data_16321
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C and 15N resonance assignments for the E2 conjugating enzyme, UbcH8
;
_BMRB_accession_number 16321
_BMRB_flat_file_name bmr16321.str
_Entry_type original
_Submission_date 2009-05-28
_Accession_date 2009-05-28
_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 Serniwka Stephanie A. .
2 Shaw Gary S. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 362
"13C chemical shifts" 460
"15N chemical shifts" 140
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-04-19 update author 'Update citations'
2009-10-14 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_Citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The structure of the UbcH8-ubiquitin complex shows a unique ubiquitin interaction site'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19928833
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Serniwka Stephanie A. .
2 Shaw Gary S. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 48
_Journal_issue 51
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 12169
_Page_last 12179
_Year 2009
_Details .
save_
#######################################
# Cited references within the entry #
#######################################
save_Citation_2
_Saveframe_category citation
_Citation_full .
_Citation_title '1H, 13C and 15N resonance assignments for the human E2 conjugating enzyme, UbcH7'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636915
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Serniwka Stephanie A. .
2 Shaw Gary S. .
stop_
_Journal_abbreviation 'Biomol. NMR Assign.'
_Journal_name_full 'Biomolecular NMR assignments'
_Journal_volume 2
_Journal_issue 1
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 21
_Page_last 23
_Year 2008
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name UbcH8
_Enzyme_commission_number 6.3.2.19
loop_
_Mol_system_component_name
_Mol_label
UbcH8 $UbcH8
stop_
_System_molecular_weight 17638
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
loop_
_Biological_function
'E2 ubiquitin conjugating enzyme'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_UbcH8
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common UbcH8
_Molecular_mass 17638
_Mol_thiol_state 'all free'
loop_
_Biological_function
'E2 ubiquitin conjugating enzyme'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 152
_Mol_residue_sequence
;
MASMRVVKELEDLQKKPPPY
LRNLSSDDANVLVWHALLLP
DQPPYHLKAFNLRISFPPEY
PFKPPMIKFTTKIYHPNVDE
NGQICLPIISSENWKPSTKT
SQVLEALNVLVNRPNIREPL
RMDLADLLTQNPELFRKNAE
EFTLRFGVDRPS
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 SER 4 MET 5 ARG
6 VAL 7 VAL 8 LYS 9 GLU 10 LEU
11 GLU 12 ASP 13 LEU 14 GLN 15 LYS
16 LYS 17 PRO 18 PRO 19 PRO 20 TYR
21 LEU 22 ARG 23 ASN 24 LEU 25 SER
26 SER 27 ASP 28 ASP 29 ALA 30 ASN
31 VAL 32 LEU 33 VAL 34 TRP 35 HIS
36 ALA 37 LEU 38 LEU 39 LEU 40 PRO
41 ASP 42 GLN 43 PRO 44 PRO 45 TYR
46 HIS 47 LEU 48 LYS 49 ALA 50 PHE
51 ASN 52 LEU 53 ARG 54 ILE 55 SER
56 PHE 57 PRO 58 PRO 59 GLU 60 TYR
61 PRO 62 PHE 63 LYS 64 PRO 65 PRO
66 MET 67 ILE 68 LYS 69 PHE 70 THR
71 THR 72 LYS 73 ILE 74 TYR 75 HIS
76 PRO 77 ASN 78 VAL 79 ASP 80 GLU
81 ASN 82 GLY 83 GLN 84 ILE 85 CYS
86 LEU 87 PRO 88 ILE 89 ILE 90 SER
91 SER 92 GLU 93 ASN 94 TRP 95 LYS
96 PRO 97 SER 98 THR 99 LYS 100 THR
101 SER 102 GLN 103 VAL 104 LEU 105 GLU
106 ALA 107 LEU 108 ASN 109 VAL 110 LEU
111 VAL 112 ASN 113 ARG 114 PRO 115 ASN
116 ILE 117 ARG 118 GLU 119 PRO 120 LEU
121 ARG 122 MET 123 ASP 124 LEU 125 ALA
126 ASP 127 LEU 128 LEU 129 THR 130 GLN
131 ASN 132 PRO 133 GLU 134 LEU 135 PHE
136 ARG 137 LYS 138 ASN 139 ALA 140 GLU
141 GLU 142 PHE 143 THR 144 LEU 145 ARG
146 PHE 147 GLY 148 VAL 149 ASP 150 ARG
151 PRO 152 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-10-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1WZV "Crystal Structure Of Ubch8" 100.00 155 98.68 98.68 1.40e-103
PDB 1WZW "Crystal Structure Of Ubch8" 100.00 155 98.68 98.68 1.40e-103
PDB 2KJH "Nmr Based Structural Model Of The Ubch8-Ubiquitin Complex" 100.00 152 98.68 98.68 1.34e-103
DBJ BAG38109 "unnamed protein product [Homo sapiens]" 100.00 153 98.68 98.68 1.30e-103
EMBL CAB64566 "ubiquitin-conjugating enzyme [Homo sapiens]" 100.00 152 98.68 98.68 1.34e-103
EMBL CAG33407 "UBE2L6 [Homo sapiens]" 100.00 153 98.68 98.68 1.30e-103
GB AAB86433 "ubiquitin conjugating enzyme [Homo sapiens]" 100.00 152 98.68 98.68 1.34e-103
GB AAD17525 "ubiquitin-conjugating enzyme RIG-B [Homo sapiens]" 100.00 153 98.68 98.68 1.30e-103
GB AAH32491 "Ubiquitin-conjugating enzyme E2L 6 [Homo sapiens]" 100.00 153 98.68 98.68 1.30e-103
GB ABM82217 "ubiquitin-conjugating enzyme E2L 6 [synthetic construct]" 100.00 153 98.68 98.68 1.30e-103
