data_10083
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
PDZ domain of human RIM2B
;
_BMRB_accession_number 10083
_BMRB_flat_file_name bmr10083.str
_Entry_type original
_Submission_date 2007-01-24
_Accession_date 2007-01-24
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Nagashima T. . .
2 Hayashi F. . .
3 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 757
"13C chemical shifts" 561
"15N chemical shifts" 136
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-14 original author .
stop_
_Original_release_date 2008-08-14
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'PDZ domain of human RIM2B'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Nagashima T. . .
2 Hayashi F. . .
3 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Regulating synaptic membrane exocytosis protein 2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Regulating synaptic membrane exocytosis protein 2' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'PDZ domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 131
_Mol_residue_sequence
;
GSSGSSGHSHSDKHPVTWQP
SKDGDRLIGRILLNKRLKDG
SVPRDSGAMLGLKVVGGKMT
ESGRLCAFITKVKKGSLADT
VGHLRPGDEVLEWNGRLLQG
ATFEEVYNIILESKPEPQVE
LVVSRSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 HIS 9 SER 10 HIS
11 SER 12 ASP 13 LYS 14 HIS 15 PRO
16 VAL 17 THR 18 TRP 19 GLN 20 PRO
21 SER 22 LYS 23 ASP 24 GLY 25 ASP
26 ARG 27 LEU 28 ILE 29 GLY 30 ARG
31 ILE 32 LEU 33 LEU 34 ASN 35 LYS
36 ARG 37 LEU 38 LYS 39 ASP 40 GLY
41 SER 42 VAL 43 PRO 44 ARG 45 ASP
46 SER 47 GLY 48 ALA 49 MET 50 LEU
51 GLY 52 LEU 53 LYS 54 VAL 55 VAL
56 GLY 57 GLY 58 LYS 59 MET 60 THR
61 GLU 62 SER 63 GLY 64 ARG 65 LEU
66 CYS 67 ALA 68 PHE 69 ILE 70 THR
71 LYS 72 VAL 73 LYS 74 LYS 75 GLY
76 SER 77 LEU 78 ALA 79 ASP 80 THR
81 VAL 82 GLY 83 HIS 84 LEU 85 ARG
86 PRO 87 GLY 88 ASP 89 GLU 90 VAL
91 LEU 92 GLU 93 TRP 94 ASN 95 GLY
96 ARG 97 LEU 98 LEU 99 GLN 100 GLY
101 ALA 102 THR 103 PHE 104 GLU 105 GLU
106 VAL 107 TYR 108 ASN 109 ILE 110 ILE
111 LEU 112 GLU 113 SER 114 LYS 115 PRO
116 GLU 117 PRO 118 GLN 119 VAL 120 GLU
121 LEU 122 VAL 123 VAL 124 SER 125 ARG
126 SER 127 GLY 128 PRO 129 SER 130 SER
131 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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 1WFG "Pdz Domain Of Human Rim2b" 100.00 131 100.00 100.00 2.27e-87
DBJ BAA34471 "KIAA0751 protein [Homo sapiens]" 90.08 1200 100.00 100.00 5.74e-73
DBJ BAB18975 "Rim2 [Mus musculus]" 90.08 1530 100.00 100.00 2.51e-72
DBJ BAC98016 "mKIAA0751 protein [Mus musculus]" 85.50 1297 100.00 100.00 5.65e-68
DBJ BAG10377 "regulating synaptic membrane exocytosis protein 2 [synthetic construct]" 90.08 1188 100.00 100.00 5.17e-73
DBJ BAG54403 "unnamed protein product [Homo sapiens]" 85.50 1349 100.00 100.00 1.07e-67
EMBL CAH18227 "hypothetical protein [Homo sapiens]" 85.50 471 100.00 100.00 8.49e-72
GB AAC19157 "unknown [Homo sapiens]" 64.89 369 100.00 100.00 2.18e-49
GB AAF81644 "RIM2 [Rattus norvegicus]" 85.50 1555 100.00 100.00 1.01e-67
GB AAF81645 "RIM2-2A [Rattus norvegicus]" 85.50 1352 100.00 100.00 1.17e-67
GB AAF81646 "RIM2-2B [Rattus norvegicus]" 89.31 1399 99.15 100.00 9.39e-71
GB AAF81647 "RIM2-3A [Rattus norvegicus]" 85.50 1368 100.00 100.00 1.26e-67
REF NP_001093587 "regulating synaptic membrane exocytosis protein 2 isoform a [Homo sapiens]" 85.50 1349 100.00 100.00 1.07e-67
REF NP_001243311 "regulating synaptic membrane exocytosis protein 2 isoform a [Mus musculus]" 90.08 1572 100.00 100.00 2.01e-72
REF NP_001243312 "regulating synaptic membrane exocytosis protein 2 isoform b [Mus musculus]" 90.08 1550 100.00 100.00 1.82e-72
REF NP_001269810 "regulating synaptic membrane exocytosis protein 2 isoform c [Homo sapiens]" 90.08 1188 100.00 100.00 5.17e-73
REF NP_055492 "regulating synaptic membrane exocytosis protein 2 isoform b [Homo sapiens]" 85.50 1163 100.00 100.00 3.54e-68
SP Q9EQZ7 "RecName: Full=Regulating synaptic membrane exocytosis protein 2; AltName: Full=Rab-3-interacting molecule 2; Short=RIM 2; AltNa" 90.08 1530 100.00 100.00 2.51e-72
SP Q9JIS1 "RecName: Full=Regulating synaptic membrane exocytosis protein 2; AltName: Full=Rab-3-interacting molecule 2; Short=RIM 2" 85.50 1555 100.00 100.00 1.01e-67
SP Q9UQ26 "RecName: Full=Regulating synaptic membrane exocytosis protein 2; AltName: Full=Rab-3-interacting molecule 2; Short=RIM 2; AltNa" 90.08 1411 100.00 100.00 2.32e-72
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P021030-35
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.17 mM '[U-13C; U-15N]'
PiNa 20 mM .
NaCl 100 mM .
DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.8992
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 1.0.7
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 6.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'Regulating synaptic membrane exocytosis protein 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 2 2 SER HA H 4.565 0.030 1
2 2 2 SER HB2 H 3.901 0.030 1
3 2 2 SER HB3 H 3.901 0.030 1
4 2 2 SER C C 174.787 0.300 1
5 2 2 SER CA C 58.345 0.300 1
6 2 2 SER CB C 64.010 0.300 1
7 3 3 SER H H 8.585 0.030 1
8 3 3 SER HA H 4.504 0.030 1
9 3 3 SER HB2 H 3.906 0.030 1
10 3 3 SER HB3 H 3.906 0.030 1
11 3 3 SER C C 175.096 0.300 1
12 3 3 SER CA C 58.624 0.300 1
13 3 3 SER CB C 63.852 0.300 1
14 3 3 SER N N 118.136 0.300 1
15 4 4 GLY H H 8.479 0.030 1
16 4 4 GLY HA2 H 4.015 0.030 1
17 4 4 GLY HA3 H 4.015 0.030 1
18 4 4 GLY C C 174.369 0.300 1
19 4 4 GLY CA C 45.460 0.300 1
20 4 4 GLY N N 110.916 0.300 1
21 5 5 SER H H 8.290 0.030 1
22 5 5 SER HA H 4.496 0.030 1
23 5 5 SER HB2 H 3.892 0.030 1
24 5 5 SER HB3 H 3.892 0.030 1
25 5 5 SER C C 174.887 0.300 1
26 5 5 SER CA C 58.361 0.300 1
27 5 5 SER CB C 63.906 0.300 1
28 5 5 SER N N 115.761 0.300 1
29 6 6 SER H H 8.433 0.030 1
30 6 6 SER HA H 4.467 0.030 1
31 6 6 SER HB2 H 3.890 0.030 1
32 6 6 SER HB3 H 3.890 0.030 1
33 6 6 SER C C 175.047 0.300 1
34 6 6 SER CA C 58.644 0.300 1
35 6 6 SER CB C 63.875 0.300 1
36 6 6 SER N N 117.855 0.300 1
37 7 7 GLY H H 8.384 0.030 1
38 7 7 GLY HA2 H 3.913 0.030 1
39 7 7 GLY HA3 H 3.913 0.030 1
40 7 7 GLY C C 173.957 0.300 1
41 7 7 GLY CA C 45.408 0.300 1
42 7 7 GLY N N 110.377 0.300 1
43 8 8 HIS H H 8.251 0.030 1
44 8 8 HIS HA H 4.702 0.030 1
45 8 8 HIS HB2 H 3.184 0.030 2
46 8 8 HIS HB3 H 3.070 0.030 2
47 8 8 HIS HD2 H 7.117 0.030 1
48 8 8 HIS C C 174.970 0.300 1
49 8 8 HIS CA C 55.565 0.300 1
50 8 8 HIS CB C 29.947 0.300 1
51 8 8 HIS CD2 C 120.034 0.300 1
52 8 8 HIS N N 118.576 0.300 1
53 9 9 SER H H 8.407 0.030 1
54 9 9 SER HA H 4.408 0.030 1
55 9 9 SER HB2 H 3.845 0.030 2
56 9 9 SER HB3 H 3.775 0.030 2
57 9 9 SER C C 174.453 0.300 1
58 9 9 SER CA C 58.468 0.300 1
59 9 9 SER CB C 63.860 0.300 1
60 9 9 SER N N 117.100 0.300 1
61 10 10 HIS HA H 4.691 0.030 1
62 10 10 HIS HB2 H 3.217 0.030 2
63 10 10 HIS HB3 H 3.132 0.030 2
64 10 10 HIS HD2 H 7.146 0.030 1
65 10 10 HIS C C 174.982 0.300 1
66 10 10 HIS CA C 56.160 0.300 1
