
66 179 12 GLU H H 8.182 0.02 1
67 179 12 GLU CA C 57.112 0.2 1
68 179 12 GLU CB C 29.669 0.2 1
69 179 12 GLU N N 122.811 0.2 1
70 180 13 PRO C C 176.376 0.2 1
71 180 13 PRO CA C 63.459 0.2 1
72 180 13 PRO CB C 31.863 0.2 1
73 181 14 TYR H H 7.993 0.02 1
74 181 14 TYR C C 175.199 0.2 1
75 181 14 TYR CA C 57.663 0.2 1
76 181 14 TYR CB C 38.630 0.2 1
77 181 14 TYR N N 119.314 0.2 1
78 182 15 PHE H H 7.881 0.02 1
79 182 15 PHE C C 174.995 0.2 1
80 182 15 PHE CA C 57.739 0.2 1
81 182 15 PHE CB C 39.879 0.2 1
82 182 15 PHE N N 121.774 0.2 1
83 183 16 THR H H 7.699 0.02 1
84 183 16 THR C C 173.189 0.2 1
85 183 16 THR CA C 61.238 0.2 1
86 183 16 THR CB C 69.954 0.2 1
87 183 16 THR N N 116.356 0.2 1
88 184 17 TRP H H 8.068 0.02 1
89 184 17 TRP CA C 55.294 0.2 1
90 184 17 TRP CB C 28.698 0.2 1
91 184 17 TRP N N 124.985 0.2 1
92 185 18 PRO C C 176.561 0.2 1
93 185 18 PRO CA C 63.183 0.2 1
94 185 18 PRO CB C 31.972 0.2 1
95 186 19 LEU H H 8.242 0.02 1
96 186 19 LEU HD1 H 0.896 0.02 2
97 186 19 LEU HD2 H 0.854 0.02 2
98 186 19 LEU C C 177.287 0.2 1
99 186 19 LEU CA C 55.321 0.2 1
100 186 19 LEU CB C 42.215 0.2 1
101 186 19 LEU CD1 C 24.904 0.2 2
102 186 19 LEU CD2 C 23.301 0.2 2
103 186 19 LEU N N 122.011 0.2 1
104 187 20 ILE H H 8.123 0.02 1
105 187 20 ILE HD1 H 0.809 0.02 1
106 187 20 ILE C C 175.792 0.2 1
107 187 20 ILE CA C 60.603 0.2 1
108 187 20 ILE CB C 38.698 0.2 1
109 187 20 ILE CD1 C 12.864 0.2 1
110 187 20 ILE N N 121.829 0.2 1
111 188 21 ALA H H 8.428 0.02 1
112 188 21 ALA HB H 1.357 0.02 1
113 188 21 ALA C C 177.641 0.2 1
114 188 21 ALA CA C 52.395 0.2 1
115 188 21 ALA CB C 19.240 0.2 1
116 188 21 ALA N N 128.514 0.2 1
117 189 22 ALA H H 8.382 0.02 1
118 189 22 ALA HB H 1.339 0.02 1
119 189 22 ALA C C 177.655 0.2 1
120 189 22 ALA CA C 52.803 0.2 1
121 189 22 ALA CB C 19.282 0.2 1
122 189 22 ALA N N 123.808 0.2 1
123 190 23 ASP H H 8.225 0.02 1
124 190 23 ASP C C 176.912 0.2 1
125 190 23 ASP CA C 54.213 0.2 1
126 190 23 ASP CB C 40.959 0.2 1
127 190 23 ASP N N 118.544 0.2 1
128 191 24 GLY H H 8.285 0.02 1
129 191 24 GLY C C 174.732 0.2 1
130 191 24 GLY CA C 45.502 0.2 1
131 191 24 GLY N N 109.277 0.2 1
132 192 25 GLY H H 8.250 0.02 1
133 192 25 GLY C C 173.718 0.2 1
134 192 25 GLY CA C 45.159 0.2 1
135 192 25 GLY N N 108.555 0.2 1
136 193 26 TYR H H 8.021 0.02 1
137 193 26 TYR C C 175.570 0.2 1
138 193 26 TYR CA C 58.119 0.2 1
139 193 26 TYR CB C 38.834 0.2 1
140 193 26 TYR N N 119.993 0.2 1
141 194 27 ALA H H 8.201 0.02 1
142 194 27 ALA HB H 1.335 0.02 1
143 194 27 ALA C C 176.921 0.2 1