GB ABM85401 "ubiquitin-conjugating enzyme E2L 6 [synthetic construct]" 100.00 153 98.68 98.68 1.30e-103
REF NP_004214 "ubiquitin/ISG15-conjugating enzyme E2 L6 isoform 1 [Homo sapiens]" 100.00 153 98.68 98.68 1.30e-103
REF NP_937826 "ubiquitin/ISG15-conjugating enzyme E2 L6 isoform 2 [Homo sapiens]" 57.24 87 97.70 97.70 1.63e-53
REF XP_003318029 "PREDICTED: ubiquitin/ISG15-conjugating enzyme E2 L6 isoform X2 [Pan troglodytes]" 57.24 87 97.70 97.70 1.63e-53
REF XP_003826475 "PREDICTED: ubiquitin/ISG15-conjugating enzyme E2 L6 isoform X1 [Pan paniscus]" 100.00 153 98.68 98.68 1.30e-103
REF XP_004051215 "PREDICTED: ubiquitin/ISG15-conjugating enzyme E2 L6 isoform 1 [Gorilla gorilla gorilla]" 100.00 153 97.37 98.03 3.67e-102
SP O14933 "RecName: Full=Ubiquitin/ISG15-conjugating enzyme E2 L6; AltName: Full=E2 ubiquitin-conjugating enzyme L6; AltName: Full=Retinoi" 100.00 153 98.68 98.68 1.30e-103
stop_
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
$UbcH8 Human 9606 Eukaryota Metazoa Homo sapiens UBE2L6
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
$UbcH8 'recombinant technology' . Escherichia coli BL21(DE3) p11
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_UbcH8
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$UbcH8 0.5 mM '[U-100% 13C; U-100% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
EDTA 1 mM 'natural abundance'
DTT 1 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
Arginine 50 mM 'natural abundance'
'Glutamic Acid' 50 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRView
_Saveframe_category software
_Name NMRView
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_NMRPipe
_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_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version 2.1B
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_UbcH8
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_UbcH8
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_UbcH8
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_UbcH8
save_
save_3D_C(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_UbcH8
save_
save_3D_H(CCO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_UbcH8
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_for_UbcH8
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 150 . mM
pH 7.4 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_Chemical_Shift_Reference_for_UbcH8
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_Assigned_Chemical_Shifts_for_UbcH8
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$NMRView
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D HNCO'
'3D C(CO)NH'
'3D H(CCO)NH'
stop_
loop_
_Sample_label
$sample_UbcH8
stop_
_Sample_conditions_label $sample_conditions_for_UbcH8
_Chem_shift_reference_set_label $Chemical_Shift_Reference_for_UbcH8
_Mol_system_component_name UbcH8
_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 HA H 4.419 . 1
2 1 1 MET HB2 H 2.608 . 2
3 1 1 MET C C 177.128 . 1
4 1 1 MET CA C 56.828 . 1
5 1 1 MET CB C 32.757 . 1
6 2 2 ALA H H 8.730 . 1
7 2 2 ALA HB H 1.607 . 1
8 2 2 ALA C C 178.821 . 1
9 2 2 ALA CA C 54.930 . 1
10 2 2 ALA CB C 19.897 . 1
11 2 2 ALA N N 125.200 . 1
12 3 3 SER H H 8.246 . 1
13 3 3 SER HB2 H 4.017 . 2
14 3 3 SER C C 176.498 . 1
15 3 3 SER CA C 61.192 . 1
16 3 3 SER CB C 62.575 . 1
17 3 3 SER N N 111.876 . 1
18 4 4 MET H H 8.835 . 1
19 4 4 MET CA C 58.720 . 1
20 4 4 MET CB C 29.478 . 1
21 4 4 MET N N 118.609 . 1
22 5 5 ARG HA H 4.221 . 1
23 5 5 ARG HD2 H 2.921 . 2
24 5 5 ARG C C 177.998 . 1
25 5 5 ARG CA C 58.854 . 1
26 5 5 ARG CB C 31.927 . 1
27 6 6 VAL H H 8.175 . 1
28 6 6 VAL HA H 3.350 . 1
29 6 6 VAL HB H 1.886 . 1
30 6 6 VAL HG1 H 1.101 . 4
31 6 6 VAL C C 177.686 . 1
32 6 6 VAL CA C 67.276 . 1
33 6 6 VAL CG1 C 22.243 . 2
34 6 6 VAL N N 118.972 . 1
35 7 7 VAL H H 8.011 . 1
36 7 7 VAL HA H 3.695 . 1
37 7 7 VAL HG1 H 1.039 . 4
38 7 7 VAL C C 178.005 . 1
39 7 7 VAL CA C 66.775 . 1
40 7 7 VAL CB C 31.938 . 1
41 7 7 VAL CG1 C 23.227 . 2
42 7 7 VAL CG2 C 21.182 . 2
43 7 7 VAL N N 118.082 . 1
44 8 8 LYS H H 7.348 . 1
45 8 8 LYS HA H 4.196 . 1
46 8 8 LYS C C 178.842 . 1
47 8 8 LYS CA C 58.710 . 1
48 8 8 LYS CB C 32.080 . 1
49 8 8 LYS N N 120.115 . 1
50 9 9 GLU H H 8.424 . 1
51 9 9 GLU HA H 4.183 . 1
52 9 9 GLU C C 179.794 . 1
53 9 9 GLU CA C 60.521 . 1
54 9 9 GLU CB C 30.790 . 1
55 9 9 GLU N N 118.525 . 1
56 10 10 LEU H H 8.542 . 1
57 10 10 LEU HA H 3.931 . 1
58 10 10 LEU HB2 H 1.297 . 2
59 10 10 LEU C C 177.922 . 1
60 10 10 LEU CA C 57.776 . 1
61 10 10 LEU CB C 40.075 . 1
62 10 10 LEU N N 121.165 . 1
63 11 11 GLU H H 8.105 . 1
64 11 11 GLU HB2 H 2.157 . 2
65 11 11 GLU HB3 H 2.506 . 2