67 10 10 HIS CB C 29.870 0.300 1
68 10 10 HIS CD2 C 120.109 0.300 1
69 11 11 SER H H 8.300 0.030 1
70 11 11 SER HA H 4.406 0.030 1
71 11 11 SER HB2 H 3.842 0.030 1
72 11 11 SER HB3 H 3.842 0.030 1
73 11 11 SER C C 174.215 0.300 1
74 11 11 SER CA C 58.373 0.300 1
75 11 11 SER CB C 63.906 0.300 1
76 11 11 SER N N 116.746 0.300 1
77 12 12 ASP H H 8.407 0.030 1
78 12 12 ASP HA H 4.527 0.030 1
79 12 12 ASP HB2 H 2.620 0.030 1
80 12 12 ASP HB3 H 2.620 0.030 1
81 12 12 ASP C C 176.095 0.300 1
82 12 12 ASP CA C 54.546 0.300 1
83 12 12 ASP CB C 41.045 0.300 1
84 12 12 ASP N N 122.641 0.300 1
85 13 13 LYS H H 8.084 0.030 1
86 13 13 LYS HA H 4.196 0.030 1
87 13 13 LYS HB2 H 1.680 0.030 2
88 13 13 LYS HB3 H 1.617 0.030 2
89 13 13 LYS HG2 H 1.351 0.030 2
90 13 13 LYS HG3 H 1.291 0.030 2
91 13 13 LYS HD2 H 1.600 0.030 1
92 13 13 LYS HD3 H 1.600 0.030 1
93 13 13 LYS HE2 H 2.937 0.030 1
94 13 13 LYS HE3 H 2.937 0.030 1
95 13 13 LYS C C 176.144 0.300 1
96 13 13 LYS CA C 56.182 0.300 1
97 13 13 LYS CB C 32.951 0.300 1
98 13 13 LYS CG C 24.730 0.300 1
99 13 13 LYS CD C 28.890 0.300 1
100 13 13 LYS CE C 42.144 0.300 1
101 13 13 LYS N N 120.314 0.300 1
102 14 14 HIS H H 8.336 0.030 1
103 14 14 HIS HA H 4.949 0.030 1
104 14 14 HIS HB2 H 3.169 0.030 2
105 14 14 HIS HB3 H 3.041 0.030 2
106 14 14 HIS HD2 H 7.194 0.030 1
107 14 14 HIS C C 173.008 0.300 1
108 14 14 HIS CA C 53.567 0.300 1
109 14 14 HIS CB C 29.416 0.300 1
110 14 14 HIS CD2 C 120.443 0.300 1
111 14 14 HIS N N 119.904 0.300 1
112 15 15 PRO HA H 4.470 0.030 1
113 15 15 PRO HB2 H 2.286 0.030 2
114 15 15 PRO HB3 H 2.073 0.030 2
115 15 15 PRO HG2 H 2.004 0.030 1
116 15 15 PRO HG3 H 2.004 0.030 1
117 15 15 PRO HD2 H 3.663 0.030 2
118 15 15 PRO HD3 H 3.626 0.030 2
119 15 15 PRO C C 175.985 0.300 1
120 15 15 PRO CA C 64.070 0.300 1
121 15 15 PRO CB C 32.294 0.300 1
122 15 15 PRO CG C 27.291 0.300 1
123 15 15 PRO CD C 50.650 0.300 1
124 16 16 VAL H H 7.969 0.030 1
125 16 16 VAL HA H 4.539 0.030 1
126 16 16 VAL HB H 2.010 0.030 1
127 16 16 VAL HG1 H 0.971 0.030 1
128 16 16 VAL HG2 H 0.831 0.030 1
129 16 16 VAL C C 175.971 0.300 1
130 16 16 VAL CA C 61.903 0.300 1
131 16 16 VAL CB C 34.165 0.300 1
132 16 16 VAL CG1 C 21.659 0.300 2
133 16 16 VAL CG2 C 21.166 0.300 2
134 16 16 VAL N N 119.179 0.300 1
135 17 17 THR H H 8.260 0.030 1
136 17 17 THR HA H 4.530 0.030 1
137 17 17 THR HB H 4.054 0.030 1
138 17 17 THR HG2 H 1.141 0.030 1
139 17 17 THR C C 172.839 0.300 1
140 17 17 THR CA C 61.516 0.300 1
141 17 17 THR CB C 71.173 0.300 1
142 17 17 THR CG2 C 21.642 0.300 1
143 17 17 THR N N 120.522 0.300 1
144 18 18 TRP H H 8.583 0.030 1
145 18 18 TRP HA H 5.242 0.030 1
146 18 18 TRP HB2 H 2.984 0.030 1
147 18 18 TRP HB3 H 2.984 0.030 1
148 18 18 TRP HD1 H 7.169 0.030 1
149 18 18 TRP HE1 H 10.043 0.030 1
150 18 18 TRP HE3 H 7.139 0.030 1
151 18 18 TRP HZ2 H 7.314 0.030 1
152 18 18 TRP HZ3 H 6.776 0.030 1
153 18 18 TRP HH2 H 6.856 0.030 1
154 18 18 TRP C C 175.998 0.300 1
155 18 18 TRP CA C 56.130 0.300 1
156 18 18 TRP CB C 31.557 0.300 1
157 18 18 TRP CD1 C 127.062 0.300 1
158 18 18 TRP CE3 C 119.855 0.300 1
159 18 18 TRP CZ2 C 114.060 0.300 1
160 18 18 TRP CZ3 C 121.276 0.300 1
161 18 18 TRP CH2 C 124.011 0.300 1
162 18 18 TRP N N 124.515 0.300 1
163 18 18 TRP NE1 N 129.119 0.300 1
164 19 19 GLN H H 9.219 0.030 1
165 19 19 GLN HA H 5.055 0.030 1
166 19 19 GLN HB2 H 2.135 0.030 2
167 19 19 GLN HB3 H 2.004 0.030 2
168 19 19 GLN HG2 H 2.391 0.030 2
169 19 19 GLN HG3 H 2.331 0.030 2
170 19 19 GLN HE21 H 7.473 0.030 2
171 19 19 GLN HE22 H 6.863 0.030 2
172 19 19 GLN C C 173.008 0.300 1
173 19 19 GLN CA C 52.878 0.300 1
174 19 19 GLN CB C 31.557 0.300 1
175 19 19 GLN CG C 33.327 0.300 1
176 19 19 GLN N N 121.854 0.300 1
177 19 19 GLN NE2 N 111.944 0.300 1
178 20 20 PRO HA H 4.991 0.030 1
179 20 20 PRO HB2 H 2.391 0.030 2
180 20 20 PRO HB3 H 2.076 0.030 2
181 20 20 PRO HG2 H 2.163 0.030 2
182 20 20 PRO HG3 H 2.024 0.030 2
183 20 20 PRO HD2 H 3.857 0.030 2
184 20 20 PRO HD3 H 3.776 0.030 2
185 20 20 PRO C C 177.544 0.300 1
186 20 20 PRO CA C 62.909 0.300 1
187 20 20 PRO CB C 32.294 0.300 1
188 20 20 PRO CG C 27.636 0.300 1
189 20 20 PRO CD C 50.745 0.300 1
190 21 21 SER H H 8.688 0.030 1
191 21 21 SER HA H 4.431 0.030 1
192 21 21 SER HB2 H 4.306 0.030 2
193 21 21 SER HB3 H 3.795 0.030 2
194 21 21 SER C C 175.690 0.300 1
195 21 21 SER CA C 57.759 0.300 1
196 21 21 SER CB C 64.430 0.300 1
197 21 21 SER N N 117.174 0.300 1
198 22 22 LYS H H 8.910 0.030 1
199 22 22 LYS HA H 4.111 0.030 1
200 22 22 LYS HB2 H 1.896 0.030 2
201 22 22 LYS HB3 H 1.844 0.030 2
202 22 22 LYS HG2 H 1.490 0.030 2
203 22 22 LYS HG3 H 1.465 0.030 2
204 22 22 LYS HD2 H 1.693 0.030 1
205 22 22 LYS HD3 H 1.693 0.030 1
206 22 22 LYS HE2 H 3.012 0.030 1
207 22 22 LYS HE3 H 3.012 0.030 1
208 22 22 LYS C C 177.409 0.300 1
209 22 22 LYS CA C 59.081 0.300 1
210 22 22 LYS CB C 32.138 0.300 1
211 22 22 LYS CG C 24.586 0.300 1
212 22 22 LYS CD C 29.098 0.300 1
213 22 22 LYS CE C 42.163 0.300 1
214 22 22 LYS N N 123.193 0.300 1
215 23 23 ASP H H 8.141 0.030 1
216 23 23 ASP HA H 4.683 0.030 1
217 23 23 ASP HB2 H 2.720 0.030 1
218 23 23 ASP HB3 H 2.720 0.030 1
219 23 23 ASP C C 176.934 0.300 1
220 23 23 ASP CA C 54.172 0.300 1
221 23 23 ASP CB C 41.289 0.300 1
222 23 23 ASP N N 115.424 0.300 1
223 24 24 GLY H H 7.997 0.030 1
224 24 24 GLY HA2 H 4.144 0.030 2
225 24 24 GLY HA3 H 3.724 0.030 2
226 24 24 GLY C C 173.852 0.300 1
227 24 24 GLY CA C 45.910 0.300 1
228 24 24 GLY N N 108.706 0.300 1
229 25 25 ASP H H 8.421 0.030 1
230 25 25 ASP HA H 4.613 0.030 1
231 25 25 ASP HB2 H 2.721 0.030 2
232 25 25 ASP HB3 H 2.674 0.030 2
233 25 25 ASP C C 175.739 0.300 1
234 25 25 ASP CA C 54.520 0.300 1
235 25 25 ASP CB C 40.886 0.300 1
236 25 25 ASP N N 118.220 0.300 1
237 26 26 ARG H H 7.828 0.030 1
238 26 26 ARG HA H 4.895 0.030 1
239 26 26 ARG HB2 H 1.911 0.030 2
240 26 26 ARG HB3 H 1.649 0.030 2
241 26 26 ARG HG2 H 1.562 0.030 1
242 26 26 ARG HG3 H 1.562 0.030 1
243 26 26 ARG HD2 H 3.180 0.030 2
244 26 26 ARG HD3 H 3.116 0.030 2
245 26 26 ARG HE H 7.192 0.030 1
246 26 26 ARG C C 174.774 0.300 1
247 26 26 ARG CA C 54.407 0.300 1
248 26 26 ARG CB C 33.541 0.300 1
249 26 26 ARG CG C 27.120 0.300 1
250 26 26 ARG CD C 43.300 0.300 1
251 26 26 ARG N N 118.189 0.300 1
252 26 26 ARG NE N 84.888 0.300 1
253 27 27 LEU H H 9.009 0.030 1
254 27 27 LEU HA H 4.882 0.030 1
255 27 27 LEU HB2 H 1.638 0.030 1
256 27 27 LEU HB3 H 1.638 0.030 1
257 27 27 LEU HG H 1.624 0.030 1
258 27 27 LEU HD1 H 0.695 0.030 1
259 27 27 LEU HD2 H 0.733 0.030 1
260 27 27 LEU C C 175.186 0.300 1
261 27 27 LEU CA C 54.166 0.300 1
262 27 27 LEU CB C 45.547 0.300 1
263 27 27 LEU CG C 27.214 0.300 1
264 27 27 LEU CD1 C 24.910 0.300 2
265 27 27 LEU CD2 C 23.916 0.300 2
266 27 27 LEU N N 123.017 0.300 1
267 28 28 ILE H H 9.188 0.030 1
268 28 28 ILE HA H 5.293 0.030 1
269 28 28 ILE HB H 1.953 0.030 1
270 28 28 ILE HG12 H 1.431 0.030 2
