data_10089
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of phosphotyrosine interaction domain of mouse Numb protein
;
_BMRB_accession_number 10089
_BMRB_flat_file_name bmr10089.str
_Entry_type original
_Submission_date 2007-01-24
_Accession_date 2007-01-25
_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 Sato M. . .
2 Tomizawa T. . .
3 Koshiba S. . .
4 Tochio N. . .
5 Inoue M. . .
6 Kigawa T. . .
7 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" 888
"13C chemical shifts" 666
"15N chemical shifts" 162
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 'Solution structure of phosphotyrosine interaction domain of mouse Numb protein'
_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 Sato M. . .
2 Tomizawa T. . .
3 Koshiba S. . .
4 Tochio N. . .
5 Inoue M. . .
6 Kigawa T. . .
7 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 'Numb protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Numb protein' $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 'PID domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 156
_Mol_residue_sequence
;
GSSGSSGASRPHQWQTDEEG
VRTGKCSFPVKYLGHVEVDE
SRGMHICEDAVKRLKATGKK
AVKAVLWVSADGLRVVDEKT
KDLIVDQTIEKVSFCAPDRN
FDRAFSYICRDGTTRRWICH
CFMAVKDTGERLSHAVGCAF
AACLERKQKRSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ALA 9 SER 10 ARG
11 PRO 12 HIS 13 GLN 14 TRP 15 GLN
16 THR 17 ASP 18 GLU 19 GLU 20 GLY
21 VAL 22 ARG 23 THR 24 GLY 25 LYS
26 CYS 27 SER 28 PHE 29 PRO 30 VAL
31 LYS 32 TYR 33 LEU 34 GLY 35 HIS
36 VAL 37 GLU 38 VAL 39 ASP 40 GLU
41 SER 42 ARG 43 GLY 44 MET 45 HIS
46 ILE 47 CYS 48 GLU 49 ASP 50 ALA
51 VAL 52 LYS 53 ARG 54 LEU 55 LYS
56 ALA 57 THR 58 GLY 59 LYS 60 LYS
61 ALA 62 VAL 63 LYS 64 ALA 65 VAL
66 LEU 67 TRP 68 VAL 69 SER 70 ALA
71 ASP 72 GLY 73 LEU 74 ARG 75 VAL
76 VAL 77 ASP 78 GLU 79 LYS 80 THR
81 LYS 82 ASP 83 LEU 84 ILE 85 VAL
86 ASP 87 GLN 88 THR 89 ILE 90 GLU
91 LYS 92 VAL 93 SER 94 PHE 95 CYS
96 ALA 97 PRO 98 ASP 99 ARG 100 ASN
101 PHE 102 ASP 103 ARG 104 ALA 105 PHE
106 SER 107 TYR 108 ILE 109 CYS 110 ARG
111 ASP 112 GLY 113 THR 114 THR 115 ARG
116 ARG 117 TRP 118 ILE 119 CYS 120 HIS
121 CYS 122 PHE 123 MET 124 ALA 125 VAL
126 LYS 127 ASP 128 THR 129 GLY 130 GLU
131 ARG 132 LEU 133 SER 134 HIS 135 ALA
136 VAL 137 GLY 138 CYS 139 ALA 140 PHE
141 ALA 142 ALA 143 CYS 144 LEU 145 GLU
146 ARG 147 LYS 148 GLN 149 LYS 150 ARG
151 SER 152 GLY 153 PRO 154 SER 155 SER
156 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
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 1WJ1 "Solution Structure Of Phosphotyrosine Interaction Domain Of Mouse Numb Protein" 100.00 156 100.00 100.00 1.77e-109
DBJ BAB23367 "unnamed protein product [Mus musculus]" 91.67 593 100.00 100.00 2.08e-100
DBJ BAE45130 "Numb [Rattus norvegicus]" 91.67 592 100.00 100.00 1.61e-100
DBJ BAG37583 "unnamed protein product [Homo sapiens]" 91.67 640 99.30 99.30 1.55e-98
EMBL CAD66588 "unnamed protein product [Homo sapiens]" 91.67 242 100.00 100.00 2.98e-101
EMBL CAH91534 "hypothetical protein [Pongo abelii]" 91.67 592 100.00 100.00 2.76e-100
GB AAB09586 "m-Numb [Mus musculus]" 91.67 593 100.00 100.00 1.64e-100
GB AAC97962 "S171 [Homo sapiens]" 60.26 525 100.00 100.00 1.43e-60
GB AAD47834 "71 kDa Numb protein isoform [Mus musculus]" 91.67 642 100.00 100.00 2.97e-100
GB AAD49434 "NUMB [Gallus gallus]" 91.67 582 99.30 100.00 8.49e-101
GB AAD54281 "NUMB isoform 3 [Homo sapiens]" 91.67 640 100.00 100.00 7.58e-100
REF NP_001005745 "protein numb homolog isoform 4 [Homo sapiens]" 91.67 592 100.00 100.00 2.25e-100
REF NP_001095421 "protein numb homolog [Bos taurus]" 91.67 593 99.30 100.00 7.06e-100
REF NP_001125900 "protein numb homolog [Pongo abelii]" 91.67 592 100.00 100.00 2.76e-100
REF NP_001258984 "protein numb homolog isoform 3 [Mus musculus]" 91.67 642 100.00 100.00 2.97e-100
REF NP_001258985 "protein numb homolog isoform 4 [Mus musculus]" 91.67 593 100.00 100.00 1.64e-100
TPG DAA25078 "TPA: numb homolog [Bos taurus]" 91.67 568 99.30 100.00 6.63e-100
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 mouse 10090 Eukaryota Metazoa Mus musculus
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 P031020-52
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 1.3 mM '[U-13C; U-15N]'
phosphate 20 mM .
NaCl 100 mM .