66 11 11 GLU C C 179.568 . 1
67 11 11 GLU CA C 59.540 . 1
68 11 11 GLU CB C 29.693 . 1
69 11 11 GLU N N 118.478 . 1
70 12 12 ASP H H 8.097 . 1
71 12 12 ASP HB2 H 2.775 . 2
72 12 12 ASP C C 179.292 . 1
73 12 12 ASP CA C 57.582 . 1
74 12 12 ASP CB C 40.676 . 1
75 12 12 ASP N N 118.478 . 1
76 13 13 LEU H H 7.663 . 1
77 13 13 LEU HB2 H 1.767 . 2
78 13 13 LEU HD1 H 0.924 . 4
79 13 13 LEU HD2 H 1.121 . 4
80 13 13 LEU C C 177.864 . 1
81 13 13 LEU CA C 57.601 . 1
82 13 13 LEU CB C 43.248 . 1
83 13 13 LEU CD1 C 24.400 . 2
84 13 13 LEU N N 121.381 . 1
85 14 14 GLN H H 8.351 . 1
86 14 14 GLN HA H 3.863 . 1
87 14 14 GLN HB2 H 1.993 . 2
88 14 14 GLN HE21 H 7.767 . 2
89 14 14 GLN HE22 H 6.845 . 2
90 14 14 GLN C C 179.003 . 1
91 14 14 GLN CA C 58.289 . 1
92 14 14 GLN CB C 28.920 . 1
93 14 14 GLN CG C 34.814 . 1
94 14 14 GLN N N 114.554 . 1
95 14 14 GLN NE2 N 111.048 . 1
96 15 15 LYS H H 7.718 . 1
97 15 15 LYS HA H 4.089 . 1
98 15 15 LYS HD2 H 1.674 . 2
99 15 15 LYS C C 177.237 . 1
100 15 15 LYS CA C 58.385 . 1
101 15 15 LYS CB C 33.226 . 1
102 15 15 LYS N N 117.534 . 1
103 16 16 LYS H H 7.161 . 1
104 16 16 LYS CA C 53.599 . 1
105 16 16 LYS CB C 32.912 . 1
106 16 16 LYS N N 117.931 . 1
107 19 19 PRO HB2 H 2.152 . 2
108 19 19 PRO C C 176.222 . 1
109 19 19 PRO CA C 64.837 . 1
110 19 19 PRO CB C 31.814 . 1
111 20 20 TYR H H 5.947 . 1
112 20 20 TYR HB2 H 2.849 . 2
113 20 20 TYR HB3 H 3.529 . 2
114 20 20 TYR C C 173.746 . 1
115 20 20 TYR CA C 54.887 . 1
116 20 20 TYR CB C 37.785 . 1
117 20 20 TYR N N 108.910 . 1
118 21 21 LEU H H 7.369 . 1
119 21 21 LEU HB2 H 1.175 . 2
120 21 21 LEU HB3 H 1.490 . 2
121 21 21 LEU HD1 H 0.865 . 4
122 21 21 LEU C C 176.387 . 1
123 21 21 LEU CA C 53.205 . 1
124 21 21 LEU CB C 46.989 . 1
125 21 21 LEU CD1 C 25.692 . 2
126 21 21 LEU N N 123.178 . 1
127 22 22 ARG H H 9.107 . 1
128 22 22 ARG HA H 4.758 . 1
129 22 22 ARG C C 174.523 . 1
130 22 22 ARG CA C 52.812 . 1
131 22 22 ARG CB C 34.308 . 1
132 22 22 ARG N N 120.573 . 1
133 23 23 ASN H H 9.001 . 1
134 23 23 ASN HB2 H 2.784 . 2
135 23 23 ASN HB3 H 2.984 . 2
136 23 23 ASN HD21 H 7.344 . 2
137 23 23 ASN HD22 H 6.839 . 2
138 23 23 ASN C C 174.206 . 1
139 23 23 ASN CA C 53.232 . 1
140 23 23 ASN CB C 36.387 . 1
141 23 23 ASN N N 116.352 . 1
142 23 23 ASN ND2 N 110.516 . 1
143 24 24 LEU H H 7.975 . 1
144 24 24 LEU HA H 4.939 . 1
145 24 24 LEU HB2 H 1.597 . 2
146 24 24 LEU HD1 H 0.558 . 4
147 24 24 LEU HD2 H 0.709 . 4
148 24 24 LEU C C 177.358 . 1
149 24 24 LEU CA C 55.709 . 1
150 24 24 LEU CB C 41.916 . 1
151 24 24 LEU CD1 C 23.741 . 2
152 24 24 LEU CG C 27.457 . 1
153 24 24 LEU N N 119.619 . 1
154 25 25 SER H H 9.163 . 1
155 25 25 SER HB2 H 3.743 . 2
156 25 25 SER C C 172.467 . 1
157 25 25 SER CA C 57.493 . 1
158 25 25 SER CB C 65.969 . 1
159 25 25 SER N N 122.243 . 1
160 26 26 SER H H 8.397 . 1
161 26 26 SER HB2 H 3.832 . 2
162 26 26 SER C C 175.213 . 1
163 26 26 SER CA C 57.344 . 1
164 26 26 SER CB C 65.505 . 1
165 26 26 SER N N 115.593 . 1
166 27 27 ASP H H 8.706 . 1
167 27 27 ASP HA H 4.684 . 1
168 27 27 ASP HB2 H 2.591 . 2
169 27 27 ASP HB3 H 3.257 . 2
170 27 27 ASP CA C 54.611 . 1
171 27 27 ASP CB C 42.390 . 1
172 27 27 ASP N N 124.439 . 1
173 28 28 ASP H H 8.718 . 1
174 28 28 ASP HB2 H 2.677 . 2
175 28 28 ASP C C 176.501 . 1
176 28 28 ASP CA C 56.846 . 1
177 28 28 ASP CB C 41.012 . 1
178 28 28 ASP N N 125.173 . 1
179 29 29 ALA H H 8.583 . 1
180 29 29 ALA HB H 1.409 . 1
181 29 29 ALA C C 177.461 . 1
182 29 29 ALA CA C 52.411 . 1
183 29 29 ALA CB C 19.572 . 1
184 29 29 ALA N N 120.876 . 1
185 30 30 ASN H H 7.765 . 1
186 30 30 ASN HA H 4.805 . 1
187 30 30 ASN C C 174.196 . 1
188 30 30 ASN CA C 52.557 . 1
189 30 30 ASN CB C 38.940 . 1
190 30 30 ASN N N 116.583 . 1
191 31 31 VAL H H 8.277 . 1
192 31 31 VAL HB H 2.260 . 1
193 31 31 VAL HG1 H 1.020 . 4
194 31 31 VAL C C 174.011 . 1
195 31 31 VAL CA C 62.710 . 1
196 31 31 VAL CB C 31.838 . 1
197 31 31 VAL CG1 C 20.592 . 2
198 31 31 VAL N N 120.548 . 1
199 32 32 LEU H H 7.656 . 1
200 32 32 LEU HA H 4.334 . 1
201 32 32 LEU HD1 H 0.637 . 4
202 32 32 LEU HD2 H 0.923 . 4
203 32 32 LEU C C 175.549 . 1
204 32 32 LEU CA C 54.560 . 1
205 32 32 LEU CB C 39.540 . 1
206 32 32 LEU CD1 C 25.202 . 2
207 32 32 LEU N N 114.488 . 1
208 33 33 VAL H H 7.654 . 1
209 33 33 VAL C C 174.559 . 1
210 33 33 VAL CA C 61.826 . 1
211 33 33 VAL CB C 34.873 . 1
212 33 33 VAL CG1 C 21.758 . 2
213 33 33 VAL N N 120.018 . 1
214 34 34 TRP H H 9.663 . 1
215 34 34 TRP C C 175.495 . 1
216 34 34 TRP CA C 52.669 . 1
217 34 34 TRP CB C 33.494 . 1
218 34 34 TRP N N 125.372 . 1
219 35 35 HIS H H 9.076 . 1
220 35 35 HIS HB2 H 2.993 . 2
221 35 35 HIS C C 173.706 . 1
222 35 35 HIS CA C 54.399 . 1