271 28 28 ILE HG13 H 1.305 0.030 2
272 28 28 ILE HG2 H 0.761 0.030 1
273 28 28 ILE HD1 H 0.785 0.030 1
274 28 28 ILE C C 176.305 0.300 1
275 28 28 ILE CA C 58.617 0.300 1
276 28 28 ILE CB C 38.312 0.300 1
277 28 28 ILE CG1 C 27.141 0.300 1
278 28 28 ILE CG2 C 17.293 0.300 1
279 28 28 ILE CD1 C 11.207 0.300 1
280 28 28 ILE N N 123.366 0.300 1
281 29 29 GLY H H 9.226 0.030 1
282 29 29 GLY HA2 H 4.366 0.030 2
283 29 29 GLY HA3 H 1.502 0.030 2
284 29 29 GLY C C 171.224 0.300 1
285 29 29 GLY CA C 43.437 0.300 1
286 29 29 GLY N N 119.066 0.300 1
287 30 30 ARG H H 8.189 0.030 1
288 30 30 ARG HA H 4.912 0.030 1
289 30 30 ARG HB2 H 1.619 0.030 2
290 30 30 ARG HB3 H 1.505 0.030 2
291 30 30 ARG HG2 H 1.396 0.030 2
292 30 30 ARG HG3 H 1.235 0.030 2
293 30 30 ARG HD2 H 3.087 0.030 2
294 30 30 ARG HD3 H 2.974 0.030 2
295 30 30 ARG HE H 7.239 0.030 1
296 30 30 ARG C C 174.837 0.300 1
297 30 30 ARG CA C 55.371 0.300 1
298 30 30 ARG CB C 31.121 0.300 1
299 30 30 ARG CG C 28.017 0.300 1
300 30 30 ARG CD C 42.989 0.300 1
301 30 30 ARG N N 124.199 0.300 1
302 30 30 ARG NE N 83.551 0.300 1
303 31 31 ILE H H 8.825 0.030 1
304 31 31 ILE HA H 4.459 0.030 1
305 31 31 ILE HB H 1.657 0.030 1
306 31 31 ILE HG12 H 1.137 0.030 1
307 31 31 ILE HG13 H 1.137 0.030 1
308 31 31 ILE HG2 H 0.703 0.030 1
309 31 31 ILE HD1 H 0.535 0.030 1
310 31 31 ILE C C 173.020 0.300 1
311 31 31 ILE CA C 59.571 0.300 1
312 31 31 ILE CB C 41.588 0.300 1
313 31 31 ILE CG1 C 28.314 0.300 1
314 31 31 ILE CG2 C 18.965 0.300 1
315 31 31 ILE CD1 C 14.110 0.300 1
316 31 31 ILE N N 126.589 0.300 1
317 32 32 LEU H H 8.430 0.030 1
318 32 32 LEU HA H 4.808 0.030 1
319 32 32 LEU HB2 H 1.661 0.030 2
320 32 32 LEU HB3 H 1.356 0.030 2
321 32 32 LEU HG H 1.232 0.030 1
322 32 32 LEU HD1 H 0.683 0.030 1
323 32 32 LEU HD2 H 0.649 0.030 1
324 32 32 LEU C C 175.173 0.300 1
325 32 32 LEU CA C 53.836 0.300 1
326 32 32 LEU CB C 43.456 0.300 1
327 32 32 LEU CG C 27.762 0.300 1
328 32 32 LEU CD1 C 24.932 0.300 2
329 32 32 LEU CD2 C 24.062 0.300 2
330 32 32 LEU N N 129.511 0.300 1
331 33 33 LEU H H 8.866 0.030 1
332 33 33 LEU HA H 4.556 0.030 1
333 33 33 LEU HB2 H 1.732 0.030 2
334 33 33 LEU HB3 H 0.942 0.030 2
335 33 33 LEU HG H 1.365 0.030 1
336 33 33 LEU HD1 H 0.587 0.030 1
337 33 33 LEU HD2 H 0.554 0.030 1
338 33 33 LEU C C 174.166 0.300 1
339 33 33 LEU CA C 52.819 0.300 1
340 33 33 LEU CB C 42.291 0.300 1
341 33 33 LEU CG C 26.273 0.300 1
342 33 33 LEU CD1 C 26.171 0.300 2
343 33 33 LEU CD2 C 23.611 0.300 2
344 33 33 LEU N N 124.984 0.300 1
345 34 34 ASN H H 8.976 0.030 1
346 34 34 ASN HA H 4.685 0.030 1
347 34 34 ASN HB2 H 2.976 0.030 2
348 34 34 ASN HB3 H 2.634 0.030 2
349 34 34 ASN HD21 H 7.561 0.030 2
350 34 34 ASN HD22 H 6.886 0.030 2
351 34 34 ASN C C 175.151 0.300 1
352 34 34 ASN CA C 52.858 0.300 1
353 34 34 ASN CB C 39.330 0.300 1
354 34 34 ASN N N 123.766 0.300 1
355 34 34 ASN ND2 N 111.702 0.300 1
356 35 35 LYS H H 8.572 0.030 1
357 35 35 LYS HA H 4.083 0.030 1
358 35 35 LYS HB2 H 2.076 0.030 2
359 35 35 LYS HB3 H 1.498 0.030 2
360 35 35 LYS HG2 H 1.271 0.030 2
361 35 35 LYS HG3 H 1.239 0.030 2
362 35 35 LYS HD2 H 1.776 0.030 2
363 35 35 LYS HD3 H 1.539 0.030 2
364 35 35 LYS HE2 H 2.868 0.030 2
365 35 35 LYS HE3 H 2.722 0.030 2
366 35 35 LYS C C 175.571 0.300 1
367 35 35 LYS CA C 56.750 0.300 1
368 35 35 LYS CB C 33.448 0.300 1
369 35 35 LYS CG C 25.104 0.300 1
370 35 35 LYS CD C 30.315 0.300 1
371 35 35 LYS CE C 42.144 0.300 1
372 35 35 LYS N N 123.569 0.300 1
373 36 36 ARG H H 7.740 0.030 1
374 36 36 ARG HA H 4.365 0.030 1
375 36 36 ARG HB2 H 1.745 0.030 2
376 36 36 ARG HB3 H 1.717 0.030 2
377 36 36 ARG HG2 H 1.749 0.030 2
378 36 36 ARG HG3 H 1.540 0.030 2
379 36 36 ARG HD2 H 3.203 0.030 2
380 36 36 ARG HD3 H 3.173 0.030 2
381 36 36 ARG HE H 7.367 0.030 1
382 36 36 ARG C C 177.548 0.300 1
383 36 36 ARG CA C 56.337 0.300 1
384 36 36 ARG CB C 31.424 0.300 1
385 36 36 ARG CG C 27.895 0.300 1
386 36 36 ARG CD C 43.843 0.300 1
387 36 36 ARG N N 116.668 0.300 1
388 36 36 ARG NE N 85.109 0.300 1
389 37 37 LEU H H 8.684 0.030 1
390 37 37 LEU HA H 4.447 0.030 1
391 37 37 LEU HB2 H 1.873 0.030 2
392 37 37 LEU HB3 H 1.625 0.030 2
393 37 37 LEU HG H 1.641 0.030 1
394 37 37 LEU HD1 H 0.879 0.030 1
395 37 37 LEU HD2 H 0.854 0.030 1
396 37 37 LEU C C 179.212 0.300 1
397 37 37 LEU CA C 54.210 0.300 1
398 37 37 LEU CB C 42.147 0.300 1
399 37 37 LEU CG C 27.322 0.300 1
400 37 37 LEU CD1 C 25.361 0.300 2
401 37 37 LEU CD2 C 22.506 0.300 2
402 37 37 LEU N N 122.322 0.300 1
403 38 38 LYS H H 8.567 0.030 1
404 38 38 LYS HA H 4.106 0.030 1
405 38 38 LYS HB2 H 1.835 0.030 1
406 38 38 LYS HB3 H 1.835 0.030 1
407 38 38 LYS HG2 H 1.468 0.030 1
408 38 38 LYS HG3 H 1.468 0.030 1
409 38 38 LYS HD2 H 1.695 0.030 1
410 38 38 LYS HD3 H 1.695 0.030 1
411 38 38 LYS HE2 H 2.994 0.030 1
412 38 38 LYS HE3 H 2.994 0.030 1
413 38 38 LYS C C 176.857 0.300 1
414 38 38 LYS CA C 58.519 0.300 1
415 38 38 LYS CB C 32.325 0.300 1
416 38 38 LYS CG C 24.790 0.300 1
417 38 38 LYS CD C 29.126 0.300 1
418 38 38 LYS CE C 42.139 0.300 1
419 38 38 LYS N N 121.541 0.300 1
420 39 39 ASP H H 7.894 0.030 1
421 39 39 ASP HA H 4.506 0.030 1
422 39 39 ASP HB2 H 2.985 0.030 2
423 39 39 ASP HB3 H 2.621 0.030 2
424 39 39 ASP C C 176.983 0.300 1
425 39 39 ASP CA C 53.721 0.300 1
426 39 39 ASP CB C 40.184 0.300 1
427 39 39 ASP N N 117.058 0.300 1
428 40 40 GLY H H 8.329 0.030 1
429 40 40 GLY HA2 H 4.296 0.030 2
430 40 40 GLY HA3 H 3.659 0.030 2
431 40 40 GLY C C 173.908 0.300 1
432 40 40 GLY CA C 45.344 0.300 1
433 40 40 GLY N N 108.849 0.300 1
434 41 41 SER H H 8.231 0.030 1
435 41 41 SER HA H 4.409 0.030 1
436 41 41 SER HB2 H 3.838 0.030 1
437 41 41 SER HB3 H 3.838 0.030 1
438 41 41 SER C C 172.678 0.300 1
439 41 41 SER CA C 58.606 0.300 1
440 41 41 SER CB C 64.455 0.300 1
441 41 41 SER N N 117.295 0.300 1
442 42 42 VAL H H 8.278 0.030 1
443 42 42 VAL HA H 4.574 0.030 1
444 42 42 VAL HB H 2.010 0.030 1
445 42 42 VAL HG1 H 0.937 0.030 1
446 42 42 VAL HG2 H 0.903 0.030 1
447 42 42 VAL C C 174.818 0.300 1
448 42 42 VAL CA C 59.485 0.300 1
449 42 42 VAL CB C 33.233 0.300 1
450 42 42 VAL CG1 C 21.045 0.300 2
451 42 42 VAL CG2 C 21.455 0.300 2
452 42 42 VAL N N 120.288 0.300 1
453 43 43 PRO HA H 4.435 0.030 1
454 43 43 PRO HB2 H 2.325 0.030 2
455 43 43 PRO HB3 H 1.880 0.030 2
456 43 43 PRO HG2 H 2.003 0.030 1
457 43 43 PRO HG3 H 2.003 0.030 1
458 43 43 PRO HD2 H 3.949 0.030 2
459 43 43 PRO HD3 H 3.728 0.030 2
460 43 43 PRO C C 176.723 0.300 1
461 43 43 PRO CA C 62.922 0.300 1
462 43 43 PRO CB C 32.529 0.300 1
463 43 43 PRO CG C 27.613 0.300 1
464 43 43 PRO CD C 51.508 0.300 1
465 44 44 ARG H H 8.572 0.030 1
466 44 44 ARG HA H 4.206 0.030 1
467 44 44 ARG HB2 H 1.858 0.030 2
468 44 44 ARG HB3 H 1.814 0.030 2
469 44 44 ARG HG2 H 1.727 0.030 2
470 44 44 ARG HG3 H 1.669 0.030 2
471 44 44 ARG HD2 H 3.230 0.030 1
472 44 44 ARG HD3 H 3.230 0.030 1
473 44 44 ARG HE H 7.242 0.030 1