d-DTT 5 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
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 0.8996
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 Bruker
_Model AVANCE
_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 'Numb protein'
_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 3 3 SER HA H 4.532 0.030 1
2 3 3 SER HB2 H 3.894 0.030 1
3 3 3 SER HB3 H 3.894 0.030 1
4 3 3 SER C C 175.159 0.300 1
5 3 3 SER CA C 58.712 0.300 1
6 3 3 SER CB C 63.677 0.300 1
7 4 4 GLY H H 8.478 0.030 1
8 4 4 GLY HA2 H 4.034 0.030 1
9 4 4 GLY HA3 H 4.034 0.030 1
10 4 4 GLY C C 174.357 0.300 1
11 4 4 GLY CA C 45.454 0.300 1
12 4 4 GLY N N 110.988 0.300 1
13 5 5 SER H H 8.291 0.030 1
14 5 5 SER HA H 4.529 0.030 1
15 5 5 SER HB2 H 3.903 0.030 1
16 5 5 SER HB3 H 3.903 0.030 1
17 5 5 SER C C 174.867 0.300 1
18 5 5 SER CA C 58.447 0.300 1
19 5 5 SER CB C 64.086 0.300 1
20 5 5 SER N N 115.801 0.300 1
21 6 6 SER H H 8.461 0.030 1
22 6 6 SER HA H 4.494 0.030 1
23 6 6 SER HB2 H 3.909 0.030 1
24 6 6 SER HB3 H 3.909 0.030 1
25 6 6 SER C C 175.171 0.300 1
26 6 6 SER CA C 58.641 0.300 1
27 6 6 SER CB C 63.861 0.300 1
28 6 6 SER N N 117.999 0.300 1
29 7 7 GLY H H 8.425 0.030 1
30 7 7 GLY HA2 H 3.957 0.030 1
31 7 7 GLY HA3 H 3.957 0.030 1
32 7 7 GLY C C 174.017 0.300 1
33 7 7 GLY CA C 45.437 0.300 1
34 7 7 GLY N N 110.902 0.300 1
35 8 8 ALA H H 8.127 0.030 1
36 8 8 ALA HA H 4.342 0.030 1
37 8 8 ALA HB H 1.379 0.030 1
38 8 8 ALA C C 177.866 0.300 1
39 8 8 ALA CA C 52.506 0.300 1
40 8 8 ALA CB C 19.403 0.300 1
41 8 8 ALA N N 123.656 0.300 1
42 9 9 SER H H 8.247 0.030 1
43 9 9 SER HA H 4.408 0.030 1
44 9 9 SER HB2 H 3.840 0.030 1
45 9 9 SER HB3 H 3.840 0.030 1
46 9 9 SER C C 174.187 0.300 1
47 9 9 SER CA C 58.271 0.300 1
48 9 9 SER CB C 63.785 0.300 1
49 9 9 SER N N 115.216 0.300 1
50 10 10 ARG H H 8.202 0.030 1
51 10 10 ARG HA H 4.478 0.030 1
52 10 10 ARG HB2 H 1.666 0.030 2
53 10 10 ARG HB3 H 1.623 0.030 2
54 10 10 ARG HG2 H 1.505 0.030 1
55 10 10 ARG HG3 H 1.505 0.030 1
56 10 10 ARG HD2 H 3.107 0.030 2
57 10 10 ARG HD3 H 3.045 0.030 2
58 10 10 ARG C C 173.993 0.300 1
59 10 10 ARG CA C 54.304 0.300 1
60 10 10 ARG CB C 30.011 0.300 1
61 10 10 ARG CG C 26.621 0.300 1
62 10 10 ARG CD C 43.326 0.300 1
63 10 10 ARG N N 123.578 0.300 1
64 11 11 PRO HA H 4.237 0.030 1
65 11 11 PRO HB2 H 2.162 0.030 2
66 11 11 PRO HB3 H 1.599 0.030 2
67 11 11 PRO HG2 H 1.821 0.030 2
68 11 11 PRO HG3 H 1.721 0.030 2
69 11 11 PRO HD2 H 3.577 0.030 2
70 11 11 PRO HD3 H 3.183 0.030 2
71 11 11 PRO C C 177.393 0.300 1
72 11 11 PRO CA C 63.304 0.300 1
73 11 11 PRO CB C 31.869 0.300 1
74 11 11 PRO CG C 27.365 0.300 1
75 11 11 PRO CD C 50.297 0.300 1
76 12 12 HIS H H 8.499 0.030 1
77 12 12 HIS HA H 4.397 0.030 1
78 12 12 HIS HB2 H 3.063 0.030 2
79 12 12 HIS HB3 H 2.990 0.030 2
80 12 12 HIS HD2 H 7.127 0.030 1
81 12 12 HIS HE1 H 8.475 0.030 1
82 12 12 HIS C C 175.899 0.300 1
83 12 12 HIS CA C 56.720 0.300 1
84 12 12 HIS CB C 29.268 0.300 1
85 12 12 HIS CD2 C 119.895 0.300 1
86 12 12 HIS CE1 C 137.087 0.300 1
87 12 12 HIS N N 119.880 0.300 1
88 13 13 GLN H H 8.347 0.030 1
89 13 13 GLN HA H 4.071 0.030 1
90 13 13 GLN HB2 H 1.832 0.030 2
91 13 13 GLN HB3 H 1.756 0.030 2
92 13 13 GLN HG2 H 2.019 0.030 2
93 13 13 GLN HG3 H 1.939 0.030 2
94 13 13 GLN HE21 H 7.130 0.030 2
95 13 13 GLN HE22 H 6.798 0.030 2
96 13 13 GLN C C 176.397 0.300 1
97 13 13 GLN CA C 57.513 0.300 1
98 13 13 GLN CB C 29.058 0.300 1
99 13 13 GLN CG C 33.435 0.300 1
100 13 13 GLN N N 121.344 0.300 1
101 13 13 GLN NE2 N 111.906 0.300 1
102 14 14 TRP H H 8.574 0.030 1
103 14 14 TRP HA H 4.813 0.030 1
104 14 14 TRP HB2 H 3.289 0.030 2
105 14 14 TRP HB3 H 3.002 0.030 2
106 14 14 TRP HD1 H 6.955 0.030 1
107 14 14 TRP HE1 H 10.244 0.030 1
108 14 14 TRP HE3 H 7.399 0.030 1
109 14 14 TRP HZ2 H 7.297 0.030 1
110 14 14 TRP HH2 H 6.985 0.030 1
111 14 14 TRP C C 177.975 0.300 1
112 14 14 TRP CA C 57.425 0.300 1
113 14 14 TRP CB C 28.146 0.300 1
114 14 14 TRP CD1 C 125.164 0.300 1
115 14 14 TRP CE3 C 121.936 0.300 1
116 14 14 TRP CZ2 C 114.094 0.300 1
117 14 14 TRP CZ3 C 121.578 0.300 1
118 14 14 TRP CH2 C 124.269 0.300 1
119 14 14 TRP N N 120.046 0.300 1
120 14 14 TRP NE1 N 128.642 0.300 1
121 15 15 GLN H H 8.097 0.030 1
122 15 15 GLN HA H 4.210 0.030 1
123 15 15 GLN HB2 H 2.200 0.030 2
124 15 15 GLN HB3 H 2.150 0.030 2
125 15 15 GLN HG2 H 2.425 0.030 1
126 15 15 GLN HG3 H 2.425 0.030 1
127 15 15 GLN HE21 H 7.603 0.030 2
128 15 15 GLN HE22 H 6.840 0.030 2
129 15 15 GLN C C 178.571 0.300 1
130 15 15 GLN CA C 59.170 0.300 1
131 15 15 GLN CB C 28.498 0.300 1
132 15 15 GLN CG C 33.874 0.300 1
133 15 15 GLN N N 121.087 0.300 1
134 15 15 GLN NE2 N 112.239 0.300 1
135 16 16 THR H H 8.271 0.030 1
136 16 16 THR HA H 4.203 0.030 1
137 16 16 THR HB H 4.371 0.030 1
138 16 16 THR HG2 H 1.302 0.030 1
139 16 16 THR C C 177.198 0.300 1
140 16 16 THR CA C 64.952 0.300 1
141 16 16 THR CB C 68.576 0.300 1
142 16 16 THR CG2 C 21.974 0.300 1
143 16 16 THR N N 112.997 0.300 1