223 35 35 HIS CB C 33.034 . 1
224 35 35 HIS N N 118.149 . 1
225 36 36 ALA H H 8.241 . 1
226 36 36 ALA HB H 1.317 . 1
227 36 36 ALA C C 174.123 . 1
228 36 36 ALA CA C 51.659 . 1
229 36 36 ALA CB C 23.549 . 1
230 36 36 ALA N N 118.864 . 1
231 37 37 LEU H H 8.718 . 1
232 37 37 LEU HD1 H 0.737 . 4
233 37 37 LEU HD2 H 1.478 . 4
234 37 37 LEU C C 174.719 . 1
235 37 37 LEU CA C 53.832 . 1
236 37 37 LEU CB C 45.085 . 1
237 37 37 LEU CD1 C 24.879 . 2
238 37 37 LEU N N 119.331 . 1
239 38 38 LEU H H 9.512 . 1
240 38 38 LEU HB2 H 1.848 . 2
241 38 38 LEU HD1 H 0.553 . 4
242 38 38 LEU C C 176.536 . 1
243 38 38 LEU CA C 53.767 . 1
244 38 38 LEU CB C 45.118 . 1
245 38 38 LEU CD1 C 27.396 . 2
246 38 38 LEU N N 125.138 . 1
247 39 39 LEU H H 9.405 . 1
248 39 39 LEU CA C 53.885 . 1
249 39 39 LEU N N 130.234 . 1
250 40 40 PRO C C 176.379 . 1
251 40 40 PRO CA C 63.217 . 1
252 40 40 PRO CB C 33.430 . 1
253 41 41 ASP H H 9.023 . 1
254 41 41 ASP HA H 5.155 . 1
255 41 41 ASP HB2 H 2.718 . 2
256 41 41 ASP HB3 H 2.869 . 2
257 41 41 ASP C C 176.154 . 1
258 41 41 ASP CA C 53.973 . 1
259 41 41 ASP CB C 43.363 . 1
260 41 41 ASP N N 120.417 . 1
261 42 42 GLN H H 7.683 . 1
262 42 42 GLN CA C 52.444 . 1
263 42 42 GLN CB C 30.387 . 1
264 42 42 GLN N N 120.276 . 1
265 44 44 PRO C C 174.771 . 1
266 44 44 PRO CA C 64.389 . 1
267 44 44 PRO CB C 33.900 . 1
268 45 45 TYR H H 7.812 . 1
269 45 45 TYR HB2 H 2.894 . 2
270 45 45 TYR HB3 H 3.373 . 2
271 45 45 TYR C C 174.822 . 1
272 45 45 TYR CA C 59.808 . 1
273 45 45 TYR CB C 38.217 . 1
274 45 45 TYR N N 123.010 . 1
275 46 46 HIS H H 8.278 . 1
276 46 46 HIS HB2 H 3.682 . 2
277 46 46 HIS C C 175.556 . 1
278 46 46 HIS CA C 56.843 . 1
279 46 46 HIS CB C 30.299 . 1
280 46 46 HIS N N 114.221 . 1
281 47 47 LEU H H 7.306 . 1
282 47 47 LEU HG H 1.367 . 1
283 47 47 LEU C C 178.426 . 1
284 47 47 LEU CA C 56.130 . 1
285 47 47 LEU CB C 43.600 . 1
286 47 47 LEU CG C 25.452 . 1
287 47 47 LEU N N 119.228 . 1
288 48 48 LYS H H 7.610 . 1
289 48 48 LYS HD2 H 0.828 . 2
290 48 48 LYS HG2 H 1.466 . 2
291 48 48 LYS C C 171.987 . 1
292 48 48 LYS CA C 53.031 . 1
293 48 48 LYS CB C 37.156 . 1
294 48 48 LYS N N 115.857 . 1
295 49 49 ALA H H 9.106 . 1
296 49 49 ALA HB H 1.209 . 1
297 49 49 ALA C C 174.804 . 1
298 49 49 ALA CA C 49.926 . 1
299 49 49 ALA CB C 23.545 . 1
300 49 49 ALA N N 121.160 . 1
301 50 50 PHE H H 8.544 . 1
302 50 50 PHE HB2 H 2.881 . 2
303 50 50 PHE HB3 H 3.176 . 2
304 50 50 PHE C C 174.544 . 1
305 50 50 PHE CA C 57.529 . 1
306 50 50 PHE CB C 44.048 . 1
307 50 50 PHE N N 114.451 . 1
308 51 51 ASN H H 9.529 . 1
309 51 51 ASN HA H 5.246 . 1
310 51 51 ASN HB2 H 2.745 . 2
311 51 51 ASN C C 174.647 . 1
312 51 51 ASN CA C 54.883 . 1
313 51 51 ASN CB C 40.257 . 1
314 51 51 ASN N N 122.966 . 1
315 52 52 LEU H H 9.280 . 1
316 52 52 LEU HA H 5.029 . 1
317 52 52 LEU HB2 H 1.030 . 2
318 52 52 LEU HD1 H 0.087 . 4
319 52 52 LEU C C 175.657 . 1
320 52 52 LEU CA C 53.479 . 1
321 52 52 LEU CB C 46.556 . 1
322 52 52 LEU CD1 C 24.306 . 2
323 52 52 LEU CG C 25.879 . 1
324 52 52 LEU N N 121.904 . 1
325 53 53 ARG H H 9.008 . 1
326 53 53 ARG HD2 H 3.073 . 2
327 53 53 ARG C C 174.929 . 1
328 53 53 ARG CA C 55.018 . 1
329 53 53 ARG CB C 33.980 . 1
330 53 53 ARG N N 122.756 . 1
331 54 54 ILE H H 9.080 . 1
332 54 54 ILE HG12 H 1.392 . 9
333 54 54 ILE HG2 H -0.089 . 4
334 54 54 ILE C C 173.329 . 1
335 54 54 ILE CA C 60.101 . 1
336 54 54 ILE CB C 40.159 . 1
337 54 54 ILE CD1 C 14.921 . 1
338 54 54 ILE CG1 C 27.911 . 1
339 54 54 ILE CG2 C 17.620 . 1
340 54 54 ILE N N 129.706 . 1
341 55 55 SER H H 8.852 . 1
342 55 55 SER HB2 H 3.565 . 2
343 55 55 SER C C 172.862 . 1
344 55 55 SER CA C 55.777 . 1
345 55 55 SER CB C 64.868 . 1
346 55 55 SER N N 119.778 . 1
347 56 56 PHE H H 8.924 . 1
348 56 56 PHE CA C 55.490 . 1
349 56 56 PHE CB C 39.520 . 1
350 56 56 PHE N N 124.903 . 1
351 58 58 PRO HB2 H 2.169 . 2
352 58 58 PRO C C 177.616 . 1
353 58 58 PRO CA C 65.012 . 1
354 58 58 PRO CB C 31.588 . 1
355 59 59 GLU H H 8.478 . 1
356 59 59 GLU HA H 4.361 . 1
357 59 59 GLU C C 176.831 . 1
358 59 59 GLU CA C 57.112 . 1
359 59 59 GLU CB C 29.446 . 1
360 59 59 GLU N N 112.148 . 1
361 60 60 TYR H H 8.231 . 1
362 60 60 TYR CA C 58.057 . 1
363 60 60 TYR CB C 39.461 . 1
364 60 60 TYR N N 123.770 . 1
365 61 61 PRO C C 175.039 . 1
366 61 61 PRO CA C 63.786 . 1
367 61 61 PRO CB C 33.074 . 1
368 62 62 PHE H H 9.349 . 1
369 62 62 PHE HB2 H 3.119 . 2
370 62 62 PHE HB3 H 3.387 . 2
371 62 62 PHE C C 175.710 . 1
372 62 62 PHE CA C 60.739 . 1
373 62 62 PHE CB C 38.054 . 1
374 62 62 PHE N N 125.952 . 1
375 63 63 LYS H H 7.055 . 1
376 63 63 LYS CA C 52.935 . 1
377 63 63 LYS CB C 35.896 . 1
378 63 63 LYS N N 117.679 . 1