474 44 44 ARG C C 176.619 0.300 1
475 44 44 ARG CA C 57.330 0.300 1
476 44 44 ARG CB C 30.420 0.300 1
477 44 44 ARG CG C 27.248 0.300 1
478 44 44 ARG CD C 43.327 0.300 1
479 44 44 ARG N N 121.500 0.300 1
480 44 44 ARG NE N 84.707 0.300 1
481 45 45 ASP H H 8.289 0.030 1
482 45 45 ASP HA H 4.751 0.030 1
483 45 45 ASP HB2 H 2.778 0.030 2
484 45 45 ASP HB3 H 2.706 0.030 2
485 45 45 ASP C C 176.640 0.300 1
486 45 45 ASP CA C 53.465 0.300 1
487 45 45 ASP CB C 40.805 0.300 1
488 45 45 ASP N N 118.637 0.300 1
489 46 46 SER H H 8.232 0.030 1
490 46 46 SER HA H 4.264 0.030 1
491 46 46 SER HB2 H 3.956 0.030 1
492 46 46 SER HB3 H 3.956 0.030 1
493 46 46 SER C C 175.906 0.300 1
494 46 46 SER CA C 60.180 0.300 1
495 46 46 SER CB C 63.397 0.300 1
496 46 46 SER N N 116.708 0.300 1
497 47 47 GLY H H 8.730 0.030 1
498 47 47 GLY HA2 H 4.055 0.030 2
499 47 47 GLY HA3 H 3.965 0.030 2
500 47 47 GLY C C 175.802 0.300 1
501 47 47 GLY CA C 46.706 0.300 1
502 47 47 GLY N N 111.172 0.300 1
503 48 48 ALA H H 8.214 0.030 1
504 48 48 ALA HA H 4.280 0.030 1
505 48 48 ALA HB H 1.428 0.030 1
506 48 48 ALA C C 178.751 0.300 1
507 48 48 ALA CA C 53.903 0.300 1
508 48 48 ALA CB C 18.962 0.300 1
509 48 48 ALA N N 124.475 0.300 1
510 49 49 MET H H 7.990 0.030 1
511 49 49 MET HA H 4.354 0.030 1
512 49 49 MET HB2 H 2.231 0.030 2
513 49 49 MET HB3 H 2.167 0.030 2
514 49 49 MET HG2 H 2.636 0.030 2
515 49 49 MET HG3 H 2.530 0.030 2
516 49 49 MET HE H 2.085 0.030 1
517 49 49 MET C C 177.231 0.300 1
518 49 49 MET CA C 57.032 0.300 1
519 49 49 MET CB C 32.919 0.300 1
520 49 49 MET CG C 32.447 0.300 1
521 49 49 MET CE C 17.388 0.300 1
522 49 49 MET N N 116.154 0.300 1
523 50 50 LEU H H 8.098 0.030 1
524 50 50 LEU HA H 4.098 0.030 1
525 50 50 LEU HB2 H 2.050 0.030 2
526 50 50 LEU HB3 H 1.552 0.030 2
527 50 50 LEU HG H 1.745 0.030 1
528 50 50 LEU HD1 H 0.875 0.030 1
529 50 50 LEU HD2 H 0.821 0.030 1
530 50 50 LEU C C 176.834 0.300 1
531 50 50 LEU CA C 57.657 0.300 1
532 50 50 LEU CB C 42.021 0.300 1
533 50 50 LEU CG C 27.065 0.300 1
534 50 50 LEU CD1 C 26.072 0.300 2
535 50 50 LEU CD2 C 24.325 0.300 2
536 50 50 LEU N N 116.980 0.300 1
537 51 51 GLY H H 7.924 0.030 1
538 51 51 GLY HA2 H 4.742 0.030 2
539 51 51 GLY HA3 H 3.696 0.030 2
540 51 51 GLY C C 174.383 0.300 1
541 51 51 GLY CA C 45.610 0.300 1
542 51 51 GLY N N 102.006 0.300 1
543 52 52 LEU H H 7.588 0.030 1
544 52 52 LEU HA H 5.171 0.030 1
545 52 52 LEU HB2 H 1.837 0.030 2
546 52 52 LEU HB3 H 1.321 0.030 2
547 52 52 LEU HG H 1.606 0.030 1
548 52 52 LEU HD1 H 0.899 0.030 1
549 52 52 LEU HD2 H 0.853 0.030 1
550 52 52 LEU C C 175.962 0.300 1
551 52 52 LEU CA C 53.669 0.300 1
552 52 52 LEU CB C 46.030 0.300 1
553 52 52 LEU CG C 26.871 0.300 1
554 52 52 LEU CD1 C 26.081 0.300 2
555 52 52 LEU CD2 C 25.742 0.300 2
556 52 52 LEU N N 118.065 0.300 1
557 53 53 LYS H H 8.065 0.030 1
558 53 53 LYS HA H 4.663 0.030 1
559 53 53 LYS HB2 H 1.832 0.030 2
560 53 53 LYS HB3 H 1.663 0.030 2
561 53 53 LYS HG2 H 1.375 0.030 2
562 53 53 LYS HG3 H 1.283 0.030 2
563 53 53 LYS HD2 H 1.649 0.030 1
564 53 53 LYS HD3 H 1.649 0.030 1
565 53 53 LYS HE2 H 2.964 0.030 2
566 53 53 LYS HE3 H 2.939 0.030 2
567 53 53 LYS C C 174.677 0.300 1
568 53 53 LYS CA C 56.028 0.300 1
569 53 53 LYS CB C 34.958 0.300 1
570 53 53 LYS CG C 25.264 0.300 1
571 53 53 LYS CD C 29.092 0.300 1
572 53 53 LYS CE C 42.368 0.300 1
573 53 53 LYS N N 121.984 0.300 1
574 54 54 VAL H H 8.611 0.030 1
575 54 54 VAL HA H 4.800 0.030 1
576 54 54 VAL HB H 1.583 0.030 1
577 54 54 VAL HG1 H 0.868 0.030 1
578 54 54 VAL HG2 H 0.496 0.030 1
579 54 54 VAL C C 174.613 0.300 1
580 54 54 VAL CA C 60.590 0.300 1
581 54 54 VAL CB C 34.683 0.300 1
582 54 54 VAL CG1 C 22.452 0.300 2
583 54 54 VAL CG2 C 21.053 0.300 2
584 54 54 VAL N N 126.652 0.300 1
585 55 55 VAL H H 8.964 0.030 1
586 55 55 VAL HA H 4.262 0.030 1
587 55 55 VAL HB H 2.103 0.030 1
588 55 55 VAL HG1 H 1.117 0.030 1
589 55 55 VAL HG2 H 1.256 0.030 1
590 55 55 VAL C C 175.173 0.300 1
591 55 55 VAL CA C 62.061 0.300 1
592 55 55 VAL CB C 34.091 0.300 1
593 55 55 VAL CG1 C 22.024 0.300 2
594 55 55 VAL CG2 C 21.651 0.300 2
595 55 55 VAL N N 126.827 0.300 1
596 56 56 GLY H H 8.945 0.030 1
597 56 56 GLY HA2 H 4.749 0.030 2
598 56 56 GLY HA3 H 3.315 0.030 2
599 56 56 GLY C C 172.893 0.300 1
600 56 56 GLY CA C 43.233 0.300 1
601 56 56 GLY N N 113.582 0.300 1
602 57 57 GLY H H 8.416 0.030 1
603 57 57 GLY HA2 H 4.049 0.030 2
604 57 57 GLY HA3 H 3.885 0.030 2
605 57 57 GLY C C 174.216 0.300 1
606 57 57 GLY CA C 47.406 0.300 1
607 57 57 GLY N N 106.453 0.300 1
608 58 58 LYS H H 9.121 0.030 1
609 58 58 LYS HA H 4.409 0.030 1
610 58 58 LYS HB2 H 2.095 0.030 2
611 58 58 LYS HB3 H 1.992 0.030 2
612 58 58 LYS HG2 H 1.522 0.030 2
613 58 58 LYS HG3 H 1.408 0.030 2
614 58 58 LYS HD2 H 1.715 0.030 2
615 58 58 LYS HD3 H 1.625 0.030 2
616 58 58 LYS HE2 H 2.896 0.030 1
617 58 58 LYS HE3 H 2.896 0.030 1
618 58 58 LYS C C 176.102 0.300 1
619 58 58 LYS CA C 55.653 0.300 1
620 58 58 LYS CB C 32.605 0.300 1
621 58 58 LYS CG C 24.893 0.300 1
622 58 58 LYS CD C 29.099 0.300 1
623 58 58 LYS CE C 42.087 0.300 1
624 58 58 LYS N N 122.279 0.300 1
625 59 59 MET H H 8.739 0.030 1
626 59 59 MET HA H 4.744 0.030 1
627 59 59 MET HB2 H 2.020 0.030 1
628 59 59 MET HB3 H 2.020 0.030 1
629 59 59 MET HG2 H 2.685 0.030 2
630 59 59 MET HG3 H 2.413 0.030 2
631 59 59 MET HE H 2.033 0.030 1
632 59 59 MET C C 176.598 0.300 1
633 59 59 MET CA C 55.641 0.300 1
634 59 59 MET CB C 31.275 0.300 1
635 59 59 MET CG C 31.645 0.300 1
636 59 59 MET CE C 16.351 0.300 1
637 59 59 MET N N 126.166 0.300 1
638 60 60 THR H H 7.983 0.030 1
639 60 60 THR HA H 4.817 0.030 1
640 60 60 THR HB H 4.718 0.030 1
641 60 60 THR HG2 H 1.584 0.030 1
642 60 60 THR C C 176.745 0.300 1
643 60 60 THR CA C 60.599 0.300 1
644 60 60 THR CB C 72.532 0.300 1
645 60 60 THR CG2 C 22.644 0.300 1
646 60 60 THR N N 117.318 0.300 1
647 61 61 GLU H H 9.303 0.030 1
648 61 61 GLU HA H 4.101 0.030 1
649 61 61 GLU HB2 H 2.118 0.030 1
650 61 61 GLU HB3 H 2.118 0.030 1
651 61 61 GLU HG2 H 2.382 0.030 1
652 61 61 GLU HG3 H 2.382 0.030 1
653 61 61 GLU C C 177.332 0.300 1
654 61 61 GLU CA C 59.288 0.300 1
655 61 61 GLU CB C 29.173 0.300 1
656 61 61 GLU CG C 36.359 0.300 1
657 61 61 GLU N N 121.895 0.300 1
658 62 62 SER H H 8.018 0.030 1
659 62 62 SER HA H 4.385 0.030 1
660 62 62 SER HB2 H 4.004 0.030 2
661 62 62 SER HB3 H 3.977 0.030 2
662 62 62 SER C C 175.397 0.300 1
663 62 62 SER CA C 58.941 0.300 1
664 62 62 SER CB C 64.014 0.300 1
665 62 62 SER N N 111.919 0.300 1
666 63 63 GLY H H 8.195 0.030 1
667 63 63 GLY HA2 H 4.290 0.030 2
668 63 63 GLY HA3 H 3.838 0.030 2
669 63 63 GLY C C 173.384 0.300 1
670 63 63 GLY CA C 45.499 0.300 1
671 63 63 GLY N N 110.422 0.300 1
672 64 64 ARG H H 7.178 0.030 1
673 64 64 ARG HA H 4.485 0.030 1
674 64 64 ARG HB2 H 1.634 0.030 2
675 64 64 ARG HB3 H 1.507 0.030 2
676 64 64 ARG HG2 H 1.511 0.030 1
677 64 64 ARG HG3 H 1.511 0.030 1