144 17 17 ASP H H 8.185 0.030 1
145 17 17 ASP HA H 4.468 0.030 1
146 17 17 ASP HB2 H 3.048 0.030 2
147 17 17 ASP HB3 H 2.720 0.030 2
148 17 17 ASP C C 177.281 0.300 1
149 17 17 ASP CA C 57.301 0.300 1
150 17 17 ASP CB C 39.739 0.300 1
151 17 17 ASP N N 123.766 0.300 1
152 18 18 GLU H H 7.984 0.030 1
153 18 18 GLU HA H 3.890 0.030 1
154 18 18 GLU HB2 H 2.313 0.030 2
155 18 18 GLU HB3 H 2.263 0.030 2
156 18 18 GLU HG2 H 2.473 0.030 2
157 18 18 GLU HG3 H 2.414 0.030 2
158 18 18 GLU C C 178.571 0.300 1
159 18 18 GLU CA C 60.404 0.300 1
160 18 18 GLU CB C 29.223 0.300 1
161 18 18 GLU CG C 36.649 0.300 1
162 18 18 GLU N N 119.639 0.300 1
163 19 19 GLU H H 7.812 0.030 1
164 19 19 GLU HA H 4.165 0.030 1
165 19 19 GLU HB2 H 2.127 0.030 2
166 19 19 GLU HB3 H 2.073 0.030 2
167 19 19 GLU HG2 H 2.361 0.030 2
168 19 19 GLU HG3 H 2.299 0.030 2
169 19 19 GLU C C 179.736 0.300 1
170 19 19 GLU CA C 58.870 0.300 1
171 19 19 GLU CB C 29.333 0.300 1
172 19 19 GLU CG C 35.931 0.300 1
173 19 19 GLU N N 118.424 0.300 1
174 20 20 GLY H H 8.316 0.030 1
175 20 20 GLY HA2 H 3.863 0.030 2
176 20 20 GLY HA3 H 3.798 0.030 2
177 20 20 GLY C C 176.372 0.300 1
178 20 20 GLY CA C 47.499 0.300 1
179 20 20 GLY N N 108.825 0.300 1
180 21 21 VAL H H 8.628 0.030 1
181 21 21 VAL HA H 4.113 0.030 1
182 21 21 VAL HB H 2.112 0.030 1
183 21 21 VAL HG1 H 1.008 0.030 1
184 21 21 VAL HG2 H 0.738 0.030 1
185 21 21 VAL C C 178.376 0.300 1
186 21 21 VAL CA C 65.499 0.300 1
187 21 21 VAL CB C 31.899 0.300 1
188 21 21 VAL CG1 C 22.115 0.300 2
189 21 21 VAL CG2 C 20.693 0.300 2
190 21 21 VAL N N 121.815 0.300 1
191 22 22 ARG H H 7.681 0.030 1
192 22 22 ARG HA H 4.022 0.030 1
193 22 22 ARG HB2 H 2.032 0.030 1
194 22 22 ARG HB3 H 2.032 0.030 1
195 22 22 ARG HG2 H 1.836 0.030 2
196 22 22 ARG HG3 H 1.564 0.030 2
197 22 22 ARG HD2 H 3.226 0.030 1
198 22 22 ARG HD3 H 3.226 0.030 1
199 22 22 ARG HE H 6.850 0.030 1
200 22 22 ARG C C 178.254 0.300 1
201 22 22 ARG CA C 59.487 0.300 1
202 22 22 ARG CB C 30.693 0.300 1
203 22 22 ARG CG C 29.150 0.300 1
204 22 22 ARG CD C 43.241 0.300 1
205 22 22 ARG N N 118.029 0.300 1
206 23 23 THR H H 7.860 0.030 1
207 23 23 THR HA H 4.489 0.030 1
208 23 23 THR HB H 4.472 0.030 1
209 23 23 THR HG2 H 1.277 0.030 1
210 23 23 THR C C 175.571 0.300 1
211 23 23 THR CA C 61.573 0.300 1
212 23 23 THR CB C 70.784 0.300 1
213 23 23 THR CG2 C 21.794 0.300 1
214 23 23 THR N N 106.307 0.300 1
215 24 24 GLY H H 7.829 0.030 1
216 24 24 GLY HA2 H 4.147 0.030 2
217 24 24 GLY HA3 H 3.989 0.030 2
218 24 24 GLY C C 174.381 0.300 1
219 24 24 GLY CA C 46.858 0.300 1
220 24 24 GLY N N 111.241 0.300 1
221 25 25 LYS H H 8.369 0.030 1
222 25 25 LYS HA H 4.736 0.030 1
223 25 25 LYS HB2 H 2.030 0.030 2
224 25 25 LYS HB3 H 1.569 0.030 2
225 25 25 LYS HG2 H 1.372 0.030 1
226 25 25 LYS HG3 H 1.372 0.030 1
227 25 25 LYS HD2 H 1.648 0.030 1
228 25 25 LYS HD3 H 1.648 0.030 1
229 25 25 LYS HE2 H 2.976 0.030 1
230 25 25 LYS HE3 H 2.976 0.030 1
231 25 25 LYS C C 175.280 0.300 1
232 25 25 LYS CA C 55.044 0.300 1
233 25 25 LYS CB C 33.731 0.300 1
234 25 25 LYS CG C 24.605 0.300 1
235 25 25 LYS CD C 28.985 0.300 1
236 25 25 LYS CE C 42.170 0.300 1
237 25 25 LYS N N 118.800 0.300 1
238 26 26 CYS H H 7.857 0.030 1
239 26 26 CYS HA H 4.252 0.030 1
240 26 26 CYS HB2 H 2.997 0.030 2
241 26 26 CYS HB3 H 2.304 0.030 2
242 26 26 CYS C C 172.451 0.300 1
243 26 26 CYS CA C 58.835 0.300 1
244 26 26 CYS CB C 27.410 0.300 1
245 26 26 CYS N N 122.319 0.300 1
246 27 27 SER H H 7.499 0.030 1
247 27 27 SER HA H 4.906 0.030 1
248 27 27 SER HB2 H 2.138 0.030 2
249 27 27 SER HB3 H 1.594 0.030 2
250 27 27 SER C C 172.391 0.300 1
251 27 27 SER CA C 55.785 0.300 1
252 27 27 SER CB C 65.183 0.300 1
253 27 27 SER N N 122.614 0.300 1
254 28 28 PHE H H 8.547 0.030 1
255 28 28 PHE HA H 5.023 0.030 1
256 28 28 PHE HB2 H 2.809 0.030 2
257 28 28 PHE HB3 H 2.339 0.030 2
258 28 28 PHE HD1 H 6.915 0.030 1
259 28 28 PHE HD2 H 6.915 0.030 1
260 28 28 PHE HE1 H 6.660 0.030 1
261 28 28 PHE HE2 H 6.660 0.030 1
262 28 28 PHE HZ H 6.648 0.030 1
263 28 28 PHE C C 173.605 0.300 1
264 28 28 PHE CA C 54.339 0.300 1
265 28 28 PHE CB C 43.113 0.300 1
266 28 28 PHE CD1 C 132.721 0.300 1
267 28 28 PHE CD2 C 132.721 0.300 1
268 28 28 PHE CE1 C 130.035 0.300 1
269 28 28 PHE CE2 C 130.035 0.300 1
270 28 28 PHE CZ C 128.771 0.300 1
271 28 28 PHE N N 115.178 0.300 1
272 29 29 PRO HA H 4.991 0.030 1
273 29 29 PRO HB2 H 2.471 0.030 2
274 29 29 PRO HB3 H 2.019 0.030 2
275 29 29 PRO HG2 H 2.346 0.030 2
276 29 29 PRO HG3 H 2.176 0.030 2
277 29 29 PRO HD2 H 3.941 0.030 1
278 29 29 PRO HD3 H 3.941 0.030 1
279 29 29 PRO C C 177.563 0.300 1
280 29 29 PRO CA C 62.996 0.300 1
281 29 29 PRO CB C 31.533 0.300 1
282 29 29 PRO CG C 27.667 0.300 1
283 29 29 PRO CD C 50.905 0.300 1
284 30 30 VAL H H 9.088 0.030 1
285 30 30 VAL HA H 5.285 0.030 1
286 30 30 VAL HB H 2.330 0.030 1
287 30 30 VAL HG1 H 0.901 0.030 1
288 30 30 VAL HG2 H 0.932 0.030 1
289 30 30 VAL C C 174.528 0.300 1
290 30 30 VAL CA C 59.664 0.300 1