144 194 27 ALA CA C 52.371 0.2 1
145 194 27 ALA CB C 18.363 0.2 1
146 194 27 ALA N N 125.214 0.2 1
147 195 28 PHE H H 7.960 0.02 1
148 195 28 PHE C C 175.318 0.2 1
149 195 28 PHE CA C 57.940 0.2 1
150 195 28 PHE CB C 39.538 0.2 1
151 195 28 PHE N N 119.394 0.2 1
152 196 29 LYS H H 7.995 0.02 1
153 196 29 LYS C C 175.607 0.2 1
154 196 29 LYS CA C 56.076 0.2 1
155 196 29 LYS CB C 33.191 0.2 1
156 196 29 LYS N N 122.950 0.2 1
157 197 30 TYR H H 8.184 0.02 1
158 197 30 TYR C C 175.865 0.2 1
159 197 30 TYR CA C 58.101 0.2 1
160 197 30 TYR CB C 38.674 0.2 1
161 197 30 TYR N N 121.821 0.2 1
162 198 31 GLU H H 8.642 0.02 1
163 198 31 GLU C C 176.287 0.2 1
164 198 31 GLU CA C 56.678 0.2 1
165 198 31 GLU CB C 30.122 0.2 1
166 198 31 GLU CG C 36.108 0.2 1
167 198 31 GLU N N 122.717 0.2 1
168 199 32 ASN H H 8.647 0.02 1
169 199 32 ASN C C 175.805 0.2 1
170 199 32 ASN CA C 53.513 0.2 1
171 199 32 ASN CB C 38.713 0.2 1
172 199 32 ASN N N 120.038 0.2 1
173 200 33 GLY H H 8.486 0.02 1
174 200 33 GLY C C 174.021 0.2 1
175 200 33 GLY CA C 45.534 0.2 1
176 200 33 GLY N N 109.171 0.2 1
177 201 34 LYS H H 8.023 0.02 1
178 201 34 LYS C C 176.092 0.2 1
179 201 34 LYS CA C 56.420 0.2 1
180 201 34 LYS CB C 33.060 0.2 1
181 201 34 LYS CG C 24.608 0.2 1
182 201 34 LYS CD C 28.999 0.2 1
183 201 34 LYS CE C 42.089 0.2 1
184 201 34 LYS N N 120.606 0.2 1
185 202 35 TYR H H 8.241 0.02 1
186 202 35 TYR C C 175.218 0.2 1
187 202 35 TYR CA C 57.450 0.2 1
188 202 35 TYR CB C 38.861 0.2 1
189 202 35 TYR N N 120.490 0.2 1
190 203 36 ASP H H 8.325 0.02 1
191 203 36 ASP C C 175.918 0.2 1
192 203 36 ASP CA C 54.005 0.2 1
193 203 36 ASP CB C 41.390 0.2 1
194 203 36 ASP N N 122.723 0.2 1
195 204 37 ILE H H 8.158 0.02 1
196 204 37 ILE HD1 H 0.765 0.02 1
197 204 37 ILE C C 176.322 0.2 1
198 204 37 ILE CA C 61.423 0.2 1
199 204 37 ILE CB C 38.549 0.2 1
200 204 37 ILE CG1 C 27.359 0.2 1
201 204 37 ILE CG2 C 17.646 0.2 1
202 204 37 ILE N N 122.190 0.2 1
203 205 38 LYS H H 8.470 0.02 1
204 205 38 LYS C C 176.256 0.2 1
205 205 38 LYS CA C 56.460 0.2 1
206 205 38 LYS CB C 32.856 0.2 1
207 205 38 LYS CG C 24.593 0.2 1
208 205 38 LYS CD C 28.958 0.2 1
209 205 38 LYS CE C 42.060 0.2 1
210 205 38 LYS N N 125.219 0.2 1
211 206 39 ASP H H 8.343 0.02 1
212 206 39 ASP C C 176.262 0.2 1
213 206 39 ASP CA C 54.390 0.2 1
214 206 39 ASP CB C 41.106 0.2 1
215 206 39 ASP N N 121.746 0.2 1
216 207 40 VAL H H 8.132 0.02 1
217 207 40 VAL HG1 H 0.876 0.02 2
218 207 40 VAL HG2 H 0.856 0.02 2
219 207 40 VAL C C 176.782 0.2 1