678 64 64 ARG HD2 H 3.065 0.030 2
679 64 64 ARG HD3 H 3.023 0.030 2
680 64 64 ARG HE H 7.020 0.030 1
681 64 64 ARG C C 175.837 0.300 1
682 64 64 ARG CA C 54.718 0.300 1
683 64 64 ARG CB C 31.977 0.300 1
684 64 64 ARG CG C 27.143 0.300 1
685 64 64 ARG CD C 43.408 0.300 1
686 64 64 ARG N N 119.155 0.300 1
687 64 64 ARG NE N 84.295 0.300 1
688 65 65 LEU H H 8.556 0.030 1
689 65 65 LEU HA H 4.692 0.030 1
690 65 65 LEU HB2 H 1.503 0.030 2
691 65 65 LEU HB3 H 1.161 0.030 2
692 65 65 LEU HG H 1.672 0.030 1
693 65 65 LEU HD1 H 0.768 0.030 1
694 65 65 LEU HD2 H 0.726 0.030 1
695 65 65 LEU C C 176.647 0.300 1
696 65 65 LEU CA C 54.509 0.300 1
697 65 65 LEU CB C 42.764 0.300 1
698 65 65 LEU CG C 26.714 0.300 1
699 65 65 LEU CD1 C 25.291 0.300 2
700 65 65 LEU CD2 C 22.824 0.300 2
701 65 65 LEU N N 124.825 0.300 1
702 66 66 CYS H H 9.051 0.030 1
703 66 66 CYS HA H 4.879 0.030 1
704 66 66 CYS HB2 H 2.531 0.030 2
705 66 66 CYS HB3 H 2.396 0.030 2
706 66 66 CYS C C 171.615 0.300 1
707 66 66 CYS CA C 57.785 0.300 1
708 66 66 CYS CB C 33.728 0.300 1
709 66 66 CYS N N 122.080 0.300 1
710 67 67 ALA H H 9.395 0.030 1
711 67 67 ALA HA H 5.455 0.030 1
712 67 67 ALA HB H 1.247 0.030 1
713 67 67 ALA C C 176.005 0.300 1
714 67 67 ALA CA C 49.468 0.300 1
715 67 67 ALA CB C 22.002 0.300 1
716 67 67 ALA N N 123.123 0.300 1
717 68 68 PHE H H 8.248 0.030 1
718 68 68 PHE HA H 5.417 0.030 1
719 68 68 PHE HB2 H 2.941 0.030 2
720 68 68 PHE HB3 H 2.585 0.030 2
721 68 68 PHE HD1 H 7.105 0.030 1
722 68 68 PHE HD2 H 7.105 0.030 1
723 68 68 PHE HE1 H 7.226 0.030 1
724 68 68 PHE HE2 H 7.226 0.030 1
725 68 68 PHE HZ H 7.259 0.030 1
726 68 68 PHE C C 175.767 0.300 1
727 68 68 PHE CA C 56.553 0.300 1
728 68 68 PHE CB C 43.933 0.300 1
729 68 68 PHE CD1 C 131.938 0.300 1
730 68 68 PHE CD2 C 131.938 0.300 1
731 68 68 PHE CE1 C 131.190 0.300 1
732 68 68 PHE CE2 C 131.190 0.300 1
733 68 68 PHE CZ C 129.285 0.300 1
734 68 68 PHE N N 116.487 0.300 1
735 69 69 ILE H H 9.085 0.030 1
736 69 69 ILE HA H 4.579 0.030 1
737 69 69 ILE HB H 2.119 0.030 1
738 69 69 ILE HG12 H 1.879 0.030 2
739 69 69 ILE HG13 H 0.943 0.030 2
740 69 69 ILE HG2 H 0.744 0.030 1
741 69 69 ILE HD1 H 0.948 0.030 1
742 69 69 ILE C C 177.647 0.300 1
743 69 69 ILE CA C 61.981 0.300 1
744 69 69 ILE CB C 38.070 0.300 1
745 69 69 ILE CG1 C 29.007 0.300 1
746 69 69 ILE CG2 C 19.444 0.300 1
747 69 69 ILE CD1 C 15.464 0.300 1
748 69 69 ILE N N 121.273 0.300 1
749 70 70 THR H H 9.286 0.030 1
750 70 70 THR HA H 4.698 0.030 1
751 70 70 THR HB H 4.298 0.030 1
752 70 70 THR HG2 H 1.186 0.030 1
753 70 70 THR C C 175.137 0.300 1
754 70 70 THR CA C 61.908 0.300 1
755 70 70 THR CB C 69.005 0.300 1
756 70 70 THR CG2 C 22.921 0.300 1
757 70 70 THR N N 120.377 0.300 1
758 71 71 LYS H H 7.385 0.030 1
759 71 71 LYS HA H 4.515 0.030 1
760 71 71 LYS HB2 H 1.727 0.030 2
761 71 71 LYS HB3 H 1.671 0.030 2
762 71 71 LYS HG2 H 1.431 0.030 2
763 71 71 LYS HG3 H 1.312 0.030 2
764 71 71 LYS HD2 H 1.683 0.030 2
765 71 71 LYS HD3 H 1.630 0.030 2
766 71 71 LYS HE2 H 2.939 0.030 1
767 71 71 LYS HE3 H 2.939 0.030 1
768 71 71 LYS C C 173.901 0.300 1
769 71 71 LYS CA C 56.358 0.300 1
770 71 71 LYS CB C 37.052 0.300 1
771 71 71 LYS CG C 25.020 0.300 1
772 71 71 LYS CD C 29.289 0.300 1
773 71 71 LYS CE C 42.262 0.300 1
774 71 71 LYS N N 121.577 0.300 1
775 72 72 VAL H H 8.568 0.030 1
776 72 72 VAL HA H 4.424 0.030 1
777 72 72 VAL HB H 1.798 0.030 1
778 72 72 VAL HG1 H 0.533 0.030 1
779 72 72 VAL HG2 H 0.618 0.030 1
780 72 72 VAL C C 175.054 0.300 1
781 72 72 VAL CA C 61.357 0.300 1
782 72 72 VAL CB C 35.029 0.300 1
783 72 72 VAL CG1 C 21.486 0.300 2
784 72 72 VAL CG2 C 20.543 0.300 2
785 72 72 VAL N N 122.680 0.300 1
786 73 73 LYS H H 9.085 0.030 1
787 73 73 LYS HA H 4.293 0.030 1
788 73 73 LYS HB2 H 1.831 0.030 2
789 73 73 LYS HB3 H 1.735 0.030 2
790 73 73 LYS HG2 H 1.483 0.030 2
791 73 73 LYS HG3 H 1.426 0.030 2
792 73 73 LYS HD2 H 1.774 0.030 2
793 73 73 LYS HD3 H 1.709 0.030 2
794 73 73 LYS HE2 H 3.029 0.030 1
795 73 73 LYS HE3 H 3.029 0.030 1
796 73 73 LYS C C 177.465 0.300 1
797 73 73 LYS CA C 56.130 0.300 1
798 73 73 LYS CB C 32.986 0.300 1
799 73 73 LYS CG C 24.676 0.300 1
800 73 73 LYS CD C 29.320 0.300 1
801 73 73 LYS CE C 42.252 0.300 1
802 73 73 LYS N N 128.852 0.300 1
803 74 74 LYS H H 9.259 0.030 1
804 74 74 LYS HA H 4.155 0.030 1
805 74 74 LYS HB2 H 1.884 0.030 2
806 74 74 LYS HB3 H 1.790 0.030 2
807 74 74 LYS HG2 H 1.537 0.030 2
808 74 74 LYS HG3 H 1.439 0.030 2
809 74 74 LYS HD2 H 1.723 0.030 1
810 74 74 LYS HD3 H 1.723 0.030 1
811 74 74 LYS HE2 H 3.029 0.030 1
812 74 74 LYS HE3 H 3.029 0.030 1
813 74 74 LYS C C 178.409 0.300 1
814 74 74 LYS CA C 57.842 0.300 1
815 74 74 LYS CB C 31.672 0.300 1
816 74 74 LYS CG C 24.538 0.300 1
817 74 74 LYS CD C 28.885 0.300 1
818 74 74 LYS CE C 42.109 0.300 1
819 74 74 LYS N N 133.879 0.300 1
820 75 75 GLY H H 10.857 0.030 1
821 75 75 GLY HA2 H 4.334 0.030 2
822 75 75 GLY HA3 H 3.615 0.030 2
823 75 75 GLY C C 174.215 0.300 1
824 75 75 GLY CA C 45.551 0.300 1
825 75 75 GLY N N 116.862 0.300 1
826 76 76 SER H H 7.865 0.030 1
827 76 76 SER HA H 4.657 0.030 1
828 76 76 SER HB2 H 4.252 0.030 2
829 76 76 SER HB3 H 3.783 0.030 2
830 76 76 SER C C 175.298 0.300 1
831 76 76 SER CA C 58.232 0.300 1
832 76 76 SER CB C 65.802 0.300 1
833 76 76 SER N N 116.081 0.300 1
834 77 77 LEU H H 8.935 0.030 1
835 77 77 LEU HA H 4.180 0.030 1
836 77 77 LEU HB2 H 1.833 0.030 2
837 77 77 LEU HB3 H 1.427 0.030 2
838 77 77 LEU HG H 1.790 0.030 1
839 77 77 LEU HD1 H 0.887 0.030 1
840 77 77 LEU HD2 H 0.902 0.030 1
841 77 77 LEU C C 179.393 0.300 1
842 77 77 LEU CA C 58.398 0.300 1
843 77 77 LEU CB C 43.083 0.300 1
844 77 77 LEU CG C 27.136 0.300 1
845 77 77 LEU CD1 C 25.907 0.300 2
846 77 77 LEU CD2 C 23.330 0.300 2
847 77 77 LEU N N 121.262 0.300 1
848 78 78 ALA H H 8.342 0.030 1
849 78 78 ALA HA H 3.704 0.030 1
850 78 78 ALA HB H 1.403 0.030 1
851 78 78 ALA C C 176.690 0.300 1
852 78 78 ALA CA C 55.730 0.300 1
853 78 78 ALA CB C 19.728 0.300 1
854 78 78 ALA N N 118.884 0.300 1
855 79 79 ASP H H 7.148 0.030 1
856 79 79 ASP HA H 4.461 0.030 1
857 79 79 ASP HB2 H 3.043 0.030 2
858 79 79 ASP HB3 H 2.726 0.030 2
859 79 79 ASP C C 176.850 0.300 1
860 79 79 ASP CA C 56.517 0.300 1
861 79 79 ASP CB C 43.757 0.300 1
862 79 79 ASP N N 114.375 0.300 1
863 80 80 THR H H 8.821 0.030 1
864 80 80 THR HA H 3.788 0.030 1
865 80 80 THR HB H 4.190 0.030 1
866 80 80 THR HG2 H 1.258 0.030 1
867 80 80 THR C C 175.348 0.300 1
868 80 80 THR CA C 65.100 0.300 1
869 80 80 THR CB C 69.218 0.300 1
870 80 80 THR CG2 C 22.198 0.300 1
871 80 80 THR N N 108.315 0.300 1
872 81 81 VAL H H 8.058 0.030 1
873 81 81 VAL HA H 4.012 0.030 1
874 81 81 VAL HB H 2.030 0.030 1
875 81 81 VAL HG1 H 0.991 0.030 1
876 81 81 VAL HG2 H 0.859 0.030 1
877 81 81 VAL C C 177.416 0.300 1
878 81 81 VAL CA C 63.938 0.300 1
879 81 81 VAL CB C 32.228 0.300 1
880 81 81 VAL CG1 C 22.055 0.300 2