291 30 30 VAL CB C 38.344 0.300 1
292 30 30 VAL CG1 C 22.475 0.300 2
293 30 30 VAL CG2 C 19.037 0.300 2
294 30 30 VAL N N 116.758 0.300 1
295 31 31 LYS H H 9.399 0.030 1
296 31 31 LYS HA H 4.976 0.030 1
297 31 31 LYS HB2 H 1.771 0.030 2
298 31 31 LYS HB3 H 1.424 0.030 2
299 31 31 LYS HG2 H 1.431 0.030 2
300 31 31 LYS HG3 H 1.217 0.030 2
301 31 31 LYS HD2 H 1.632 0.030 2
302 31 31 LYS HD3 H 1.576 0.030 2
303 31 31 LYS HE2 H 2.834 0.030 2
304 31 31 LYS HE3 H 2.781 0.030 2
305 31 31 LYS C C 176.142 0.300 1
306 31 31 LYS CA C 55.168 0.300 1
307 31 31 LYS CB C 33.164 0.300 1
308 31 31 LYS CG C 25.404 0.300 1
309 31 31 LYS CD C 29.280 0.300 1
310 31 31 LYS CE C 43.941 0.300 1
311 31 31 LYS N N 119.660 0.300 1
312 32 32 TYR H H 9.691 0.030 1
313 32 32 TYR HA H 4.838 0.030 1
314 32 32 TYR HB2 H 3.007 0.030 2
315 32 32 TYR HB3 H 2.679 0.030 2
316 32 32 TYR HD1 H 6.553 0.030 1
317 32 32 TYR HD2 H 6.553 0.030 1
318 32 32 TYR HE1 H 6.664 0.030 1
319 32 32 TYR HE2 H 6.664 0.030 1
320 32 32 TYR C C 175.232 0.300 1
321 32 32 TYR CA C 56.244 0.300 1
322 32 32 TYR CB C 38.521 0.300 1
323 32 32 TYR CD1 C 132.761 0.300 1
324 32 32 TYR CD2 C 132.761 0.300 1
325 32 32 TYR CE1 C 118.593 0.300 1
326 32 32 TYR CE2 C 118.593 0.300 1
327 32 32 TYR N N 125.457 0.300 1
328 33 33 LEU H H 8.473 0.030 1
329 33 33 LEU HA H 3.922 0.030 1
330 33 33 LEU HB2 H 1.199 0.030 2
331 33 33 LEU HB3 H 1.128 0.030 2
332 33 33 LEU HG H 1.395 0.030 1
333 33 33 LEU HD1 H 0.612 0.030 1
334 33 33 LEU HD2 H 0.615 0.030 1
335 33 33 LEU C C 175.256 0.300 1
336 33 33 LEU CA C 55.824 0.300 1
337 33 33 LEU CB C 42.317 0.300 1
338 33 33 LEU CG C 27.695 0.300 1
339 33 33 LEU CD1 C 25.154 0.300 2
340 33 33 LEU CD2 C 22.814 0.300 2
341 33 33 LEU N N 128.901 0.300 1
342 34 34 GLY H H 5.495 0.030 1
343 34 34 GLY HA2 H 4.150 0.030 2
344 34 34 GLY HA3 H 2.741 0.030 2
345 34 34 GLY C C 169.890 0.300 1
346 34 34 GLY CA C 43.374 0.300 1
347 34 34 GLY N N 102.029 0.300 1
348 35 35 HIS H H 7.698 0.030 1
349 35 35 HIS HA H 5.837 0.030 1
350 35 35 HIS HB2 H 2.429 0.030 2
351 35 35 HIS HB3 H 2.076 0.030 2
352 35 35 HIS HD2 H 7.038 0.030 1
353 35 35 HIS C C 173.326 0.300 1
354 35 35 HIS CA C 52.294 0.300 1
355 35 35 HIS CB C 31.352 0.300 1
356 35 35 HIS CD2 C 121.162 0.300 1
357 35 35 HIS N N 112.204 0.300 1
358 36 36 VAL H H 8.526 0.030 1
359 36 36 VAL HA H 4.456 0.030 1
360 36 36 VAL HB H 2.008 0.030 1
361 36 36 VAL HG1 H 0.777 0.030 1
362 36 36 VAL HG2 H 0.791 0.030 1
363 36 36 VAL C C 174.114 0.300 1
364 36 36 VAL CA C 59.346 0.300 1
365 36 36 VAL CB C 36.238 0.300 1
366 36 36 VAL CG1 C 21.760 0.300 2
367 36 36 VAL CG2 C 20.085 0.300 2
368 36 36 VAL N N 114.358 0.300 1
369 37 37 GLU H H 8.577 0.030 1
370 37 37 GLU HA H 4.876 0.030 1
371 37 37 GLU HB2 H 1.985 0.030 1
372 37 37 GLU HB3 H 1.985 0.030 1
373 37 37 GLU HG2 H 2.516 0.030 2
374 37 37 GLU HG3 H 2.303 0.030 2
375 37 37 GLU C C 176.458 0.300 1
376 37 37 GLU CA C 57.089 0.300 1
377 37 37 GLU CB C 29.833 0.300 1
378 37 37 GLU CG C 36.698 0.300 1
379 37 37 GLU N N 124.710 0.300 1
380 38 38 VAL H H 8.674 0.030 1
381 38 38 VAL HA H 4.825 0.030 1
382 38 38 VAL HB H 2.238 0.030 1
383 38 38 VAL HG1 H 0.795 0.030 1
384 38 38 VAL HG2 H 0.783 0.030 1
385 38 38 VAL C C 175.911 0.300 1
386 38 38 VAL CA C 59.311 0.300 1
387 38 38 VAL CB C 36.191 0.300 1
388 38 38 VAL CG1 C 23.655 0.300 2
389 38 38 VAL CG2 C 18.857 0.300 2
390 38 38 VAL N N 116.765 0.300 1
391 39 39 ASP H H 8.628 0.030 1
392 39 39 ASP HA H 4.825 0.030 1
393 39 39 ASP HB2 H 2.856 0.030 2
394 39 39 ASP HB3 H 2.606 0.030 2
395 39 39 ASP C C 175.917 0.300 1
396 39 39 ASP CA C 55.519 0.300 1
397 39 39 ASP CB C 42.445 0.300 1
398 39 39 ASP N N 116.793 0.300 1
399 40 40 GLU H H 6.974 0.030 1
400 40 40 GLU HA H 4.284 0.030 1
401 40 40 GLU HB2 H 2.020 0.030 2
402 40 40 GLU HB3 H 1.501 0.030 2
403 40 40 GLU HG2 H 2.196 0.030 2
404 40 40 GLU HG3 H 2.121 0.030 2
405 40 40 GLU C C 173.329 0.300 1
406 40 40 GLU CA C 54.045 0.300 1
407 40 40 GLU CB C 34.694 0.300 1
408 40 40 GLU CG C 36.341 0.300 1
409 40 40 GLU N N 114.676 0.300 1
410 41 41 SER H H 7.422 0.030 1
411 41 41 SER HA H 2.831 0.030 1
412 41 41 SER HB2 H 1.506 0.030 2
413 41 41 SER HB3 H 1.306 0.030 2
414 41 41 SER C C 173.218 0.300 1
415 41 41 SER CA C 58.289 0.300 1
416 41 41 SER CB C 63.128 0.300 1
417 41 41 SER N N 109.737 0.300 1
418 42 42 ARG H H 6.697 0.030 1
419 42 42 ARG HA H 3.593 0.030 1
420 42 42 ARG HB2 H 1.521 0.030 2
421 42 42 ARG HB3 H 1.009 0.030 2
422 42 42 ARG HG2 H 1.296 0.030 2
423 42 42 ARG HG3 H 1.092 0.030 2
424 42 42 ARG HD2 H 3.034 0.030 1
425 42 42 ARG HD3 H 3.034 0.030 1
426 42 42 ARG HE H 7.101 0.030 1
427 42 42 ARG C C 173.073 0.300 1
428 42 42 ARG CA C 54.089 0.300 1
429 42 42 ARG CB C 32.440 0.300 1
430 42 42 ARG CG C 25.193 0.300 1
431 42 42 ARG CD C 43.239 0.300 1
432 42 42 ARG N N 112.953 0.300 1
433 42 42 ARG NE N 84.309 0.300 1
434 43 43 GLY H H 3.295 0.030 1
435 43 43 GLY HA2 H 4.099 0.030 2
436 43 43 GLY HA3 H 3.283 0.030 2
437 43 43 GLY CA C 44.459 0.300 1