220 207 40 VAL CA C 62.492 0.2 1
221 207 40 VAL CB C 32.457 0.2 1
222 207 40 VAL CG1 C 21.555 0.2 2
223 207 40 VAL CG2 C 20.789 0.2 2
224 207 40 VAL N N 120.123 0.2 1
stop_
save_
save_assigned_chemical_shifts_7
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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_2, chain 3'
_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
1 168 1 LYS H H 8.239 0.02 1
2 168 1 LYS C C 177.391 0.2 1
3 168 1 LYS CA C 56.711 0.2 1
4 168 1 LYS CB C 32.972 0.2 1
5 168 1 LYS N N 120.269 0.2 1
6 169 2 GLY H H 8.339 0.02 1
7 169 2 GLY C C 174.242 0.2 1
8 169 2 GLY CA C 45.348 0.2 1
9 169 2 GLY N N 109.557 0.2 1
10 170 3 LYS H H 8.245 0.02 1
11 170 3 LYS C C 177.046 0.2 1
12 170 3 LYS CA C 56.594 0.2 1
13 170 3 LYS CB C 32.966 0.2 1
14 170 3 LYS N N 121.004 0.2 1
15 171 4 SER H H 8.367 0.02 1
16 171 4 SER C C 174.536 0.2 1
17 171 4 SER CA C 58.728 0.2 1
18 171 4 SER CB C 63.740 0.2 1
19 171 4 SER N N 116.833 0.2 1
20 172 5 ALA H H 8.342 0.02 1
21 172 5 ALA HB H 1.327 0.02 1
22 172 5 ALA C C 177.796 0.2 1
23 172 5 ALA CA C 52.877 0.2 1
24 172 5 ALA CB C 19.030 0.2 1
25 172 5 ALA N N 125.779 0.2 1
26 173 6 LEU H H 8.029 0.02 1
27 173 6 LEU HD1 H 0.838 0.02 2
28 173 6 LEU HD2 H 0.759 0.02 2
29 173 6 LEU C C 177.354 0.2 1
30 173 6 LEU CA C 55.359 0.2 1
31 173 6 LEU CB C 42.129 0.2 1
32 173 6 LEU CD1 C 25.099 0.2 2
33 173 6 LEU CD2 C 23.768 0.2 2
34 173 6 LEU N N 120.060 0.2 1
35 174 7 MET H H 8.073 0.02 1
36 174 7 MET HE H 1.843 0.02 1
37 174 7 MET C C 175.820 0.2 1
38 174 7 MET CA C 55.368 0.2 1
39 174 7 MET CB C 32.719 0.2 1
40 174 7 MET CE C 17.509 0.2 1
41 174 7 MET N N 119.755 0.2 1
42 175 8 PHE H H 8.080 0.02 1
43 175 8 PHE C C 175.202 0.2 1
44 175 8 PHE CA C 57.886 0.2 1
45 175 8 PHE CB C 39.593 0.2 1
46 175 8 PHE N N 120.431 0.2 1
47 176 9 ASN H H 8.341 0.02 1
48 176 9 ASN C C 174.873 0.2 1
49 176 9 ASN CA C 53.156 0.2 1
50 176 9 ASN CB C 38.767 0.2 1
51 176 9 ASN N N 119.979 0.2 1
52 177 10 LEU H H 8.185 0.02 1
53 177 10 LEU HD1 H 0.885 0.02 2
54 177 10 LEU HD2 H 0.847 0.02 2
55 177 10 LEU C C 177.201 0.2 1
56 177 10 LEU CA C 55.630 0.2 1
57 177 10 LEU CB C 42.147 0.2 1
58 177 10 LEU CD1 C 25.294 0.2 2
59 177 10 LEU CD2 C 23.501 0.2 2
60 177 10 LEU N N 122.241 0.2 1
61 178 11 GLN H H 8.259 0.02 1
62 178 11 GLN C C 175.667 0.2 1
63 178 11 GLN CA C 55.654 0.2 1
64 178 11 GLN CB C 29.347 0.2 1
65 178 11 GLN N N 119.771 0.2 1
66 179 12 GLU H H 8.182 0.02 1
67 179 12 GLU CA C 57.112 0.2 1
68 179 12 GLU CB C 29.669 0.2 1
69 179 12 GLU N N 122.811 0.2 1