881 81 81 VAL CG2 C 21.119 0.300 2
882 81 81 VAL N N 119.719 0.300 1
883 82 82 GLY H H 7.441 0.030 1
884 82 82 GLY HA2 H 3.844 0.030 2
885 82 82 GLY HA3 H 3.340 0.030 2
886 82 82 GLY C C 172.559 0.300 1
887 82 82 GLY CA C 47.406 0.300 1
888 82 82 GLY N N 101.235 0.300 1
889 83 83 HIS H H 7.296 0.030 1
890 83 83 HIS HA H 4.876 0.030 1
891 83 83 HIS HB2 H 3.543 0.030 2
892 83 83 HIS HB3 H 3.308 0.030 2
893 83 83 HIS HD2 H 7.150 0.030 1
894 83 83 HIS HE1 H 8.500 0.030 1
895 83 83 HIS C C 175.816 0.300 1
896 83 83 HIS CA C 55.693 0.300 1
897 83 83 HIS CB C 26.572 0.300 1
898 83 83 HIS CD2 C 120.069 0.300 1
899 83 83 HIS CE1 C 136.048 0.300 1
900 83 83 HIS N N 113.794 0.300 1
901 84 84 LEU H H 7.865 0.030 1
902 84 84 LEU HA H 4.213 0.030 1
903 84 84 LEU HB2 H 1.508 0.030 2
904 84 84 LEU HB3 H 1.429 0.030 2
905 84 84 LEU HG H 1.694 0.030 1
906 84 84 LEU HD1 H 0.892 0.030 1
907 84 84 LEU HD2 H 1.063 0.030 1
908 84 84 LEU C C 175.466 0.300 1
909 84 84 LEU CA C 54.802 0.300 1
910 84 84 LEU CB C 42.683 0.300 1
911 84 84 LEU CG C 27.528 0.300 1
912 84 84 LEU CD1 C 26.131 0.300 2
913 84 84 LEU CD2 C 23.691 0.300 2
914 84 84 LEU N N 117.192 0.300 1
915 85 85 ARG H H 8.802 0.030 1
916 85 85 ARG HA H 4.899 0.030 1
917 85 85 ARG HB2 H 1.728 0.030 2
918 85 85 ARG HB3 H 1.657 0.030 2
919 85 85 ARG HG2 H 1.683 0.030 2
920 85 85 ARG HG3 H 1.535 0.030 2
921 85 85 ARG HD2 H 3.094 0.030 2
922 85 85 ARG HD3 H 3.000 0.030 2
923 85 85 ARG HE H 7.186 0.030 1
924 85 85 ARG C C 172.783 0.300 1
925 85 85 ARG CA C 53.247 0.300 1
926 85 85 ARG CB C 32.945 0.300 1
927 85 85 ARG CG C 26.458 0.300 1
928 85 85 ARG CD C 44.103 0.300 1
929 85 85 ARG N N 118.809 0.300 1
930 86 86 PRO HA H 4.020 0.030 1
931 86 86 PRO HB2 H 2.085 0.030 2
932 86 86 PRO HB3 H 1.888 0.030 2
933 86 86 PRO HG2 H 2.269 0.030 2
934 86 86 PRO HG3 H 1.655 0.030 2
935 86 86 PRO HD2 H 3.650 0.030 2
936 86 86 PRO HD3 H 3.611 0.030 2
937 86 86 PRO C C 177.433 0.300 1
938 86 86 PRO CA C 63.221 0.300 1
939 86 86 PRO CB C 31.267 0.300 1
940 86 86 PRO CG C 28.942 0.300 1
941 86 86 PRO CD C 50.933 0.300 1
942 87 87 GLY H H 9.276 0.030 1
943 87 87 GLY HA2 H 4.571 0.030 2
944 87 87 GLY HA3 H 3.617 0.030 2
945 87 87 GLY C C 175.052 0.300 1
946 87 87 GLY CA C 44.805 0.300 1
947 87 87 GLY N N 114.260 0.300 1
948 88 88 ASP H H 8.014 0.030 1
949 88 88 ASP HA H 4.849 0.030 1
950 88 88 ASP HB2 H 2.928 0.030 2
951 88 88 ASP HB3 H 2.521 0.030 2
952 88 88 ASP C C 175.194 0.300 1
953 88 88 ASP CA C 56.441 0.300 1
954 88 88 ASP CB C 41.203 0.300 1
955 88 88 ASP N N 123.596 0.300 1
956 89 89 GLU H H 9.047 0.030 1
957 89 89 GLU HA H 4.708 0.030 1
958 89 89 GLU HB2 H 2.152 0.030 2
959 89 89 GLU HB3 H 1.930 0.030 2
960 89 89 GLU HG2 H 1.973 0.030 2
961 89 89 GLU HG3 H 1.723 0.030 2
962 89 89 GLU C C 176.500 0.300 1
963 89 89 GLU CA C 54.717 0.300 1
964 89 89 GLU CB C 31.178 0.300 1
965 89 89 GLU CG C 35.733 0.300 1
966 89 89 GLU N N 125.583 0.300 1
967 90 90 VAL H H 8.672 0.030 1
968 90 90 VAL HA H 4.387 0.030 1
969 90 90 VAL HB H 1.885 0.030 1
970 90 90 VAL HG1 H 1.045 0.030 1
971 90 90 VAL HG2 H 0.922 0.030 1
972 90 90 VAL C C 174.704 0.300 1
973 90 90 VAL CA C 61.982 0.300 1
974 90 90 VAL CB C 31.509 0.300 1
975 90 90 VAL CG1 C 24.190 0.300 2
976 90 90 VAL CG2 C 22.059 0.300 2
977 90 90 VAL N N 126.661 0.300 1
978 91 91 LEU H H 9.245 0.030 1
979 91 91 LEU HA H 4.354 0.030 1
980 91 91 LEU HB2 H 1.527 0.030 1
981 91 91 LEU HB3 H 1.527 0.030 1
982 91 91 LEU HG H 1.474 0.030 1
983 91 91 LEU HD1 H 0.814 0.030 1
984 91 91 LEU HD2 H 0.744 0.030 1
985 91 91 LEU C C 178.409 0.300 1
986 91 91 LEU CA C 56.800 0.300 1
987 91 91 LEU CB C 42.760 0.300 1
988 91 91 LEU CG C 27.683 0.300 1
989 91 91 LEU CD1 C 25.707 0.300 2
990 91 91 LEU CD2 C 23.145 0.300 2
991 91 91 LEU N N 126.956 0.300 1
992 92 92 GLU H H 7.793 0.030 1
993 92 92 GLU HA H 5.308 0.030 1
994 92 92 GLU HB2 H 1.756 0.030 1
995 92 92 GLU HB3 H 1.756 0.030 1
996 92 92 GLU HG2 H 2.038 0.030 2
997 92 92 GLU HG3 H 1.896 0.030 2
998 92 92 GLU C C 173.803 0.300 1
999 92 92 GLU CA C 54.958 0.300 1
1000 92 92 GLU CB C 35.471 0.300 1
1001 92 92 GLU CG C 36.200 0.300 1
1002 92 92 GLU N N 116.233 0.300 1
1003 93 93 TRP H H 8.769 0.030 1
1004 93 93 TRP HA H 4.683 0.030 1
1005 93 93 TRP HB2 H 3.224 0.030 2
1006 93 93 TRP HB3 H 2.722 0.030 2
1007 93 93 TRP HD1 H 6.840 0.030 1
1008 93 93 TRP HE1 H 9.899 0.030 1
1009 93 93 TRP HE3 H 7.235 0.030 1
1010 93 93 TRP HZ2 H 7.337 0.030 1
1011 93 93 TRP HZ3 H 6.694 0.030 1
1012 93 93 TRP HH2 H 6.949 0.030 1
1013 93 93 TRP C C 175.439 0.300 1
1014 93 93 TRP CA C 56.173 0.300 1
1015 93 93 TRP CB C 31.424 0.300 1
1016 93 93 TRP CD1 C 125.623 0.300 1
1017 93 93 TRP CE3 C 119.791 0.300 1
1018 93 93 TRP CZ2 C 114.844 0.300 1
1019 93 93 TRP CZ3 C 121.032 0.300 1
1020 93 93 TRP CH2 C 123.623 0.300 1
1021 93 93 TRP N N 123.686 0.300 1
1022 93 93 TRP NE1 N 127.549 0.300 1
1023 94 94 ASN H H 9.438 0.030 1
1024 94 94 ASN HA H 4.565 0.030 1
1025 94 94 ASN HB2 H 3.485 0.030 2
1026 94 94 ASN HB3 H 2.698 0.030 2
1027 94 94 ASN HD21 H 8.244 0.030 2
1028 94 94 ASN HD22 H 6.909 0.030 2
1029 94 94 ASN C C 175.704 0.300 1
1030 94 94 ASN CA C 53.858 0.300 1
1031 94 94 ASN CB C 37.748 0.300 1
1032 94 94 ASN N N 128.827 0.300 1
1033 94 94 ASN ND2 N 109.808 0.300 1
1034 95 95 GLY H H 9.216 0.030 1
1035 95 95 GLY HA2 H 4.057 0.030 2
1036 95 95 GLY HA3 H 3.732 0.030 2
1037 95 95 GLY C C 174.048 0.300 1
1038 95 95 GLY CA C 45.418 0.300 1
1039 95 95 GLY N N 104.028 0.300 1
1040 96 96 ARG H H 7.808 0.030 1
1041 96 96 ARG HA H 4.575 0.030 1
1042 96 96 ARG HB2 H 2.118 0.030 2
1043 96 96 ARG HB3 H 1.801 0.030 2
1044 96 96 ARG HG2 H 1.833 0.030 2
1045 96 96 ARG HG3 H 1.681 0.030 2
1046 96 96 ARG HD2 H 3.271 0.030 1
1047 96 96 ARG HD3 H 3.271 0.030 1
1048 96 96 ARG HE H 7.363 0.030 1
1049 96 96 ARG C C 175.529 0.300 1
1050 96 96 ARG CA C 54.275 0.300 1
1051 96 96 ARG CB C 30.620 0.300 1
1052 96 96 ARG CG C 27.058 0.300 1
1053 96 96 ARG CD C 42.997 0.300 1
1054 96 96 ARG N N 120.573 0.300 1
1055 96 96 ARG NE N 84.396 0.300 1
1056 97 97 LEU H H 8.551 0.030 1
1057 97 97 LEU HA H 4.506 0.030 1
1058 97 97 LEU HB2 H 1.818 0.030 2
1059 97 97 LEU HB3 H 1.694 0.030 2
1060 97 97 LEU HG H 1.786 0.030 1
1061 97 97 LEU HD1 H 0.928 0.030 1
1062 97 97 LEU HD2 H 1.031 0.030 1
1063 97 97 LEU C C 177.458 0.300 1
1064 97 97 LEU CA C 55.892 0.300 1
1065 97 97 LEU CB C 42.244 0.300 1
1066 97 97 LEU CG C 27.523 0.300 1
1067 97 97 LEU CD1 C 24.672 0.300 2
1068 97 97 LEU CD2 C 24.272 0.300 2
1069 97 97 LEU N N 125.556 0.300 1
1070 98 98 LEU H H 8.429 0.030 1
1071 98 98 LEU HA H 4.326 0.030 1
1072 98 98 LEU HB2 H 1.930 0.030 2
1073 98 98 LEU HB3 H 1.351 0.030 2
1074 98 98 LEU HG H 1.585 0.030 1
1075 98 98 LEU HD1 H 0.750 0.030 1
1076 98 98 LEU HD2 H 0.680 0.030 1
1077 98 98 LEU C C 177.982 0.300 1
1078 98 98 LEU CA C 54.480 0.300 1
1079 98 98 LEU CB C 41.122 0.300 1
1080 98 98 LEU CG C 27.293 0.300 1