438 43 43 GLY N N 104.386 0.300 1
439 44 44 MET H H 9.307 0.030 1
440 44 44 MET HA H 4.073 0.030 1
441 44 44 MET HB2 H 2.202 0.030 1
442 44 44 MET HB3 H 2.202 0.030 1
443 44 44 MET HG2 H 2.832 0.030 2
444 44 44 MET HG3 H 2.706 0.030 2
445 44 44 MET HE H 2.199 0.030 1
446 44 44 MET CA C 60.227 0.300 1
447 44 44 MET CB C 32.729 0.300 1
448 44 44 MET CG C 32.829 0.300 1
449 44 44 MET CE C 17.218 0.300 1
450 44 44 MET N N 129.677 0.300 1
451 45 45 HIS H H 8.867 0.030 1
452 45 45 HIS HA H 4.470 0.030 1
453 45 45 HIS HB2 H 3.210 0.030 2
454 45 45 HIS HB3 H 3.102 0.030 2
455 45 45 HIS HD2 H 7.128 0.030 1
456 45 45 HIS HE1 H 8.118 0.030 1
457 45 45 HIS C C 176.970 0.300 1
458 45 45 HIS CA C 58.527 0.300 1
459 45 45 HIS CB C 28.333 0.300 1
460 45 45 HIS CD2 C 119.512 0.300 1
461 45 45 HIS CE1 C 138.292 0.300 1
462 46 46 ILE H H 6.383 0.030 1
463 46 46 ILE HA H 3.678 0.030 1
464 46 46 ILE HB H 1.872 0.030 1
465 46 46 ILE HG12 H 0.992 0.030 2
466 46 46 ILE HG13 H 0.689 0.030 2
467 46 46 ILE HG2 H 0.747 0.030 1
468 46 46 ILE HD1 H 0.577 0.030 1
469 46 46 ILE C C 178.905 0.300 1
470 46 46 ILE CA C 61.749 0.300 1
471 46 46 ILE CB C 35.617 0.300 1
472 46 46 ILE CG1 C 26.577 0.300 1
473 46 46 ILE CG2 C 17.423 0.300 1
474 46 46 ILE CD1 C 10.322 0.300 1
475 46 46 ILE N N 120.866 0.300 1
476 47 47 CYS H H 7.017 0.030 1
477 47 47 CYS HA H 4.208 0.030 1
478 47 47 CYS HB2 H 3.139 0.030 2
479 47 47 CYS HB3 H 3.084 0.030 2
480 47 47 CYS C C 175.989 0.300 1
481 47 47 CYS CA C 62.929 0.300 1
482 47 47 CYS CB C 27.328 0.300 1
483 47 47 CYS N N 119.304 0.300 1
484 48 48 GLU H H 8.380 0.030 1
485 48 48 GLU HA H 4.185 0.030 1
486 48 48 GLU HB2 H 2.084 0.030 2
487 48 48 GLU HB3 H 1.946 0.030 2
488 48 48 GLU HG2 H 2.644 0.030 2
489 48 48 GLU HG3 H 2.533 0.030 2
490 48 48 GLU C C 180.363 0.300 1
491 48 48 GLU CA C 58.714 0.300 1
492 48 48 GLU CB C 29.732 0.300 1
493 48 48 GLU CG C 36.777 0.300 1
494 48 48 GLU N N 118.864 0.300 1
495 49 49 ASP H H 7.767 0.030 1
496 49 49 ASP HA H 4.426 0.030 1
497 49 49 ASP HB2 H 2.749 0.030 2
498 49 49 ASP HB3 H 2.597 0.030 2
499 49 49 ASP C C 177.587 0.300 1
500 49 49 ASP CA C 56.997 0.300 1
501 49 49 ASP CB C 41.428 0.300 1
502 49 49 ASP N N 118.885 0.300 1
503 50 50 ALA H H 7.625 0.030 1
504 50 50 ALA HA H 3.834 0.030 1
505 50 50 ALA HB H 1.351 0.030 1
506 50 50 ALA C C 178.340 0.300 1
507 50 50 ALA CA C 56.155 0.300 1
508 50 50 ALA CB C 19.306 0.300 1
509 50 50 ALA N N 124.173 0.300 1
510 51 51 VAL H H 8.110 0.030 1
511 51 51 VAL HA H 3.272 0.030 1
512 51 51 VAL HB H 2.185 0.030 1
513 51 51 VAL HG1 H 0.597 0.030 1
514 51 51 VAL HG2 H 1.070 0.030 1
515 51 51 VAL C C 178.376 0.300 1
516 51 51 VAL CA C 67.104 0.300 1
517 51 51 VAL CB C 32.012 0.300 1
518 51 51 VAL CG1 C 21.699 0.300 2
519 51 51 VAL CG2 C 23.632 0.300 2
520 51 51 VAL N N 118.421 0.300 1
521 52 52 LYS H H 7.533 0.030 1
522 52 52 LYS HA H 3.793 0.030 1
523 52 52 LYS HB2 H 2.014 0.030 2
524 52 52 LYS HB3 H 1.927 0.030 2
525 52 52 LYS HG2 H 1.803 0.030 2
526 52 52 LYS HG3 H 1.502 0.030 2
527 52 52 LYS HD2 H 1.753 0.030 1
528 52 52 LYS HD3 H 1.753 0.030 1
529 52 52 LYS HE2 H 2.974 0.030 1
530 52 52 LYS HE3 H 2.974 0.030 1
531 52 52 LYS C C 179.942 0.300 1
532 52 52 LYS CA C 60.439 0.300 1
533 52 52 LYS CB C 32.648 0.300 1
534 52 52 LYS CG C 26.101 0.300 1
535 52 52 LYS CD C 29.727 0.300 1
536 52 52 LYS CE C 42.125 0.300 1
537 52 52 LYS N N 117.552 0.300 1
538 53 53 ARG H H 8.374 0.030 1
539 53 53 ARG HA H 4.013 0.030 1
540 53 53 ARG HB2 H 1.926 0.030 2
541 53 53 ARG HB3 H 1.823 0.030 2
542 53 53 ARG HG2 H 1.833 0.030 2
543 53 53 ARG HG3 H 1.556 0.030 2
544 53 53 ARG HD2 H 3.133 0.030 1
545 53 53 ARG HD3 H 3.133 0.030 1
546 53 53 ARG HE H 7.183 0.030 1
547 53 53 ARG C C 179.986 0.300 1
548 53 53 ARG CA C 59.617 0.300 1
549 53 53 ARG CB C 30.481 0.300 1
550 53 53 ARG CG C 27.749 0.300 1
551 53 53 ARG CD C 44.447 0.300 1
552 53 53 ARG N N 120.246 0.300 1
553 53 53 ARG NE N 84.614 0.300 1
554 54 54 LEU H H 8.410 0.030 1
555 54 54 LEU HA H 3.975 0.030 1
556 54 54 LEU HB2 H 1.626 0.030 2
557 54 54 LEU HB3 H 1.057 0.030 2
558 54 54 LEU HG H 1.389 0.030 1
559 54 54 LEU HD1 H 0.316 0.030 1
560 54 54 LEU HD2 H 0.543 0.030 1
561 54 54 LEU C C 180.816 0.300 1
562 54 54 LEU CA C 57.689 0.300 1
563 54 54 LEU CB C 41.764 0.300 1
564 54 54 LEU CG C 27.134 0.300 1
565 54 54 LEU CD1 C 25.891 0.300 2
566 54 54 LEU CD2 C 22.623 0.300 2
567 54 54 LEU N N 120.642 0.300 1
568 55 55 LYS H H 8.529 0.030 1
569 55 55 LYS HA H 3.939 0.030 1
570 55 55 LYS HB2 H 1.736 0.030 1
571 55 55 LYS HB3 H 1.736 0.030 1
572 55 55 LYS HG2 H 1.344 0.030 2
573 55 55 LYS HG3 H 1.267 0.030 2
574 55 55 LYS HD2 H 1.190 0.030 1
575 55 55 LYS HD3 H 1.190 0.030 1
576 55 55 LYS HE2 H 2.424 0.030 2
577 55 55 LYS HE3 H 2.237 0.030 2
578 55 55 LYS C C 178.485 0.300 1
579 55 55 LYS CA C 59.099 0.300 1
580 55 55 LYS CB C 31.963 0.300 1
581 55 55 LYS CG C 25.030 0.300 1
582 55 55 LYS CD C 28.903 0.300 1
583 55 55 LYS CE C 41.113 0.300 1