379 65 65 PRO HA H 4.230 . 1
380 65 65 PRO C C 174.298 . 1
381 65 65 PRO CA C 61.621 . 1
382 65 65 PRO CB C 31.843 . 1
383 66 66 MET H H 8.325 . 1
384 66 66 MET HA H 4.475 . 1
385 66 66 MET HB2 H 2.343 . 2
386 66 66 MET C C 174.788 . 1
387 66 66 MET CA C 54.182 . 1
388 66 66 MET CB C 34.803 . 1
389 66 66 MET N N 117.327 . 1
390 67 67 ILE H H 8.316 . 1
391 67 67 ILE HA H 4.699 . 1
392 67 67 ILE HG12 H 1.202 . 9
393 67 67 ILE HG2 H 0.464 . 4
394 67 67 ILE C C 173.257 . 1
395 67 67 ILE CA C 59.865 . 1
396 67 67 ILE CB C 40.573 . 1
397 67 67 ILE CD1 C 13.913 . 1
398 67 67 ILE CG1 C 27.488 . 1
399 67 67 ILE CG2 C 17.178 . 1
400 67 67 ILE N N 123.247 . 1
401 68 68 LYS H H 8.439 . 1
402 68 68 LYS HB2 H 1.570 . 2
403 68 68 LYS HG2 H 1.271 . 2
404 68 68 LYS C C 175.759 . 1
405 68 68 LYS CA C 54.387 . 1
406 68 68 LYS CB C 36.793 . 1
407 68 68 LYS N N 123.834 . 1
408 69 69 PHE H H 9.576 . 1
409 69 69 PHE HB2 H 2.974 . 2
410 69 69 PHE HB3 H 3.586 . 2
411 69 69 PHE C C 177.410 . 1
412 69 69 PHE CA C 59.213 . 1
413 69 69 PHE CB C 39.957 . 1
414 69 69 PHE N N 122.830 . 1
415 70 70 THR H H 8.932 . 1
416 70 70 THR HA H 4.481 . 1
417 70 70 THR HG2 H 1.117 . 1
418 70 70 THR C C 175.453 . 1
419 70 70 THR CA C 61.980 . 1
420 70 70 THR CB C 67.365 . 1
421 70 70 THR N N 114.574 . 1
422 71 71 THR H H 7.494 . 1
423 71 71 THR HB H 3.757 . 1
424 71 71 THR C C 173.984 . 1
425 71 71 THR CA C 62.088 . 1
426 71 71 THR CB C 71.269 . 1
427 71 71 THR N N 121.982 . 1
428 72 72 LYS H H 8.853 . 1
429 72 72 LYS HA H 4.222 . 1
430 72 72 LYS HG2 H 1.335 . 2
431 72 72 LYS C C 174.993 . 1
432 72 72 LYS CA C 58.020 . 1
433 72 72 LYS CB C 33.097 . 1
434 72 72 LYS N N 126.631 . 1
435 73 73 ILE H H 7.975 . 1
436 73 73 ILE C C 171.675 . 1
437 73 73 ILE CA C 59.501 . 1
438 73 73 ILE CB C 41.168 . 1
439 73 73 ILE N N 119.643 . 1
440 74 74 TYR H H 8.634 . 1
441 74 74 TYR HB2 H 3.140 . 2
442 74 74 TYR C C 172.534 . 1
443 74 74 TYR CA C 57.135 . 1
444 74 74 TYR CB C 37.969 . 1
445 74 74 TYR N N 132.209 . 1
446 75 75 HIS H H 8.947 . 1
447 75 75 HIS CA C 55.224 . 1
448 75 75 HIS CB C 36.270 . 1
449 75 75 HIS N N 129.199 . 1
450 76 76 PRO HA H 4.317 . 1
451 76 76 PRO HG2 H 1.578 . 2
452 76 76 PRO C C 176.948 . 1
453 76 76 PRO CA C 64.660 . 1
454 76 76 PRO CB C 32.231 . 1
455 77 77 ASN H H 11.483 . 1
456 77 77 ASN HB2 H 2.415 . 2
457 77 77 ASN HB3 H 3.389 . 2
458 77 77 ASN C C 170.889 . 1
459 77 77 ASN CA C 54.688 . 1
460 77 77 ASN CB C 40.756 . 1
461 77 77 ASN N N 118.947 . 1
462 78 78 VAL H H 7.498 . 1
463 78 78 VAL HA H 3.560 . 1
464 78 78 VAL C C 175.930 . 1
465 78 78 VAL CA C 60.590 . 1
466 78 78 VAL CB C 35.341 . 1
467 78 78 VAL CG1 C 20.402 . 2
468 78 78 VAL N N 119.348 . 1
469 79 79 ASP H H 8.917 . 1
470 79 79 ASP HB2 H 2.594 . 2
471 79 79 ASP C C 177.944 . 1
472 79 79 ASP CA C 53.058 . 1
473 79 79 ASP CB C 41.280 . 1
474 79 79 ASP N N 125.634 . 1
475 80 80 GLU H H 9.251 . 1
476 80 80 GLU HA H 4.115 . 1
477 80 80 GLU HB2 H 2.206 . 2
478 80 80 GLU C C 176.578 . 1
479 80 80 GLU CA C 59.347 . 1
480 80 80 GLU CB C 29.804 . 1
481 80 80 GLU N N 117.232 . 1
482 81 81 ASN H H 8.395 . 1
483 81 81 ASN HA H 4.884 . 1
484 81 81 ASN HB2 H 2.908 . 2
485 81 81 ASN HD21 H 7.825 . 2
486 81 81 ASN HD22 H 6.988 . 2
487 81 81 ASN C C 175.380 . 1
488 81 81 ASN CA C 52.992 . 1
489 81 81 ASN CB C 39.648 . 1
490 81 81 ASN N N 116.375 . 1
491 81 81 ASN ND2 N 114.650 . 1
492 82 82 GLY H H 8.141 . 1
493 82 82 GLY HA2 H 3.636 . 2
494 82 82 GLY HA3 H 4.791 . 2
495 82 82 GLY C C 174.357 . 1
496 82 82 GLY CA C 46.402 . 1
497 82 82 GLY N N 108.824 . 1
498 83 83 GLN H H 8.413 . 1
499 83 83 GLN HA H 4.498 . 1
500 83 83 GLN HE21 H 7.599 . 2
501 83 83 GLN HE22 H 6.898 . 2
502 83 83 GLN HG2 H 2.432 . 2
503 83 83 GLN C C 174.582 . 1
504 83 83 GLN CA C 55.808 . 1
505 83 83 GLN CB C 28.917 . 1
506 83 83 GLN CG C 33.139 . 1
507 83 83 GLN N N 119.859 . 1
508 83 83 GLN NE2 N 113.983 . 1
509 84 84 ILE H H 8.433 . 1
510 84 84 ILE HB H 1.600 . 1
511 84 84 ILE HG2 H 0.895 . 4
512 84 84 ILE C C 175.349 . 1
513 84 84 ILE CA C 59.455 . 1
514 84 84 ILE CB C 42.546 . 1
515 84 84 ILE CD1 C 15.165 . 1
516 84 84 ILE CG1 C 26.793 . 1
517 84 84 ILE CG2 C 18.002 . 1
518 84 84 ILE N N 116.337 . 1
519 85 85 CYS H H 8.612 . 1
520 85 85 CYS HB2 H 2.769 . 2
521 85 85 CYS C C 172.522 . 1
522 85 85 CYS CA C 57.647 . 1
523 85 85 CYS CB C 27.025 . 1
524 85 85 CYS N N 125.657 . 1
525 86 86 LEU H H 7.801 . 1
526 86 86 LEU CA C 51.336 . 1
527 86 86 LEU CB C 44.838 . 1
528 86 86 LEU N N 126.780 . 1
529 87 87 PRO C C 179.201 . 1
530 87 87 PRO CA C 66.514 . 1
531 87 87 PRO CB C 31.611 . 1
532 88 88 ILE H H 8.053 . 1
533 88 88 ILE HA H 4.212 . 1
534 88 88 ILE HG12 H 1.045 . 9