70 180 13 PRO C C 176.376 0.2 1
71 180 13 PRO CA C 63.459 0.2 1
72 180 13 PRO CB C 31.863 0.2 1
73 181 14 TYR H H 7.993 0.02 1
74 181 14 TYR C C 175.199 0.2 1
75 181 14 TYR CA C 57.663 0.2 1
76 181 14 TYR CB C 38.630 0.2 1
77 181 14 TYR N N 119.314 0.2 1
78 182 15 PHE H H 7.881 0.02 1
79 182 15 PHE C C 174.995 0.2 1
80 182 15 PHE CA C 57.739 0.2 1
81 182 15 PHE CB C 39.879 0.2 1
82 182 15 PHE N N 121.774 0.2 1
83 183 16 THR H H 7.699 0.02 1
84 183 16 THR C C 173.189 0.2 1
85 183 16 THR CA C 61.238 0.2 1
86 183 16 THR CB C 69.954 0.2 1
87 183 16 THR N N 116.356 0.2 1
88 184 17 TRP H H 8.068 0.02 1
89 184 17 TRP CA C 55.294 0.2 1
90 184 17 TRP CB C 28.698 0.2 1
91 184 17 TRP N N 124.985 0.2 1
92 185 18 PRO C C 176.561 0.2 1
93 185 18 PRO CA C 63.183 0.2 1
94 185 18 PRO CB C 31.972 0.2 1
95 186 19 LEU H H 8.242 0.02 1
96 186 19 LEU HD1 H 0.896 0.02 2
97 186 19 LEU HD2 H 0.854 0.02 2
98 186 19 LEU C C 177.287 0.2 1
99 186 19 LEU CA C 55.321 0.2 1
100 186 19 LEU CB C 42.215 0.2 1
101 186 19 LEU CD1 C 24.904 0.2 2
102 186 19 LEU CD2 C 23.301 0.2 2
103 186 19 LEU N N 122.011 0.2 1
104 187 20 ILE H H 8.123 0.02 1
105 187 20 ILE HD1 H 0.809 0.02 1
106 187 20 ILE C C 175.792 0.2 1
107 187 20 ILE CA C 60.603 0.2 1
108 187 20 ILE CB C 38.698 0.2 1
109 187 20 ILE CD1 C 12.864 0.2 1
110 187 20 ILE N N 121.829 0.2 1
111 188 21 ALA H H 8.428 0.02 1
112 188 21 ALA HB H 1.357 0.02 1
113 188 21 ALA C C 177.641 0.2 1
114 188 21 ALA CA C 52.395 0.2 1
115 188 21 ALA CB C 19.240 0.2 1
116 188 21 ALA N N 128.514 0.2 1
117 189 22 ALA H H 8.382 0.02 1
118 189 22 ALA HB H 1.339 0.02 1
119 189 22 ALA C C 177.655 0.2 1
120 189 22 ALA CA C 52.803 0.2 1
121 189 22 ALA CB C 19.282 0.2 1
122 189 22 ALA N N 123.808 0.2 1
123 190 23 ASP H H 8.225 0.02 1
124 190 23 ASP C C 176.912 0.2 1
125 190 23 ASP CA C 54.213 0.2 1
126 190 23 ASP CB C 40.959 0.2 1
127 190 23 ASP N N 118.544 0.2 1
128 191 24 GLY H H 8.285 0.02 1
129 191 24 GLY C C 174.732 0.2 1
130 191 24 GLY CA C 45.502 0.2 1
131 191 24 GLY N N 109.277 0.2 1
132 192 25 GLY H H 8.250 0.02 1
133 192 25 GLY C C 173.718 0.2 1
134 192 25 GLY CA C 45.159 0.2 1
135 192 25 GLY N N 108.555 0.2 1
136 193 26 TYR H H 8.021 0.02 1
137 193 26 TYR C C 175.570 0.2 1
138 193 26 TYR CA C 58.119 0.2 1
139 193 26 TYR CB C 38.834 0.2 1
140 193 26 TYR N N 119.993 0.2 1
141 194 27 ALA H H 8.201 0.02 1
142 194 27 ALA HB H 1.335 0.02 1
143 194 27 ALA C C 176.921 0.2 1
144 194 27 ALA CA C 52.371 0.2 1
145 194 27 ALA CB C 18.363 0.2 1
146 194 27 ALA N N 125.214 0.2 1