584 55 55 LYS N N 121.025 0.300 1
585 56 56 ALA H H 7.674 0.030 1
586 56 56 ALA HA H 4.267 0.030 1
587 56 56 ALA HB H 1.511 0.030 1
588 56 56 ALA C C 178.995 0.300 1
589 56 56 ALA CA C 53.843 0.300 1
590 56 56 ALA CB C 18.868 0.300 1
591 56 56 ALA N N 120.286 0.300 1
592 57 57 THR H H 7.557 0.030 1
593 57 57 THR HA H 4.248 0.030 1
594 57 57 THR HB H 4.297 0.030 1
595 57 57 THR HG2 H 1.364 0.030 1
596 57 57 THR C C 176.385 0.300 1
597 57 57 THR CA C 63.295 0.300 1
598 57 57 THR CB C 70.516 0.300 1
599 57 57 THR CG2 C 21.479 0.300 1
600 57 57 THR N N 108.033 0.300 1
601 58 58 GLY H H 7.788 0.030 1
602 58 58 GLY HA2 H 4.011 0.030 2
603 58 58 GLY HA3 H 3.822 0.030 2
604 58 58 GLY C C 174.564 0.300 1
605 58 58 GLY CA C 46.036 0.300 1
606 58 58 GLY N N 109.053 0.300 1
607 59 59 LYS H H 7.846 0.030 1
608 59 59 LYS HA H 4.203 0.030 1
609 59 59 LYS HB2 H 1.739 0.030 2
610 59 59 LYS HB3 H 1.667 0.030 2
611 59 59 LYS HG2 H 1.380 0.030 1
612 59 59 LYS HG3 H 1.380 0.030 1
613 59 59 LYS HD2 H 1.705 0.030 1
614 59 59 LYS HD3 H 1.705 0.030 1
615 59 59 LYS HE2 H 2.992 0.030 1
616 59 59 LYS HE3 H 2.992 0.030 1
617 59 59 LYS C C 176.883 0.300 1
618 59 59 LYS CA C 56.226 0.300 1
619 59 59 LYS CB C 32.752 0.300 1
620 59 59 LYS CG C 25.030 0.300 1
621 59 59 LYS CD C 29.465 0.300 1
622 59 59 LYS CE C 42.252 0.300 1
623 59 59 LYS N N 120.828 0.300 1
624 60 60 LYS H H 8.431 0.030 1
625 60 60 LYS HA H 4.188 0.030 1
626 60 60 LYS HB2 H 1.761 0.030 1
627 60 60 LYS HB3 H 1.761 0.030 1
628 60 60 LYS HG2 H 1.496 0.030 1
629 60 60 LYS HG3 H 1.496 0.030 1
630 60 60 LYS HD2 H 2.016 0.030 1
631 60 60 LYS HD3 H 2.016 0.030 1
632 60 60 LYS HE2 H 3.040 0.030 1
633 60 60 LYS HE3 H 3.040 0.030 1
634 60 60 LYS C C 176.336 0.300 1
635 60 60 LYS CA C 56.473 0.300 1
636 60 60 LYS CB C 32.670 0.300 1
637 60 60 LYS CG C 24.877 0.300 1
638 60 60 LYS CD C 29.232 0.300 1
639 60 60 LYS CE C 42.087 0.300 1
640 60 60 LYS N N 123.589 0.300 1
641 61 61 ALA H H 8.444 0.030 1
642 61 61 ALA HA H 4.366 0.030 1
643 61 61 ALA HB H 1.186 0.030 1
644 61 61 ALA C C 177.053 0.300 1
645 61 61 ALA CA C 51.607 0.300 1
646 61 61 ALA CB C 20.671 0.300 1
647 61 61 ALA N N 127.535 0.300 1
648 62 62 VAL H H 7.962 0.030 1
649 62 62 VAL HA H 4.346 0.030 1
650 62 62 VAL HB H 2.183 0.030 1
651 62 62 VAL HG1 H 1.130 0.030 1
652 62 62 VAL HG2 H 1.152 0.030 1
653 62 62 VAL C C 176.372 0.300 1
654 62 62 VAL CA C 61.497 0.300 1
655 62 62 VAL CB C 34.898 0.300 1
656 62 62 VAL CG1 C 21.492 0.300 2
657 62 62 VAL CG2 C 21.320 0.300 2
658 62 62 VAL N N 120.202 0.300 1
659 63 63 LYS H H 8.880 0.030 1
660 63 63 LYS HA H 4.519 0.030 1
661 63 63 LYS HB2 H 1.998 0.030 2
662 63 63 LYS HB3 H 1.824 0.030 2
663 63 63 LYS HG2 H 1.598 0.030 2
664 63 63 LYS HG3 H 1.469 0.030 2
665 63 63 LYS HD2 H 1.785 0.030 1
666 63 63 LYS HD3 H 1.785 0.030 1
667 63 63 LYS HE2 H 3.046 0.030 2
668 63 63 LYS HE3 H 2.883 0.030 2
669 63 63 LYS C C 176.142 0.300 1
670 63 63 LYS CA C 57.936 0.300 1
671 63 63 LYS CB C 31.887 0.300 1
672 63 63 LYS CG C 25.496 0.300 1
673 63 63 LYS CD C 29.232 0.300 1
674 63 63 LYS CE C 42.080 0.300 1
675 63 63 LYS N N 128.265 0.300 1
676 64 64 ALA H H 9.366 0.030 1
677 64 64 ALA HA H 5.396 0.030 1
678 64 64 ALA HB H 1.267 0.030 1
679 64 64 ALA C C 175.086 0.300 1
680 64 64 ALA CA C 51.431 0.300 1
681 64 64 ALA CB C 24.778 0.300 1
682 64 64 ALA N N 129.786 0.300 1
683 65 65 VAL H H 9.018 0.030 1
684 65 65 VAL HA H 4.496 0.030 1
685 65 65 VAL HB H 1.961 0.030 1
686 65 65 VAL HG1 H 0.264 0.030 1
687 65 65 VAL HG2 H 0.885 0.030 1
688 65 65 VAL C C 174.454 0.300 1
689 65 65 VAL CA C 62.184 0.300 1
690 65 65 VAL CB C 34.786 0.300 1
691 65 65 VAL CG1 C 21.663 0.300 2
692 65 65 VAL CG2 C 21.874 0.300 2
693 65 65 VAL N N 120.913 0.300 1
694 66 66 LEU H H 8.863 0.030 1
695 66 66 LEU HA H 5.119 0.030 1
696 66 66 LEU HB2 H 1.872 0.030 2
697 66 66 LEU HB3 H 1.063 0.030 2
698 66 66 LEU HG H 1.285 0.030 1
699 66 66 LEU HD1 H 0.611 0.030 1
700 66 66 LEU HD2 H 0.200 0.030 1
701 66 66 LEU C C 174.309 0.300 1
702 66 66 LEU CA C 53.388 0.300 1
703 66 66 LEU CB C 44.866 0.300 1
704 66 66 LEU CG C 27.500 0.300 1
705 66 66 LEU CD1 C 23.556 0.300 2
706 66 66 LEU CD2 C 25.737 0.300 2
707 66 66 LEU N N 128.931 0.300 1
708 67 67 TRP H H 9.807 0.030 1
709 67 67 TRP HA H 4.648 0.030 1
710 67 67 TRP HB2 H 3.264 0.030 2
711 67 67 TRP HB3 H 3.072 0.030 2
712 67 67 TRP HD1 H 6.964 0.030 1
713 67 67 TRP HE1 H 10.055 0.030 1
714 67 67 TRP HE3 H 7.394 0.030 1
715 67 67 TRP HZ2 H 7.396 0.030 1
716 67 67 TRP HH2 H 7.122 0.030 1
717 67 67 TRP C C 176.101 0.300 1
718 67 67 TRP CA C 55.006 0.300 1
719 67 67 TRP CB C 30.012 0.300 1
720 67 67 TRP CD1 C 125.685 0.300 1
721 67 67 TRP CE3 C 120.877 0.300 1
722 67 67 TRP CZ2 C 114.303 0.300 1
723 67 67 TRP CZ3 C 121.680 0.300 1
724 67 67 TRP CH2 C 124.687 0.300 1
725 67 67 TRP N N 129.061 0.300 1
726 67 67 TRP NE1 N 129.006 0.300 1
727 68 68 VAL H H 8.078 0.030 1
728 68 68 VAL HA H 4.398 0.030 1
729 68 68 VAL HB H 1.886 0.030 1
730 68 68 VAL HG1 H 0.652 0.030 1