1081 98 98 LEU CD1 C 25.867 0.300 2
1082 98 98 LEU CD2 C 22.824 0.300 2
1083 98 98 LEU N N 120.956 0.300 1
1084 99 99 GLN H H 7.571 0.030 1
1085 99 99 GLN HA H 4.567 0.030 1
1086 99 99 GLN HB2 H 2.092 0.030 2
1087 99 99 GLN HB3 H 2.008 0.030 2
1088 99 99 GLN HG2 H 2.731 0.030 2
1089 99 99 GLN HG3 H 2.444 0.030 2
1090 99 99 GLN HE21 H 8.629 0.030 2
1091 99 99 GLN HE22 H 6.704 0.030 2
1092 99 99 GLN C C 177.947 0.300 1
1093 99 99 GLN CA C 58.171 0.300 1
1094 99 99 GLN CB C 29.529 0.300 1
1095 99 99 GLN CG C 35.487 0.300 1
1096 99 99 GLN N N 120.740 0.300 1
1097 99 99 GLN NE2 N 115.631 0.300 1
1098 100 100 GLY H H 9.596 0.030 1
1099 100 100 GLY HA2 H 4.339 0.030 2
1100 100 100 GLY HA3 H 3.907 0.030 2
1101 100 100 GLY C C 172.853 0.300 1
1102 100 100 GLY CA C 45.497 0.300 1
1103 100 100 GLY N N 115.785 0.300 1
1104 101 101 ALA H H 7.370 0.030 1
1105 101 101 ALA HA H 4.632 0.030 1
1106 101 101 ALA HB H 1.376 0.030 1
1107 101 101 ALA C C 177.108 0.300 1
1108 101 101 ALA CA C 50.952 0.300 1
1109 101 101 ALA CB C 20.087 0.300 1
1110 101 101 ALA N N 123.505 0.300 1
1111 102 102 THR H H 8.577 0.030 1
1112 102 102 THR HA H 4.278 0.030 1
1113 102 102 THR HB H 4.797 0.030 1
1114 102 102 THR HG2 H 1.346 0.030 1
1115 102 102 THR C C 174.781 0.300 1
1116 102 102 THR CA C 61.123 0.300 1
1117 102 102 THR CB C 71.651 0.300 1
1118 102 102 THR CG2 C 22.133 0.300 1
1119 102 102 THR N N 109.760 0.300 1
1120 103 103 PHE H H 9.112 0.030 1
1121 103 103 PHE HA H 3.612 0.030 1
1122 103 103 PHE HB2 H 3.379 0.030 2
1123 103 103 PHE HB3 H 2.996 0.030 2
1124 103 103 PHE HD1 H 7.379 0.030 1
1125 103 103 PHE HD2 H 7.379 0.030 1
1126 103 103 PHE HE1 H 7.323 0.030 1
1127 103 103 PHE HE2 H 7.323 0.030 1
1128 103 103 PHE HZ H 7.305 0.030 1
1129 103 103 PHE C C 177.912 0.300 1
1130 103 103 PHE CA C 62.252 0.300 1
1131 103 103 PHE CB C 39.115 0.300 1
1132 103 103 PHE CD1 C 132.449 0.300 1
1133 103 103 PHE CD2 C 132.449 0.300 1
1134 103 103 PHE CE1 C 131.193 0.300 1
1135 103 103 PHE CE2 C 131.193 0.300 1
1136 103 103 PHE CZ C 130.102 0.300 1
1137 103 103 PHE N N 119.954 0.300 1
1138 104 104 GLU H H 9.085 0.030 1
1139 104 104 GLU HA H 3.762 0.030 1
1140 104 104 GLU HB2 H 2.087 0.030 2
1141 104 104 GLU HB3 H 1.942 0.030 2
1142 104 104 GLU HG2 H 2.450 0.030 2
1143 104 104 GLU HG3 H 2.325 0.030 2
1144 104 104 GLU C C 178.401 0.300 1
1145 104 104 GLU CA C 60.023 0.300 1
1146 104 104 GLU CB C 29.360 0.300 1
1147 104 104 GLU CG C 37.088 0.300 1
1148 104 104 GLU N N 119.453 0.300 1
1149 105 105 GLU H H 7.664 0.030 1
1150 105 105 GLU HA H 3.977 0.030 1
1151 105 105 GLU HB2 H 2.314 0.030 2
1152 105 105 GLU HB3 H 1.874 0.030 2
1153 105 105 GLU HG2 H 2.370 0.030 2
1154 105 105 GLU HG3 H 2.257 0.030 2
1155 105 105 GLU C C 179.806 0.300 1
1156 105 105 GLU CA C 59.183 0.300 1
1157 105 105 GLU CB C 30.165 0.300 1
1158 105 105 GLU CG C 37.288 0.300 1
1159 105 105 GLU N N 119.974 0.300 1
1160 106 106 VAL H H 8.234 0.030 1
1161 106 106 VAL HA H 3.246 0.030 1
1162 106 106 VAL HB H 1.907 0.030 1
1163 106 106 VAL HG1 H 1.055 0.030 1
1164 106 106 VAL HG2 H 0.561 0.030 1
1165 106 106 VAL C C 176.137 0.300 1
1166 106 106 VAL CA C 67.403 0.300 1
1167 106 106 VAL CB C 31.087 0.300 1
1168 106 106 VAL CG1 C 25.316 0.300 2
1169 106 106 VAL CG2 C 21.705 0.300 2
1170 106 106 VAL N N 119.199 0.300 1
1171 107 107 TYR H H 7.976 0.030 1
1172 107 107 TYR HA H 3.578 0.030 1
1173 107 107 TYR HB2 H 2.877 0.030 2
1174 107 107 TYR HB3 H 2.369 0.030 2
1175 107 107 TYR HD1 H 6.994 0.030 1
1176 107 107 TYR HD2 H 6.994 0.030 1
1177 107 107 TYR HE1 H 6.832 0.030 1
1178 107 107 TYR HE2 H 6.832 0.030 1
1179 107 107 TYR C C 178.024 0.300 1
1180 107 107 TYR CA C 61.573 0.300 1
1181 107 107 TYR CB C 38.150 0.300 1
1182 107 107 TYR CD1 C 133.303 0.300 1
1183 107 107 TYR CD2 C 133.303 0.300 1
1184 107 107 TYR CE1 C 118.176 0.300 1
1185 107 107 TYR CE2 C 118.176 0.300 1
1186 107 107 TYR N N 119.471 0.300 1
1187 108 108 ASN H H 8.071 0.030 1
1188 108 108 ASN HA H 4.348 0.030 1
1189 108 108 ASN HB2 H 2.838 0.030 2
1190 108 108 ASN HB3 H 2.751 0.030 2
1191 108 108 ASN HD21 H 7.583 0.030 2
1192 108 108 ASN HD22 H 6.958 0.030 2
1193 108 108 ASN C C 177.318 0.300 1
1194 108 108 ASN CA C 56.396 0.300 1
1195 108 108 ASN CB C 38.322 0.300 1
1196 108 108 ASN N N 117.291 0.300 1
1197 108 108 ASN ND2 N 112.319 0.300 1
1198 109 109 ILE H H 8.004 0.030 1
1199 109 109 ILE HA H 3.511 0.030 1
1200 109 109 ILE HB H 1.663 0.030 1
1201 109 109 ILE HG12 H 1.760 0.030 2
1202 109 109 ILE HG13 H 0.820 0.030 2
1203 109 109 ILE HG2 H 0.723 0.030 1
1204 109 109 ILE HD1 H 0.642 0.030 1
1205 109 109 ILE C C 178.639 0.300 1
1206 109 109 ILE CA C 65.577 0.300 1
1207 109 109 ILE CB C 38.412 0.300 1
1208 109 109 ILE CG1 C 30.352 0.300 1
1209 109 109 ILE CG2 C 17.059 0.300 1
1210 109 109 ILE CD1 C 14.037 0.300 1
1211 109 109 ILE N N 123.232 0.300 1
1212 110 110 ILE H H 7.782 0.030 1
1213 110 110 ILE HA H 2.765 0.030 1
1214 110 110 ILE HB H 1.269 0.030 1
1215 110 110 ILE HG12 H 0.680 0.030 2
1216 110 110 ILE HG13 H -1.260 0.030 2
1217 110 110 ILE HG2 H 0.357 0.030 1
1218 110 110 ILE HD1 H -0.147 0.030 1
1219 110 110 ILE C C 180.875 0.300 1
1220 110 110 ILE CA C 65.365 0.300 1
1221 110 110 ILE CB C 36.826 0.300 1
1222 110 110 ILE CG1 C 27.145 0.300 1
1223 110 110 ILE CG2 C 16.293 0.300 1
1224 110 110 ILE CD1 C 12.847 0.300 1
1225 110 110 ILE N N 120.577 0.300 1
1226 111 111 LEU H H 8.234 0.030 1
1227 111 111 LEU HA H 3.876 0.030 1
1228 111 111 LEU HB2 H 1.687 0.030 2
1229 111 111 LEU HB3 H 1.339 0.030 2
1230 111 111 LEU HG H 1.440 0.030 1
1231 111 111 LEU HD1 H 0.861 0.030 1
1232 111 111 LEU HD2 H 0.818 0.030 1
1233 111 111 LEU C C 180.477 0.300 1
1234 111 111 LEU CA C 58.545 0.300 1
1235 111 111 LEU CB C 42.098 0.300 1
1236 111 111 LEU CG C 26.873 0.300 1
1237 111 111 LEU CD1 C 25.026 0.300 2
1238 111 111 LEU CD2 C 23.969 0.300 2
1239 111 111 LEU N N 124.938 0.300 1
1240 112 112 GLU H H 8.440 0.030 1
1241 112 112 GLU HA H 4.008 0.030 1
1242 112 112 GLU HB2 H 2.112 0.030 1
1243 112 112 GLU HB3 H 2.112 0.030 1
1244 112 112 GLU HG2 H 2.485 0.030 2
1245 112 112 GLU HG3 H 2.315 0.030 2
1246 112 112 GLU C C 177.034 0.300 1
1247 112 112 GLU CA C 58.685 0.300 1
1248 112 112 GLU CB C 29.401 0.300 1
1249 112 112 GLU CG C 36.819 0.300 1
1250 112 112 GLU N N 119.440 0.300 1
1251 113 113 SER H H 7.588 0.030 1
1252 113 113 SER HA H 4.714 0.030 1
1253 113 113 SER HB2 H 4.310 0.030 2
1254 113 113 SER HB3 H 4.284 0.030 2
1255 113 113 SER C C 175.024 0.300 1
1256 113 113 SER CA C 58.531 0.300 1
1257 113 113 SER CB C 65.082 0.300 1
1258 113 113 SER N N 111.273 0.300 1
1259 114 114 LYS H H 7.738 0.030 1
1260 114 114 LYS HA H 4.154 0.030 1
1261 114 114 LYS HB2 H 2.116 0.030 2
1262 114 114 LYS HB3 H 1.968 0.030 2
1263 114 114 LYS HG2 H 1.698 0.030 2
1264 114 114 LYS HG3 H 1.459 0.030 2
1265 114 114 LYS HD2 H 1.762 0.030 1
1266 114 114 LYS HD3 H 1.762 0.030 1
1267 114 114 LYS HE2 H 3.006 0.030 1