147 195 28 PHE H H 7.960 0.02 1
148 195 28 PHE C C 175.318 0.2 1
149 195 28 PHE CA C 57.940 0.2 1
150 195 28 PHE CB C 39.538 0.2 1
151 195 28 PHE N N 119.394 0.2 1
152 196 29 LYS H H 7.995 0.02 1
153 196 29 LYS C C 175.607 0.2 1
154 196 29 LYS CA C 56.076 0.2 1
155 196 29 LYS CB C 33.191 0.2 1
156 196 29 LYS N N 122.950 0.2 1
157 197 30 TYR H H 8.184 0.02 1
158 197 30 TYR C C 175.865 0.2 1
159 197 30 TYR CA C 58.101 0.2 1
160 197 30 TYR CB C 38.674 0.2 1
161 197 30 TYR N N 121.821 0.2 1
162 198 31 GLU H H 8.642 0.02 1
163 198 31 GLU C C 176.287 0.2 1
164 198 31 GLU CA C 56.678 0.2 1
165 198 31 GLU CB C 30.122 0.2 1
166 198 31 GLU CG C 36.108 0.2 1
167 198 31 GLU N N 122.717 0.2 1
168 199 32 ASN H H 8.647 0.02 1
169 199 32 ASN C C 175.805 0.2 1
170 199 32 ASN CA C 53.513 0.2 1
171 199 32 ASN CB C 38.713 0.2 1
172 199 32 ASN N N 120.038 0.2 1
173 200 33 GLY H H 8.486 0.02 1
174 200 33 GLY C C 174.021 0.2 1
175 200 33 GLY CA C 45.534 0.2 1
176 200 33 GLY N N 109.171 0.2 1
177 201 34 LYS H H 8.023 0.02 1
178 201 34 LYS C C 176.092 0.2 1
179 201 34 LYS CA C 56.420 0.2 1
180 201 34 LYS CB C 33.060 0.2 1
181 201 34 LYS CG C 24.608 0.2 1
182 201 34 LYS CD C 28.999 0.2 1
183 201 34 LYS CE C 42.089 0.2 1
184 201 34 LYS N N 120.606 0.2 1
185 202 35 TYR H H 8.241 0.02 1
186 202 35 TYR C C 175.218 0.2 1
187 202 35 TYR CA C 57.450 0.2 1
188 202 35 TYR CB C 38.861 0.2 1
189 202 35 TYR N N 120.490 0.2 1
190 203 36 ASP H H 8.325 0.02 1
191 203 36 ASP C C 175.918 0.2 1
192 203 36 ASP CA C 54.005 0.2 1
193 203 36 ASP CB C 41.390 0.2 1
194 203 36 ASP N N 122.723 0.2 1
195 204 37 ILE H H 8.158 0.02 1
196 204 37 ILE HD1 H 0.765 0.02 1
197 204 37 ILE C C 176.322 0.2 1
198 204 37 ILE CA C 61.423 0.2 1
199 204 37 ILE CB C 38.549 0.2 1
200 204 37 ILE CG1 C 27.359 0.2 1
201 204 37 ILE CG2 C 17.646 0.2 1
202 204 37 ILE N N 122.190 0.2 1
203 205 38 LYS H H 8.470 0.02 1
204 205 38 LYS C C 176.256 0.2 1
205 205 38 LYS CA C 56.460 0.2 1
206 205 38 LYS CB C 32.856 0.2 1
207 205 38 LYS CG C 24.593 0.2 1
208 205 38 LYS CD C 28.958 0.2 1
209 205 38 LYS CE C 42.060 0.2 1
210 205 38 LYS N N 125.219 0.2 1
211 206 39 ASP H H 8.343 0.02 1
212 206 39 ASP C C 176.262 0.2 1
213 206 39 ASP CA C 54.390 0.2 1
214 206 39 ASP CB C 41.106 0.2 1
215 206 39 ASP N N 121.746 0.2 1
216 207 40 VAL H H 8.132 0.02 1
217 207 40 VAL HG1 H 0.876 0.02 2
218 207 40 VAL HG2 H 0.856 0.02 2
219 207 40 VAL C C 176.782 0.2 1
220 207 40 VAL CA C 62.492 0.2 1
221 207 40 VAL CB C 32.457 0.2 1
222 207 40 VAL CG1 C 21.555 0.2 2
223 207 40 VAL CG2 C 20.789 0.2 2