731 68 68 VAL HG2 H 0.714 0.030 1
732 68 68 VAL C C 173.726 0.300 1
733 68 68 VAL CA C 61.799 0.300 1
734 68 68 VAL CB C 33.688 0.300 1
735 68 68 VAL CG1 C 22.200 0.300 2
736 68 68 VAL CG2 C 20.330 0.300 2
737 68 68 VAL N N 122.200 0.300 1
738 69 69 SER H H 8.516 0.030 1
739 69 69 SER HA H 5.374 0.030 1
740 69 69 SER HB2 H 4.366 0.030 2
741 69 69 SER HB3 H 4.047 0.030 2
742 69 69 SER C C 173.422 0.300 1
743 69 69 SER CA C 56.614 0.300 1
744 69 69 SER CB C 67.217 0.300 1
745 69 69 SER N N 122.119 0.300 1
746 70 70 ALA H H 8.328 0.030 1
747 70 70 ALA HA H 4.066 0.030 1
748 70 70 ALA HB H 1.332 0.030 1
749 70 70 ALA C C 176.591 0.300 1
750 70 70 ALA CA C 54.146 0.300 1
751 70 70 ALA CB C 18.858 0.300 1
752 70 70 ALA N N 120.631 0.300 1
753 71 71 ASP H H 7.909 0.030 1
754 71 71 ASP HA H 4.736 0.030 1
755 71 71 ASP HB2 H 2.730 0.030 2
756 71 71 ASP HB3 H 2.446 0.030 2
757 71 71 ASP C C 177.113 0.300 1
758 71 71 ASP CA C 54.409 0.300 1
759 71 71 ASP CB C 42.128 0.300 1
760 71 71 ASP N N 111.425 0.300 1
761 72 72 GLY H H 7.661 0.030 1
762 72 72 GLY HA2 H 4.713 0.030 2
763 72 72 GLY HA3 H 3.729 0.030 2
764 72 72 GLY C C 170.861 0.300 1
765 72 72 GLY CA C 45.935 0.300 1
766 72 72 GLY N N 108.370 0.300 1
767 73 73 LEU H H 8.613 0.030 1
768 73 73 LEU HA H 5.406 0.030 1
769 73 73 LEU HB2 H 1.505 0.030 2
770 73 73 LEU HB3 H 1.212 0.030 2
771 73 73 LEU HG H 1.393 0.030 1
772 73 73 LEU HD1 H 0.310 0.030 1
773 73 73 LEU HD2 H 0.707 0.030 1
774 73 73 LEU C C 175.705 0.300 1
775 73 73 LEU CA C 52.795 0.300 1
776 73 73 LEU CB C 43.638 0.300 1
777 73 73 LEU CG C 27.552 0.300 1
778 73 73 LEU CD1 C 25.323 0.300 2
779 73 73 LEU CD2 C 25.937 0.300 2
780 73 73 LEU N N 118.214 0.300 1
781 74 74 ARG H H 8.764 0.030 1
782 74 74 ARG HA H 5.185 0.030 1
783 74 74 ARG HB2 H 1.670 0.030 1
784 74 74 ARG HB3 H 1.670 0.030 1
785 74 74 ARG HG2 H 1.586 0.030 1
786 74 74 ARG HG3 H 1.586 0.030 1
787 74 74 ARG HD2 H 2.927 0.030 1
788 74 74 ARG HD3 H 2.927 0.030 1
789 74 74 ARG HE H 6.919 0.030 1
790 74 74 ARG C C 174.758 0.300 1
791 74 74 ARG CA C 54.857 0.300 1
792 74 74 ARG CB C 34.339 0.300 1
793 74 74 ARG CG C 28.442 0.300 1
794 74 74 ARG CD C 43.323 0.300 1
795 74 74 ARG N N 121.423 0.300 1
796 74 74 ARG NE N 83.947 0.300 1
797 75 75 VAL H H 8.953 0.030 1
798 75 75 VAL HA H 5.084 0.030 1
799 75 75 VAL HB H 1.853 0.030 1
800 75 75 VAL HG1 H 0.639 0.030 1
801 75 75 VAL HG2 H 0.914 0.030 1
802 75 75 VAL C C 174.758 0.300 1
803 75 75 VAL CA C 61.054 0.300 1
804 75 75 VAL CB C 32.711 0.300 1
805 75 75 VAL CG1 C 22.072 0.300 2
806 75 75 VAL CG2 C 21.816 0.300 2
807 75 75 VAL N N 123.581 0.300 1
808 76 76 VAL H H 9.156 0.030 1
809 76 76 VAL HA H 4.800 0.030 1
810 76 76 VAL HB H 2.057 0.030 1
811 76 76 VAL HG1 H 0.826 0.030 1
812 76 76 VAL HG2 H 0.936 0.030 1
813 76 76 VAL C C 175.777 0.300 1
814 76 76 VAL CA C 60.391 0.300 1
815 76 76 VAL CB C 34.934 0.300 1
816 76 76 VAL CG1 C 20.992 0.300 2
817 76 76 VAL CG2 C 21.169 0.300 2
818 76 76 VAL N N 127.110 0.300 1
819 77 77 ASP H H 9.013 0.030 1
820 77 77 ASP HA H 4.371 0.030 1
821 77 77 ASP HB2 H 3.074 0.030 2
822 77 77 ASP HB3 H 2.566 0.030 2
823 77 77 ASP C C 177.619 0.300 1
824 77 77 ASP CA C 55.958 0.300 1
825 77 77 ASP CB C 43.861 0.300 1
826 77 77 ASP N N 127.815 0.300 1
827 78 78 GLU H H 8.539 0.030 1
828 78 78 GLU HA H 4.058 0.030 1
829 78 78 GLU HB2 H 1.903 0.030 2
830 78 78 GLU HB3 H 1.818 0.030 2
831 78 78 GLU HG2 H 2.192 0.030 1
832 78 78 GLU HG3 H 2.192 0.030 1
833 78 78 GLU C C 176.554 0.300 1
834 78 78 GLU CA C 59.541 0.300 1
835 78 78 GLU CB C 30.619 0.300 1
836 78 78 GLU CG C 36.319 0.300 1
837 78 78 GLU N N 128.059 0.300 1
838 79 79 LYS H H 8.649 0.030 1
839 79 79 LYS HA H 4.304 0.030 1
840 79 79 LYS HB2 H 2.039 0.030 1
841 79 79 LYS HB3 H 2.039 0.030 1
842 79 79 LYS HG2 H 1.546 0.030 2
843 79 79 LYS HG3 H 1.413 0.030 2
844 79 79 LYS HD2 H 1.785 0.030 1
845 79 79 LYS HD3 H 1.785 0.030 1
846 79 79 LYS HE2 H 3.034 0.030 2
847 79 79 LYS HE3 H 2.976 0.030 2
848 79 79 LYS C C 178.740 0.300 1
849 79 79 LYS CA C 58.447 0.300 1
850 79 79 LYS CB C 33.289 0.300 1
851 79 79 LYS CG C 24.934 0.300 1
852 79 79 LYS CD C 29.141 0.300 1
853 79 79 LYS CE C 42.250 0.300 1
854 79 79 LYS N N 118.113 0.300 1
855 80 80 THR H H 8.516 0.030 1
856 80 80 THR HA H 4.262 0.030 1
857 80 80 THR HB H 4.356 0.030 1
858 80 80 THR HG2 H 1.238 0.030 1
859 80 80 THR C C 176.142 0.300 1
860 80 80 THR CA C 62.294 0.300 1
861 80 80 THR CB C 70.784 0.300 1
862 80 80 THR CG2 C 21.556 0.300 1
863 80 80 THR N N 108.288 0.300 1
864 81 81 LYS H H 7.879 0.030 1
865 81 81 LYS HA H 4.046 0.030 1
866 81 81 LYS HB2 H 2.246 0.030 2
867 81 81 LYS HB3 H 2.011 0.030 2
868 81 81 LYS HG2 H 1.405 0.030 2
869 81 81 LYS HG3 H 1.318 0.030 2
870 81 81 LYS HD2 H 1.694 0.030 2
871 81 81 LYS HD3 H 1.590 0.030 2
872 81 81 LYS C C 175.232 0.300 1
873 81 81 LYS CA C 57.654 0.300 1
874 81 81 LYS CB C 28.939 0.300 1
875 81 81 LYS CG C 25.240 0.300 1
876 81 81 LYS CD C 28.666 0.300 1
877 81 81 LYS N N 114.040 0.300 1