535 88 88 ILE C C 174.631 . 1
536 88 88 ILE CA C 64.303 . 1
537 88 88 ILE CB C 38.090 . 1
538 88 88 ILE CD1 C 14.028 . 1
539 88 88 ILE N N 115.417 . 1
540 89 89 ILE H H 7.340 . 1
541 89 89 ILE HG2 H 0.934 . 4
542 89 89 ILE C C 175.187 . 1
543 89 89 ILE CA C 60.521 . 1
544 89 89 ILE CB C 37.416 . 1
545 89 89 ILE CG2 C 20.674 . 1
546 89 89 ILE N N 108.236 . 1
547 90 90 SER H H 7.884 . 1
548 90 90 SER C C 176.779 . 1
549 90 90 SER CA C 58.283 . 1
550 90 90 SER CB C 64.260 . 1
551 90 90 SER N N 118.491 . 1
552 91 91 SER H H 10.075 . 1
553 91 91 SER HB2 H 4.015 . 2
554 91 91 SER C C 177.169 . 1
555 91 91 SER CA C 61.454 . 1
556 91 91 SER N N 118.314 . 1
557 92 92 GLU H H 7.402 . 1
558 92 92 GLU HA H 4.200 . 1
559 92 92 GLU HG2 H 2.265 . 2
560 92 92 GLU C C 176.882 . 1
561 92 92 GLU CA C 58.678 . 1
562 92 92 GLU CB C 29.360 . 1
563 92 92 GLU N N 122.653 . 1
564 93 93 ASN H H 7.482 . 1
565 93 93 ASN HA H 4.884 . 1
566 93 93 ASN HB2 H 2.810 . 2
567 93 93 ASN HB3 H 2.962 . 2
568 93 93 ASN C C 176.072 . 1
569 93 93 ASN CA C 53.051 . 1
570 93 93 ASN CB C 40.559 . 1
571 93 93 ASN N N 114.709 . 1
572 94 94 TRP H H 8.129 . 1
573 94 94 TRP HB2 H 3.148 . 2
574 94 94 TRP C C 175.258 . 1
575 94 94 TRP CA C 58.537 . 1
576 94 94 TRP CB C 29.809 . 1
577 94 94 TRP N N 122.243 . 1
578 95 95 LYS H H 6.439 . 1
579 95 95 LYS CA C 52.006 . 1
580 95 95 LYS CB C 34.504 . 1
581 95 95 LYS N N 125.848 . 1
582 96 96 PRO HG2 H 1.684 . 2
583 96 96 PRO C C 175.441 . 1
584 96 96 PRO CA C 64.129 . 1
585 96 96 PRO CB C 31.991 . 1
586 97 97 SER H H 6.931 . 1
587 97 97 SER HB2 H 3.652 . 2
588 97 97 SER HB3 H 4.009 . 2
589 97 97 SER C C 175.127 . 1
590 97 97 SER CA C 57.955 . 1
591 97 97 SER CB C 62.920 . 1
592 97 97 SER N N 107.450 . 1
593 98 98 THR H H 7.574 . 1
594 98 98 THR HG2 H 1.146 . 1
595 98 98 THR C C 172.392 . 1
596 98 98 THR CA C 63.952 . 1
597 98 98 THR CB C 68.133 . 1
598 98 98 THR N N 123.543 . 1
599 99 99 LYS H H 8.326 . 1
600 99 99 LYS HB2 H 1.672 . 2
601 99 99 LYS C C 178.874 . 1
602 99 99 LYS CA C 54.833 . 1
603 99 99 LYS CB C 33.974 . 1
604 99 99 LYS N N 124.918 . 1
605 100 100 THR H H 9.910 . 1
606 100 100 THR N N 122.853 . 1
607 102 102 GLN HA H 4.266 . 1
608 102 102 GLN HE21 H 7.766 . 2
609 102 102 GLN HE22 H 6.998 . 2
610 102 102 GLN HG2 H 2.363 . 2
611 102 102 GLN CB C 29.313 . 1
612 102 102 GLN CG C 35.221 . 1
613 102 102 GLN NE2 N 111.610 . 1
614 103 103 VAL H H 7.720 . 1
615 103 103 VAL HA H 3.567 . 1
616 103 103 VAL HG1 H 1.127 . 4
617 103 103 VAL C C 177.325 . 1
618 103 103 VAL CA C 66.523 . 1
619 103 103 VAL CB C 31.741 . 1
620 103 103 VAL CG1 C 22.690 . 2
621 103 103 VAL N N 122.593 . 1
622 104 104 LEU H H 8.562 . 1
623 104 104 LEU C C 177.935 . 1
624 104 104 LEU CA C 57.723 . 1
625 104 104 LEU CB C 41.608 . 1
626 104 104 LEU CD1 C 25.923 . 2
627 104 104 LEU N N 118.134 . 1
628 105 105 GLU H H 7.758 . 1
629 105 105 GLU HA H 4.035 . 1
630 105 105 GLU HG2 H 2.360 . 2
631 105 105 GLU C C 178.171 . 1
632 105 105 GLU CA C 59.582 . 1
633 105 105 GLU CB C 30.116 . 1
634 105 105 GLU N N 120.177 . 1
635 106 106 ALA H H 7.600 . 1
636 106 106 ALA HB H 1.616 . 1
637 106 106 ALA C C 180.607 . 1
638 106 106 ALA CA C 54.880 . 1
639 106 106 ALA CB C 18.166 . 1
640 106 106 ALA N N 121.151 . 1
641 107 107 LEU H H 8.383 . 1
642 107 107 LEU HD1 H 0.794 . 4
643 107 107 LEU C C 176.559 . 1
644 107 107 LEU CA C 57.921 . 1
645 107 107 LEU CB C 41.603 . 1
646 107 107 LEU CD1 C 24.741 . 2
647 107 107 LEU CG C 27.237 . 1
648 107 107 LEU N N 121.104 . 1
649 108 108 ASN H H 8.047 . 1
650 108 108 ASN HB2 H 2.368 . 2
651 108 108 ASN C C 177.104 . 1
652 108 108 ASN CA C 57.571 . 1
653 108 108 ASN CB C 38.788 . 1
654 108 108 ASN N N 117.770 . 1
655 109 109 VAL H H 7.752 . 1
656 109 109 VAL HA H 3.632 . 1
657 109 109 VAL HG1 H 1.019 . 4
658 109 109 VAL C C 177.044 . 1
659 109 109 VAL CA C 66.522 . 1
660 109 109 VAL CB C 31.707 . 1
661 109 109 VAL CG1 C 23.182 . 2
662 109 109 VAL CG2 C 21.072 . 2
663 109 109 VAL N N 117.480 . 1
664 110 110 LEU H H 7.453 . 1
665 110 110 LEU HB2 H 1.894 . 2
666 110 110 LEU HD1 H 1.080 . 4
667 110 110 LEU C C 178.179 . 1
668 110 110 LEU CA C 56.991 . 1
669 110 110 LEU CB C 42.782 . 1
670 110 110 LEU CG C 26.848 . 1
671 110 110 LEU N N 119.986 . 1
672 111 111 VAL H H 8.126 . 1
673 111 111 VAL HB H 2.998 . 1
674 111 111 VAL HG1 H 0.351 . 4
675 111 111 VAL HG2 H 0.551 . 4
676 111 111 VAL C C 177.031 . 1
677 111 111 VAL CA C 65.828 . 1
678 111 111 VAL CB C 30.613 . 1
679 111 111 VAL CG1 C 23.537 . 2
680 111 111 VAL N N 115.819 . 1
681 112 112 ASN H H 7.265 . 1
682 112 112 ASN HA H 4.585 . 1
683 112 112 ASN HB2 H 2.757 . 2
684 112 112 ASN HD21 H 7.178 . 2
685 112 112 ASN HD22 H 6.778 . 2