224 207 40 VAL N N 120.123 0.2 1
stop_
save_
save_assigned_chemical_shifts_8
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_4
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC aliphatic'
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_2, chain 4'
_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
1 168 1 LYS H H 8.239 0.02 1
2 168 1 LYS C C 177.391 0.2 1
3 168 1 LYS CA C 56.711 0.2 1
4 168 1 LYS CB C 32.972 0.2 1
5 168 1 LYS N N 120.269 0.2 1
6 169 2 GLY H H 8.339 0.02 1
7 169 2 GLY C C 174.242 0.2 1
8 169 2 GLY CA C 45.348 0.2 1
9 169 2 GLY N N 109.557 0.2 1
10 170 3 LYS H H 8.245 0.02 1
11 170 3 LYS C C 177.046 0.2 1
12 170 3 LYS CA C 56.594 0.2 1
13 170 3 LYS CB C 32.966 0.2 1
14 170 3 LYS N N 121.004 0.2 1
15 171 4 SER H H 8.367 0.02 1
16 171 4 SER C C 174.536 0.2 1
17 171 4 SER CA C 58.728 0.2 1
18 171 4 SER CB C 63.740 0.2 1
19 171 4 SER N N 116.833 0.2 1
20 172 5 ALA H H 8.342 0.02 1
21 172 5 ALA HB H 1.327 0.02 1
22 172 5 ALA C C 177.796 0.2 1
23 172 5 ALA CA C 52.877 0.2 1
24 172 5 ALA CB C 19.030 0.2 1
25 172 5 ALA N N 125.779 0.2 1
26 173 6 LEU H H 8.029 0.02 1
27 173 6 LEU HD1 H 0.838 0.02 2
28 173 6 LEU HD2 H 0.759 0.02 2
29 173 6 LEU C C 177.354 0.2 1
30 173 6 LEU CA C 55.359 0.2 1
31 173 6 LEU CB C 42.129 0.2 1
32 173 6 LEU CD1 C 25.099 0.2 2
33 173 6 LEU CD2 C 23.768 0.2 2
34 173 6 LEU N N 120.060 0.2 1
35 174 7 MET H H 8.073 0.02 1
36 174 7 MET HE H 1.843 0.02 1
37 174 7 MET C C 175.820 0.2 1
38 174 7 MET CA C 55.368 0.2 1
39 174 7 MET CB C 32.719 0.2 1
40 174 7 MET CE C 17.509 0.2 1
41 174 7 MET N N 119.755 0.2 1
42 175 8 PHE H H 8.080 0.02 1
43 175 8 PHE C C 175.202 0.2 1
44 175 8 PHE CA C 57.886 0.2 1
45 175 8 PHE CB C 39.593 0.2 1
46 175 8 PHE N N 120.431 0.2 1
47 176 9 ASN H H 8.341 0.02 1
48 176 9 ASN C C 174.873 0.2 1
49 176 9 ASN CA C 53.156 0.2 1
50 176 9 ASN CB C 38.767 0.2 1
51 176 9 ASN N N 119.979 0.2 1
52 177 10 LEU H H 8.185 0.02 1
53 177 10 LEU HD1 H 0.885 0.02 2
54 177 10 LEU HD2 H 0.847 0.02 2
55 177 10 LEU C C 177.201 0.2 1
56 177 10 LEU CA C 55.630 0.2 1
57 177 10 LEU CB C 42.147 0.2 1
58 177 10 LEU CD1 C 25.294 0.2 2
59 177 10 LEU CD2 C 23.501 0.2 2
60 177 10 LEU N N 122.241 0.2 1
61 178 11 GLN H H 8.259 0.02 1
62 178 11 GLN C C 175.667 0.2 1
63 178 11 GLN CA C 55.654 0.2 1
64 178 11 GLN CB C 29.347 0.2 1
65 178 11 GLN N N 119.771 0.2 1
66 179 12 GLU H H 8.182 0.02 1
67 179 12 GLU CA C 57.112 0.2 1
68 179 12 GLU CB C 29.669 0.2 1
69 179 12 GLU N N 122.811 0.2 1
70 180 13 PRO C C 176.376 0.2 1