1268 114 114 LYS HE3 H 3.006 0.030 1
1269 114 114 LYS C C 171.521 0.300 1
1270 114 114 LYS CA C 62.130 0.300 1
1271 114 114 LYS CB C 30.493 0.300 1
1272 114 114 LYS CG C 25.654 0.300 1
1273 114 114 LYS CD C 29.708 0.300 1
1274 114 114 LYS CE C 42.161 0.300 1
1275 114 114 LYS N N 125.867 0.300 1
1276 115 115 PRO HA H 4.561 0.030 1
1277 115 115 PRO HB2 H 2.285 0.030 2
1278 115 115 PRO HB3 H 1.929 0.030 2
1279 115 115 PRO HG2 H 1.982 0.030 1
1280 115 115 PRO HG3 H 1.982 0.030 1
1281 115 115 PRO HD2 H 3.742 0.030 2
1282 115 115 PRO HD3 H 3.618 0.030 2
1283 115 115 PRO C C 177.252 0.300 1
1284 115 115 PRO CA C 64.419 0.300 1
1285 115 115 PRO CB C 31.677 0.300 1
1286 115 115 PRO CG C 27.578 0.300 1
1287 115 115 PRO CD C 50.186 0.300 1
1288 116 116 GLU H H 7.752 0.030 1
1289 116 116 GLU HA H 4.460 0.030 1
1290 116 116 GLU HB2 H 2.251 0.030 2
1291 116 116 GLU HB3 H 2.119 0.030 2
1292 116 116 GLU HG2 H 2.468 0.030 2
1293 116 116 GLU HG3 H 2.319 0.030 2
1294 116 116 GLU C C 176.992 0.300 1
1295 116 116 GLU CA C 54.687 0.300 1
1296 116 116 GLU CB C 29.012 0.300 1
1297 116 116 GLU CG C 36.436 0.300 1
1298 116 116 GLU N N 118.790 0.300 1
1299 117 117 PRO HA H 4.304 0.030 1
1300 117 117 PRO HB2 H 2.160 0.030 2
1301 117 117 PRO HB3 H 2.003 0.030 2
1302 117 117 PRO HG2 H 2.089 0.030 2
1303 117 117 PRO HG3 H 2.005 0.030 2
1304 117 117 PRO HD2 H 3.962 0.030 2
1305 117 117 PRO HD3 H 3.828 0.030 2
1306 117 117 PRO C C 174.314 0.300 1
1307 117 117 PRO CA C 64.544 0.300 1
1308 117 117 PRO CB C 32.059 0.300 1
1309 117 117 PRO CG C 27.310 0.300 1
1310 117 117 PRO CD C 50.687 0.300 1
1311 118 118 GLN H H 7.280 0.030 1
1312 118 118 GLN HA H 5.052 0.030 1
1313 118 118 GLN HB2 H 2.105 0.030 2
1314 118 118 GLN HB3 H 1.734 0.030 2
1315 118 118 GLN HG2 H 2.100 0.030 2
1316 118 118 GLN HG3 H 2.022 0.030 2
1317 118 118 GLN HE21 H 7.568 0.030 2
1318 118 118 GLN HE22 H 6.849 0.030 2
1319 118 118 GLN C C 173.670 0.300 1
1320 118 118 GLN CA C 53.956 0.300 1
1321 118 118 GLN CB C 31.826 0.300 1
1322 118 118 GLN CG C 32.802 0.300 1
1323 118 118 GLN N N 112.508 0.300 1
1324 118 118 GLN NE2 N 112.837 0.300 1
1325 119 119 VAL H H 8.523 0.030 1
1326 119 119 VAL HA H 4.419 0.030 1
1327 119 119 VAL HB H 1.339 0.030 1
1328 119 119 VAL HG1 H 0.569 0.030 1
1329 119 119 VAL HG2 H -0.104 0.030 1
1330 119 119 VAL C C 172.971 0.300 1
1331 119 119 VAL CA C 60.495 0.300 1
1332 119 119 VAL CB C 35.470 0.300 1
1333 119 119 VAL CG1 C 21.089 0.300 2
1334 119 119 VAL CG2 C 19.866 0.300 2
1335 119 119 VAL N N 119.511 0.300 1
1336 120 120 GLU H H 8.410 0.030 1
1337 120 120 GLU HA H 5.066 0.030 1
1338 120 120 GLU HB2 H 1.913 0.030 2
1339 120 120 GLU HB3 H 1.673 0.030 2
1340 120 120 GLU HG2 H 1.912 0.030 2
1341 120 120 GLU HG3 H 1.808 0.030 2
1342 120 120 GLU C C 174.900 0.300 1
1343 120 120 GLU CA C 54.031 0.300 1
1344 120 120 GLU CB C 31.822 0.300 1
1345 120 120 GLU CG C 37.062 0.300 1
1346 120 120 GLU N N 127.036 0.300 1
1347 121 121 LEU H H 9.319 0.030 1
1348 121 121 LEU HA H 5.064 0.030 1
1349 121 121 LEU HB2 H 1.499 0.030 2
1350 121 121 LEU HB3 H 1.260 0.030 2
1351 121 121 LEU HG H 1.248 0.030 1
1352 121 121 LEU HD1 H 0.420 0.030 1
1353 121 121 LEU HD2 H 0.318 0.030 1
1354 121 121 LEU C C 175.865 0.300 1
1355 121 121 LEU CA C 53.708 0.300 1
1356 121 121 LEU CB C 45.520 0.300 1
1357 121 121 LEU CG C 27.528 0.300 1
1358 121 121 LEU CD1 C 26.162 0.300 2
1359 121 121 LEU CD2 C 25.890 0.300 2
1360 121 121 LEU N N 127.153 0.300 1
1361 122 122 VAL H H 8.034 0.030 1
1362 122 122 VAL HA H 5.045 0.030 1
1363 122 122 VAL HB H 1.724 0.030 1
1364 122 122 VAL HG1 H 0.830 0.030 1
1365 122 122 VAL HG2 H 0.764 0.030 1
1366 122 122 VAL C C 176.207 0.300 1
1367 122 122 VAL CA C 61.763 0.300 1
1368 122 122 VAL CB C 33.197 0.300 1
1369 122 122 VAL CG1 C 21.507 0.300 2
1370 122 122 VAL CG2 C 21.125 0.300 2
1371 122 122 VAL N N 121.549 0.300 1
1372 123 123 VAL H H 9.371 0.030 1
1373 123 123 VAL HA H 5.495 0.030 1
1374 123 123 VAL HB H 2.057 0.030 1
1375 123 123 VAL HG1 H 1.020 0.030 1
1376 123 123 VAL HG2 H 0.766 0.030 1
1377 123 123 VAL C C 173.957 0.300 1
1378 123 123 VAL CA C 59.017 0.300 1
1379 123 123 VAL CB C 35.897 0.300 1
1380 123 123 VAL CG1 C 22.080 0.300 2
1381 123 123 VAL CG2 C 20.629 0.300 2
1382 123 123 VAL N N 123.941 0.300 1
1383 124 124 SER H H 9.431 0.030 1
1384 124 124 SER HA H 5.744 0.030 1
1385 124 124 SER HB2 H 3.719 0.030 2
1386 124 124 SER HB3 H 3.600 0.030 2
1387 124 124 SER C C 173.334 0.300 1
1388 124 124 SER CA C 55.924 0.300 1
1389 124 124 SER CB C 65.066 0.300 1
1390 124 124 SER N N 116.213 0.300 1
1391 125 125 ARG H H 9.442 0.030 1
1392 125 125 ARG HA H 5.050 0.030 1
1393 125 125 ARG HB2 H 1.891 0.030 1
1394 125 125 ARG HB3 H 1.891 0.030 1
1395 125 125 ARG HG2 H 1.670 0.030 1
1396 125 125 ARG HG3 H 1.670 0.030 1
1397 125 125 ARG HD2 H 2.980 0.030 2
1398 125 125 ARG HD3 H 2.370 0.030 2
1399 125 125 ARG HE H 9.176 0.030 1
1400 125 125 ARG C C 175.522 0.300 1
1401 125 125 ARG CA C 54.872 0.300 1
1402 125 125 ARG CB C 34.880 0.300 1
1403 125 125 ARG CG C 26.045 0.300 1
1404 125 125 ARG CD C 43.573 0.300 1
1405 125 125 ARG N N 128.431 0.300 1
1406 125 125 ARG NE N 85.101 0.300 1
1407 126 126 SER H H 8.903 0.030 1
1408 126 126 SER HA H 4.606 0.030 1
1409 126 126 SER HB2 H 3.957 0.030 1
1410 126 126 SER HB3 H 3.957 0.030 1
1411 126 126 SER C C 174.376 0.300 1
1412 126 126 SER CA C 59.108 0.300 1
1413 126 126 SER CB C 64.170 0.300 1
1414 126 126 SER N N 120.736 0.300 1
1415 127 127 GLY H H 8.316 0.030 1
1416 127 127 GLY HA2 H 4.114 0.030 2
1417 127 127 GLY HA3 H 3.980 0.030 2
1418 127 127 GLY C C 171.717 0.300 1
1419 127 127 GLY CA C 44.675 0.300 1
1420 127 127 GLY N N 110.880 0.300 1
1421 128 128 PRO HA H 4.444 0.030 1
1422 128 128 PRO HB2 H 2.251 0.030 2
1423 128 128 PRO HB3 H 1.962 0.030 2
1424 128 128 PRO HG2 H 1.989 0.030 1
1425 128 128 PRO HG3 H 1.989 0.030 1
1426 128 128 PRO HD2 H 3.626 0.030 2
1427 128 128 PRO HD3 H 3.546 0.030 2
1428 128 128 PRO C C 177.377 0.300 1
1429 128 128 PRO CA C 63.233 0.300 1
1430 128 128 PRO CB C 32.217 0.300 1
1431 128 128 PRO CG C 27.150 0.300 1
1432 128 128 PRO CD C 49.801 0.300 1
1433 129 129 SER H H 8.482 0.030 1
1434 129 129 SER HA H 4.437 0.030 1
1435 129 129 SER HB2 H 3.869 0.030 2
1436 129 129 SER HB3 H 3.833 0.030 2
1437 129 129 SER C C 174.656 0.300 1
1438 129 129 SER CA C 58.491 0.300 1
1439 129 129 SER CB C 63.751 0.300 1
1440 129 129 SER N N 116.147 0.300 1
1441 130 130 SER H H 8.245 0.030 1
1442 130 130 SER HA H 4.450 0.030 1
1443 130 130 SER HB2 H 3.892 0.030 2
1444 130 130 SER HB3 H 3.843 0.030 2
1445 130 130 SER C C 173.894 0.300 1
1446 130 130 SER CA C 58.388 0.300 1
1447 130 130 SER CB C 64.092 0.300 1
1448 130 130 SER N N 117.716 0.300 1
1449 131 131 GLY H H 8.016 0.030 1
1450 131 131 GLY HA2 H 3.761 0.030 2
1451 131 131 GLY HA3 H 3.725 0.030 2
1452 131 131 GLY C C 178.956 0.300 1
1453 131 131 GLY CA C 46.221 0.300 1
1454 131 131 GLY N N 116.761 0.300 1
stop_
save_