686 112 112 ASN C C 175.432 . 1
687 112 112 ASN CA C 55.573 . 1
688 112 112 ASN CB C 40.280 . 1
689 112 112 ASN N N 112.843 . 1
690 112 112 ASN ND2 N 112.455 . 1
691 113 113 ARG H H 8.329 . 1
692 113 113 ARG CA C 53.020 . 1
693 113 113 ARG CB C 30.533 . 1
694 113 113 ARG N N 121.241 . 1
695 114 114 PRO HA H 4.502 . 1
696 114 114 PRO C C 175.828 . 1
697 114 114 PRO CA C 63.185 . 1
698 114 114 PRO CB C 32.182 . 1
699 115 115 ASN H H 8.843 . 1
700 115 115 ASN HB2 H 2.819 . 2
701 115 115 ASN HD21 H 7.650 . 2
702 115 115 ASN HD22 H 7.111 . 2
703 115 115 ASN C C 176.748 . 1
704 115 115 ASN CA C 51.382 . 1
705 115 115 ASN CB C 39.226 . 1
706 115 115 ASN N N 120.208 . 1
707 115 115 ASN ND2 N 111.962 . 1
708 116 116 ILE H H 8.369 . 1
709 116 116 ILE HA H 3.743 . 1
710 116 116 ILE HB H 1.768 . 1
711 116 116 ILE HG12 H 1.223 . 9
712 116 116 ILE HG2 H 0.768 . 4
713 116 116 ILE C C 175.492 . 1
714 116 116 ILE CA C 62.185 . 1
715 116 116 ILE CB C 37.625 . 1
716 116 116 ILE CD1 C 13.812 . 1
717 116 116 ILE CG1 C 26.439 . 1
718 116 116 ILE CG2 C 19.717 . 1
719 116 116 ILE N N 118.323 . 1
720 117 117 ARG H H 7.925 . 1
721 117 117 ARG HA H 4.154 . 1
722 117 117 ARG HD2 H 3.197 . 2
723 117 117 ARG HG2 H 1.640 . 2
724 117 117 ARG C C 176.861 . 1
725 117 117 ARG CA C 57.406 . 1
726 117 117 ARG CB C 30.156 . 1
727 117 117 ARG N N 119.300 . 1
728 118 118 GLU H H 6.933 . 1
729 118 118 GLU CA C 53.666 . 1
730 118 118 GLU CB C 30.216 . 1
731 118 118 GLU N N 116.577 . 1
732 119 119 PRO HB2 H 1.750 . 2
733 119 119 PRO HG2 H 1.468 . 2
734 119 119 PRO C C 176.476 . 1
735 119 119 PRO CA C 63.071 . 1
736 120 120 LEU H H 8.311 . 1
737 120 120 LEU HB2 H 1.385 . 2
738 120 120 LEU HD1 H 0.843 . 4
739 120 120 LEU C C 177.480 . 1
740 120 120 LEU CA C 55.685 . 1
741 120 120 LEU CB C 44.083 . 1
742 120 120 LEU CD1 C 23.185 . 2
743 120 120 LEU CG C 25.979 . 1
744 120 120 LEU N N 117.768 . 1
745 121 121 ARG H H 7.852 . 1
746 121 121 ARG C C 176.137 . 1
747 121 121 ARG CA C 54.781 . 1
748 121 121 ARG CB C 31.421 . 1
749 121 121 ARG N N 118.603 . 1
750 122 122 MET H H 9.138 . 1
751 122 122 MET HA H 3.939 . 1
752 122 122 MET HB2 H 2.604 . 2
753 122 122 MET C C 177.212 . 1
754 122 122 MET CA C 58.392 . 1
755 122 122 MET CB C 31.874 . 1
756 122 122 MET N N 125.881 . 1
757 123 123 ASP H H 9.207 . 1
758 123 123 ASP HB2 H 2.562 . 2
759 123 123 ASP HB3 H 2.829 . 2
760 123 123 ASP C C 179.451 . 1
761 123 123 ASP CA C 56.025 . 1
762 123 123 ASP CB C 37.583 . 1
763 123 123 ASP N N 116.699 . 1
764 124 124 LEU H H 7.283 . 1
765 124 124 LEU HB2 H 1.467 . 2
766 124 124 LEU C C 178.111 . 1
767 124 124 LEU CA C 58.511 . 1
768 124 124 LEU CB C 42.384 . 1
769 124 124 LEU N N 122.696 . 1
770 125 125 ALA H H 7.633 . 1
771 125 125 ALA HA H 4.959 . 1
772 125 125 ALA HB H 1.482 . 1
773 125 125 ALA C C 178.791 . 1
774 125 125 ALA CA C 55.398 . 1
775 125 125 ALA CB C 18.448 . 1
776 125 125 ALA N N 121.231 . 1
777 126 126 ASP H H 8.360 . 1
778 126 126 ASP HB2 H 2.641 . 2
779 126 126 ASP C C 177.973 . 1
780 126 126 ASP CA C 57.275 . 1
781 126 126 ASP CB C 40.562 . 1
782 126 126 ASP N N 118.450 . 1
783 127 127 LEU H H 7.704 . 1
784 127 127 LEU HA H 4.009 . 1
785 127 127 LEU HD1 H 0.734 . 4
786 127 127 LEU CA C 58.131 . 1
787 127 127 LEU CB C 42.548 . 1
788 127 127 LEU CG C 25.800 . 1
789 127 127 LEU N N 121.051 . 1
790 128 128 LEU H H 8.032 . 1
791 128 128 LEU HD1 H 0.301 . 4
792 128 128 LEU HD2 H 0.650 . 4
793 128 128 LEU C C 177.656 . 1
794 128 128 LEU CA C 58.468 . 1
795 128 128 LEU CB C 41.242 . 1
796 128 128 LEU CD1 C 22.797 . 2
797 128 128 LEU CG C 25.507 . 1
798 128 128 LEU N N 118.217 . 1
799 129 129 THR H H 7.539 . 1
800 129 129 THR HA H 4.237 . 1
801 129 129 THR HB H 3.949 . 1
802 129 129 THR HG2 H 1.191 . 1
803 129 129 THR C C 176.216 . 1
804 129 129 THR CA C 65.176 . 1
805 129 129 THR CB C 69.241 . 1
806 129 129 THR N N 109.693 . 1
807 130 130 GLN H H 8.453 . 1
808 130 130 GLN HA H 4.240 . 1
809 130 130 GLN HE21 H 7.598 . 2
810 130 130 GLN HE22 H 6.791 . 2
811 130 130 GLN HG2 H 2.502 . 2
812 130 130 GLN C C 177.168 . 1
813 130 130 GLN CA C 57.655 . 1
814 130 130 GLN CB C 29.900 . 1
815 130 130 GLN CG C 33.842 . 1
816 130 130 GLN N N 118.774 . 1
817 130 130 GLN NE2 N 111.844 . 1
818 131 131 ASN H H 9.098 . 1
819 131 131 ASN HD21 H 7.857 . 2
820 131 131 ASN HD22 H 6.890 . 2
821 131 131 ASN CA C 50.967 . 1
822 131 131 ASN CB C 38.539 . 1
823 131 131 ASN N N 116.552 . 1
824 131 131 ASN ND2 N 112.448 . 1
825 132 132 PRO HA H 4.393 . 1
826 132 132 PRO HB2 H 2.077 . 2
827 132 132 PRO C C 179.476 . 1
828 132 132 PRO CA C 65.438 . 1
829 132 132 PRO CB C 31.556 . 1
830 133 133 GLU H H 8.770 . 1
831 133 133 GLU HA H 4.140 . 1