71 180 13 PRO CA C 63.459 0.2 1
72 180 13 PRO CB C 31.863 0.2 1
73 181 14 TYR H H 7.993 0.02 1
74 181 14 TYR C C 175.199 0.2 1
75 181 14 TYR CA C 57.663 0.2 1
76 181 14 TYR CB C 38.630 0.2 1
77 181 14 TYR N N 119.314 0.2 1
78 182 15 PHE H H 7.881 0.02 1
79 182 15 PHE C C 174.995 0.2 1
80 182 15 PHE CA C 57.739 0.2 1
81 182 15 PHE CB C 39.879 0.2 1
82 182 15 PHE N N 121.774 0.2 1
83 183 16 THR H H 7.699 0.02 1
84 183 16 THR C C 173.189 0.2 1
85 183 16 THR CA C 61.238 0.2 1
86 183 16 THR CB C 69.954 0.2 1
87 183 16 THR N N 116.356 0.2 1
88 184 17 TRP H H 8.068 0.02 1
89 184 17 TRP CA C 55.294 0.2 1
90 184 17 TRP CB C 28.698 0.2 1
91 184 17 TRP N N 124.985 0.2 1
92 185 18 PRO C C 176.561 0.2 1
93 185 18 PRO CA C 63.183 0.2 1
94 185 18 PRO CB C 31.972 0.2 1
95 186 19 LEU H H 8.242 0.02 1
96 186 19 LEU HD1 H 0.896 0.02 2
97 186 19 LEU HD2 H 0.854 0.02 2
98 186 19 LEU C C 177.287 0.2 1
99 186 19 LEU CA C 55.321 0.2 1
100 186 19 LEU CB C 42.215 0.2 1
101 186 19 LEU CD1 C 24.904 0.2 2
102 186 19 LEU CD2 C 23.301 0.2 2
103 186 19 LEU N N 122.011 0.2 1
104 187 20 ILE H H 8.123 0.02 1
105 187 20 ILE HD1 H 0.809 0.02 1
106 187 20 ILE C C 175.792 0.2 1
107 187 20 ILE CA C 60.603 0.2 1
108 187 20 ILE CB C 38.698 0.2 1
109 187 20 ILE CD1 C 12.864 0.2 1
110 187 20 ILE N N 121.829 0.2 1
111 188 21 ALA H H 8.428 0.02 1
112 188 21 ALA HB H 1.357 0.02 1
113 188 21 ALA C C 177.641 0.2 1
114 188 21 ALA CA C 52.395 0.2 1
115 188 21 ALA CB C 19.240 0.2 1
116 188 21 ALA N N 128.514 0.2 1
117 189 22 ALA H H 8.382 0.02 1
118 189 22 ALA HB H 1.339 0.02 1
119 189 22 ALA C C 177.655 0.2 1
120 189 22 ALA CA C 52.803 0.2 1
121 189 22 ALA CB C 19.282 0.2 1
122 189 22 ALA N N 123.808 0.2 1
123 190 23 ASP H H 8.225 0.02 1
124 190 23 ASP C C 176.912 0.2 1
125 190 23 ASP CA C 54.213 0.2 1
126 190 23 ASP CB C 40.959 0.2 1
127 190 23 ASP N N 118.544 0.2 1
128 191 24 GLY H H 8.285 0.02 1
129 191 24 GLY C C 174.732 0.2 1
130 191 24 GLY CA C 45.502 0.2 1
131 191 24 GLY N N 109.277 0.2 1
132 192 25 GLY H H 8.250 0.02 1
133 192 25 GLY C C 173.718 0.2 1
134 192 25 GLY CA C 45.159 0.2 1
135 192 25 GLY N N 108.555 0.2 1
136 193 26 TYR H H 8.021 0.02 1
137 193 26 TYR C C 175.570 0.2 1
138 193 26 TYR CA C 58.119 0.2 1
139 193 26 TYR CB C 38.834 0.2 1
140 193 26 TYR N N 119.993 0.2 1
141 194 27 ALA H H 8.201 0.02 1
142 194 27 ALA HB H 1.335 0.02 1
143 194 27 ALA C C 176.921 0.2 1
144 194 27 ALA CA C 52.371 0.2 1
145 194 27 ALA CB C 18.363 0.2 1
146 194 27 ALA N N 125.214 0.2 1
147 195 28 PHE H H 7.960 0.02 1
148 195 28 PHE C C 175.318 0.2 1
149 195 28 PHE CA C 57.940 0.2 1
150 195 28 PHE CB C 39.538 0.2 1
151 195 28 PHE N N 119.394 0.2 1
152 196 29 LYS H H 7.995 0.02 1
153 196 29 LYS C C 175.607 0.2 1
154 196 29 LYS CA C 56.076 0.2 1
155 196 29 LYS CB C 33.191 0.2 1
156 196 29 LYS N N 122.950 0.2 1
157 197 30 TYR H H 8.184 0.02 1
158 197 30 TYR C C 175.865 0.2 1
159 197 30 TYR CA C 58.101 0.2 1
160 197 30 TYR CB C 38.674 0.2 1
161 197 30 TYR N N 121.821 0.2 1
162 198 31 GLU H H 8.642 0.02 1
163 198 31 GLU C C 176.287 0.2 1
164 198 31 GLU CA C 56.678 0.2 1
165 198 31 GLU CB C 30.122 0.2 1
166 198 31 GLU CG C 36.108 0.2 1
167 198 31 GLU N N 122.717 0.2 1
168 199 32 ASN H H 8.647 0.02 1
169 199 32 ASN C C 175.805 0.2 1
170 199 32 ASN CA C 53.513 0.2 1
171 199 32 ASN CB C 38.713 0.2 1
172 199 32 ASN N N 120.038 0.2 1
173 200 33 GLY H H 8.486 0.02 1
174 200 33 GLY C C 174.021 0.2 1
175 200 33 GLY CA C 45.534 0.2 1
176 200 33 GLY N N 109.171 0.2 1
177 201 34 LYS H H 8.023 0.02 1
178 201 34 LYS C C 176.092 0.2 1
179 201 34 LYS CA C 56.420 0.2 1
180 201 34 LYS CB C 33.060 0.2 1
181 201 34 LYS CG C 24.608 0.2 1
182 201 34 LYS CD C 28.999 0.2 1
183 201 34 LYS CE C 42.089 0.2 1
184 201 34 LYS N N 120.606 0.2 1
185 202 35 TYR H H 8.241 0.02 1
186 202 35 TYR C C 175.218 0.2 1
187 202 35 TYR CA C 57.450 0.2 1
188 202 35 TYR CB C 38.861 0.2 1
189 202 35 TYR N N 120.490 0.2 1
190 203 36 ASP H H 8.325 0.02 1
191 203 36 ASP C C 175.918 0.2 1
192 203 36 ASP CA C 54.005 0.2 1
193 203 36 ASP CB C 41.390 0.2 1
194 203 36 ASP N N 122.723 0.2 1
195 204 37 ILE H H 8.158 0.02 1
196 204 37 ILE HD1 H 0.765 0.02 1
197 204 37 ILE C C 176.322 0.2 1
198 204 37 ILE CA C 61.423 0.2 1
199 204 37 ILE CB C 38.549 0.2 1
200 204 37 ILE CG1 C 27.359 0.2 1
201 204 37 ILE CG2 C 17.646 0.2 1
202 204 37 ILE N N 122.190 0.2 1
203 205 38 LYS H H 8.470 0.02 1
204 205 38 LYS C C 176.256 0.2 1
205 205 38 LYS CA C 56.460 0.2 1
206 205 38 LYS CB C 32.856 0.2 1
207 205 38 LYS CG C 24.593 0.2 1
208 205 38 LYS CD C 28.958 0.2 1
209 205 38 LYS CE C 42.060 0.2 1
210 205 38 LYS N N 125.219 0.2 1
211 206 39 ASP H H 8.343 0.02 1
212 206 39 ASP C C 176.262 0.2 1
213 206 39 ASP CA C 54.390 0.2 1
214 206 39 ASP CB C 41.106 0.2 1
215 206 39 ASP N N 121.746 0.2 1
216 207 40 VAL H H 8.132 0.02 1
217 207 40 VAL HG1 H 0.876 0.02 2
218 207 40 VAL HG2 H 0.856 0.02 2
219 207 40 VAL C C 176.782 0.2 1
220 207 40 VAL CA C 62.492 0.2 1
221 207 40 VAL CB C 32.457 0.2 1
222 207 40 VAL CG1 C 21.555 0.2 2
223 207 40 VAL CG2 C 20.789 0.2 2
224 207 40 VAL N N 120.123 0.2 1
stop_
save_