832 133 133 GLU HG2 H 2.341 . 2
833 133 133 GLU C C 178.816 . 1
834 133 133 GLU CA C 59.750 . 1
835 133 133 GLU CB C 29.153 . 1
836 133 133 GLU N N 118.261 . 1
837 134 134 LEU H H 7.425 . 1
838 134 134 LEU HD1 H 0.948 . 4
839 134 134 LEU C C 178.584 . 1
840 134 134 LEU CA C 57.115 . 1
841 134 134 LEU CB C 42.127 . 1
842 134 134 LEU CG C 25.499 . 1
843 134 134 LEU N N 123.115 . 1
844 135 135 PHE H H 8.304 . 1
845 135 135 PHE HB2 H 2.821 . 2
846 135 135 PHE HB3 H 3.340 . 2
847 135 135 PHE C C 176.453 . 1
848 135 135 PHE CA C 63.436 . 1
849 135 135 PHE CB C 39.134 . 1
850 135 135 PHE N N 118.300 . 1
851 136 136 ARG H H 8.464 . 1
852 136 136 ARG HB2 H 1.782 . 2
853 136 136 ARG C C 178.005 . 1
854 136 136 ARG CA C 60.234 . 1
855 136 136 ARG CB C 29.374 . 1
856 136 136 ARG N N 117.896 . 1
857 137 137 LYS H H 7.850 . 1
858 137 137 LYS HA H 3.988 . 1
859 137 137 LYS HB2 H 1.897 . 2
860 137 137 LYS HD2 H 1.615 . 2
861 137 137 LYS C C 179.186 . 1
862 137 137 LYS CA C 59.772 . 1
863 137 137 LYS CB C 32.621 . 1
864 137 137 LYS N N 120.498 . 1
865 138 138 ASN H H 8.360 . 1
866 138 138 ASN HB2 H 2.604 . 2
867 138 138 ASN HD21 H 7.785 . 2
868 138 138 ASN HD22 H 7.274 . 2
869 138 138 ASN C C 178.034 . 1
870 138 138 ASN CA C 55.081 . 1
871 138 138 ASN CB C 37.966 . 1
872 138 138 ASN N N 119.456 . 1
873 138 138 ASN ND2 N 108.417 . 1
874 139 139 ALA H H 8.882 . 1
875 139 139 ALA HB H 1.093 . 1
876 139 139 ALA C C 180.774 . 1
877 139 139 ALA CA C 55.192 . 1
878 139 139 ALA CB C 18.295 . 1
879 139 139 ALA N N 123.033 . 1
880 140 140 GLU H H 8.959 . 1
881 140 140 GLU HB2 H 2.152 . 2
882 140 140 GLU C C 177.535 . 1
883 140 140 GLU CA C 60.713 . 1
884 140 140 GLU CB C 30.165 . 1
885 140 140 GLU N N 124.475 . 1
886 141 141 GLU H H 7.944 . 1
887 141 141 GLU HA H 3.888 . 1
888 141 141 GLU HB2 H 2.121 . 2
889 141 141 GLU HG2 H 2.407 . 2
890 141 141 GLU C C 179.201 . 1
891 141 141 GLU CA C 59.843 . 1
892 141 141 GLU CB C 29.417 . 1
893 141 141 GLU N N 118.991 . 1
894 142 142 PHE H H 8.269 . 1
895 142 142 PHE HB2 H 3.154 . 2
896 142 142 PHE C C 179.790 . 1
897 142 142 PHE CA C 62.270 . 1
898 142 142 PHE CB C 39.503 . 1
899 142 142 PHE N N 120.353 . 1
900 143 143 THR H H 8.624 . 1
901 143 143 THR C C 176.092 . 1
902 143 143 THR CA C 67.705 . 1
903 143 143 THR CB C 68.878 . 1
904 143 143 THR N N 120.563 . 1
905 144 144 LEU H H 8.227 . 1
906 144 144 LEU HB2 H 1.802 . 2
907 144 144 LEU HD1 H 0.849 . 4
908 144 144 LEU C C 178.849 . 1
909 144 144 LEU CA C 57.869 . 1
910 144 144 LEU CB C 41.801 . 1
911 144 144 LEU CD1 C 25.235 . 2
912 144 144 LEU N N 119.884 . 1
913 145 145 ARG H H 7.825 . 1
914 145 145 ARG HD2 H 2.719 . 2
915 145 145 ARG HG2 H 1.360 . 2
916 145 145 ARG C C 177.831 . 1
917 145 145 ARG CA C 58.686 . 1
918 145 145 ARG CB C 30.969 . 1
919 145 145 ARG N N 118.067 . 1
920 146 146 PHE H H 7.661 . 1
921 146 146 PHE HA H 4.850 . 1
922 146 146 PHE HB2 H 2.641 . 2
923 146 146 PHE C C 176.196 . 1
924 146 146 PHE CA C 58.613 . 1
925 146 146 PHE CB C 41.780 . 1
926 146 146 PHE N N 112.361 . 1
927 147 147 GLY H H 8.382 . 1
928 147 147 GLY HA2 H 3.429 . 2
929 147 147 GLY HA3 H 3.848 . 2
930 147 147 GLY C C 172.655 . 1
931 147 147 GLY CA C 45.113 . 1
932 147 147 GLY N N 107.341 . 1
933 148 148 VAL H H 8.310 . 1
934 148 148 VAL HA H 4.224 . 1
935 148 148 VAL HB H 1.792 . 1
936 148 148 VAL HG1 H 0.958 . 4
937 148 148 VAL C C 175.566 . 1
938 148 148 VAL CA C 61.066 . 1
939 148 148 VAL CB C 33.130 . 1
940 148 148 VAL CG1 C 21.525 . 2
941 148 148 VAL N N 120.324 . 1
942 149 149 ASP H H 8.351 . 1
943 149 149 ASP HB2 H 2.445 . 2
944 149 149 ASP C C 176.020 . 1
945 149 149 ASP CA C 55.963 . 1
946 149 149 ASP CB C 40.586 . 1
947 149 149 ASP N N 123.869 . 1
948 150 150 ARG H H 8.480 . 1
949 150 150 ARG CA C 53.930 . 1
950 150 150 ARG CB C 31.462 . 1
951 150 150 ARG N N 122.597 . 1
952 151 151 PRO HA H 4.510 . 1
953 151 151 PRO HB2 H 2.321 . 2
954 151 151 PRO HD2 H 3.307 . 2
955 151 151 PRO HG2 H 1.879 . 2
956 151 151 PRO C C 175.440 . 1
957 151 151 PRO CA C 62.889 . 1
958 151 151 PRO CB C 32.089 . 1
959 152 152 SER H H 8.109 . 1
960 152 152 SER CA C 60.559 . 1
961 152 152 SER CB C 64.463 . 1
962 152 152 SER N N 121.332 . 1
stop_
loop_
_Atom_shift_assign_ID_ambiguity
30
'30,30'
'37,37,37'
'78,78,78,79,79,79'
'121,121,121'
'146,146,146,147,147,147'
'193,193,193'
'201,201,201,202,202,202'
'232,232,232,233,233,233'
'241,241,241'
'318,318,318'
'333,333,333'
'393,393,393'
'511,511,511'
'541,541,541'
'616,616,616'
'642,642,642'
'657,657,657'
'666,666,666'
'674,674,674,675,675,675'
'712,712,712'
'738,738,738'
'785,785,785'
'791,791,791,792,792,792'
'838,838,838'
'907,907,907'
'936,936,936'
stop_
save_