878 82 82 ASP H H 7.921 0.030 1
879 82 82 ASP HA H 4.520 0.030 1
880 82 82 ASP HB2 H 2.532 0.030 2
881 82 82 ASP HB3 H 2.446 0.030 2
882 82 82 ASP C C 175.693 0.300 1
883 82 82 ASP CA C 54.833 0.300 1
884 82 82 ASP CB C 41.593 0.300 1
885 82 82 ASP N N 119.021 0.300 1
886 83 83 LEU H H 8.522 0.030 1
887 83 83 LEU HA H 4.366 0.030 1
888 83 83 LEU HB2 H 1.668 0.030 2
889 83 83 LEU HB3 H 1.527 0.030 2
890 83 83 LEU HG H 1.408 0.030 1
891 83 83 LEU HD1 H 0.833 0.030 1
892 83 83 LEU HD2 H 0.840 0.030 1
893 83 83 LEU C C 176.543 0.300 1
894 83 83 LEU CA C 55.345 0.300 1
895 83 83 LEU CB C 41.839 0.300 1
896 83 83 LEU CG C 27.130 0.300 1
897 83 83 LEU CD1 C 25.719 0.300 2
898 83 83 LEU CD2 C 24.339 0.300 2
899 83 83 LEU N N 123.336 0.300 1
900 84 84 ILE H H 8.960 0.030 1
901 84 84 ILE HA H 4.087 0.030 1
902 84 84 ILE HB H 1.521 0.030 1
903 84 84 ILE HG12 H 1.532 0.030 2
904 84 84 ILE HG13 H 1.107 0.030 2
905 84 84 ILE HG2 H 0.935 0.030 1
906 84 84 ILE HD1 H 0.866 0.030 1
907 84 84 ILE C C 176.543 0.300 1
908 84 84 ILE CA C 63.538 0.300 1
909 84 84 ILE CB C 39.229 0.300 1
910 84 84 ILE CG1 C 27.445 0.300 1
911 84 84 ILE CG2 C 18.002 0.300 1
912 84 84 ILE CD1 C 14.015 0.300 1
913 84 84 ILE N N 126.654 0.300 1
914 85 85 VAL H H 7.332 0.030 1
915 85 85 VAL HA H 4.155 0.030 1
916 85 85 VAL HB H 1.654 0.030 1
917 85 85 VAL HG1 H 0.718 0.030 1
918 85 85 VAL HG2 H 0.688 0.030 1
919 85 85 VAL C C 173.241 0.300 1
920 85 85 VAL CA C 61.885 0.300 1
921 85 85 VAL CB C 36.235 0.300 1
922 85 85 VAL CG1 C 20.992 0.300 1
923 85 85 VAL CG2 C 20.992 0.300 1
924 85 85 VAL N N 116.481 0.300 1
925 86 86 ASP H H 8.572 0.030 1
926 86 86 ASP HA H 4.992 0.030 1
927 86 86 ASP HB2 H 2.833 0.030 2
928 86 86 ASP HB3 H 2.376 0.030 2
929 86 86 ASP C C 174.248 0.300 1
930 86 86 ASP CA C 53.247 0.300 1
931 86 86 ASP CB C 42.353 0.300 1
932 86 86 ASP N N 126.757 0.300 1
933 87 87 GLN H H 8.778 0.030 1
934 87 87 GLN HA H 4.583 0.030 1
935 87 87 GLN HB2 H 2.073 0.030 2
936 87 87 GLN HB3 H 1.929 0.030 2
937 87 87 GLN HG2 H 1.935 0.030 2
938 87 87 GLN HG3 H 1.876 0.030 2
939 87 87 GLN HE21 H 7.649 0.030 2
940 87 87 GLN HE22 H 7.385 0.030 2
941 87 87 GLN C C 175.426 0.300 1
942 87 87 GLN CA C 53.793 0.300 1
943 87 87 GLN CB C 32.832 0.300 1
944 87 87 GLN CG C 33.780 0.300 1
945 87 87 GLN N N 123.675 0.300 1
946 87 87 GLN NE2 N 115.129 0.300 1
947 88 88 THR H H 8.771 0.030 1
948 88 88 THR HA H 4.653 0.030 1
949 88 88 THR HB H 4.444 0.030 1
950 88 88 THR HG2 H 1.378 0.030 1
951 88 88 THR C C 177.357 0.300 1
952 88 88 THR CA C 61.983 0.300 1
953 88 88 THR CB C 68.916 0.300 1
954 88 88 THR CG2 C 22.228 0.300 1
955 88 88 THR N N 122.718 0.300 1
956 89 89 ILE H H 8.543 0.030 1
957 89 89 ILE HA H 3.919 0.030 1
958 89 89 ILE HB H 1.618 0.030 1
959 89 89 ILE HG12 H 1.410 0.030 2
960 89 89 ILE HG13 H 1.209 0.030 2
961 89 89 ILE HG2 H 0.980 0.030 1
962 89 89 ILE HD1 H 0.669 0.030 1
963 89 89 ILE C C 176.970 0.300 1
964 89 89 ILE CA C 61.474 0.300 1
965 89 89 ILE CB C 38.314 0.300 1
966 89 89 ILE CG1 C 28.753 0.300 1
967 89 89 ILE CG2 C 19.097 0.300 1
968 89 89 ILE CD1 C 12.296 0.300 1
969 89 89 ILE N N 128.362 0.300 1
970 90 90 GLU H H 9.008 0.030 1
971 90 90 GLU HA H 4.182 0.030 1
972 90 90 GLU HB2 H 2.102 0.030 2
973 90 90 GLU HB3 H 2.040 0.030 2
974 90 90 GLU HG2 H 2.343 0.030 1
975 90 90 GLU HG3 H 2.343 0.030 1
976 90 90 GLU C C 177.223 0.300 1
977 90 90 GLU CA C 59.064 0.300 1
978 90 90 GLU CB C 29.111 0.300 1
979 90 90 GLU CG C 37.020 0.300 1
980 90 90 GLU N N 118.946 0.300 1
981 91 91 LYS H H 7.063 0.030 1
982 91 91 LYS HA H 4.537 0.030 1
983 91 91 LYS HB2 H 2.484 0.030 2
984 91 91 LYS HB3 H 1.618 0.030 2
985 91 91 LYS HG2 H 1.557 0.030 2
986 91 91 LYS HG3 H 1.421 0.030 2
987 91 91 LYS HD2 H 1.805 0.030 2
988 91 91 LYS HD3 H 1.691 0.030 2
989 91 91 LYS HE2 H 3.038 0.030 1
990 91 91 LYS HE3 H 3.038 0.030 1
991 91 91 LYS C C 176.410 0.300 1
992 91 91 LYS CA C 55.714 0.300 1
993 91 91 LYS CB C 33.371 0.300 1
994 91 91 LYS CG C 26.141 0.300 1
995 91 91 LYS CD C 28.875 0.300 1
996 91 91 LYS CE C 42.252 0.300 1
997 91 91 LYS N N 114.768 0.300 1
998 92 92 VAL H H 7.809 0.030 1
999 92 92 VAL HA H 4.385 0.030 1
1000 92 92 VAL HB H 2.490 0.030 1
1001 92 92 VAL HG1 H 1.022 0.030 1
1002 92 92 VAL HG2 H 0.821 0.030 1
1003 92 92 VAL C C 175.074 0.300 1
1004 92 92 VAL CA C 63.637 0.300 1
1005 92 92 VAL CB C 31.754 0.300 1
1006 92 92 VAL CG1 C 21.853 0.300 2
1007 92 92 VAL CG2 C 22.496 0.300 2
1008 92 92 VAL N N 122.872 0.300 1
1009 93 93 SER H H 9.479 0.030 1
1010 93 93 SER HA H 4.545 0.030 1
1011 93 93 SER HB2 H 3.927 0.030 2
1012 93 93 SER HB3 H 3.822 0.030 2
1013 93 93 SER C C 176.215 0.300 1
1014 93 93 SER CA C 59.434 0.300 1
1015 93 93 SER CB C 64.516 0.300 1
1016 93 93 SER N N 122.952 0.300 1
1017 94 94 PHE H H 7.756 0.030 1
1018 94 94 PHE HA H 4.851 0.030 1
1019 94 94 PHE HB2 H 3.792 0.030 2
1020 94 94 PHE HB3 H 2.499 0.030 2
1021 94 94 PHE HD1 H 7.154 0.030 1
1022 94 94 PHE HD2 H 7.154 0.030 1
1023 94 94 PHE HE1 H 7.302 0.030 1
1024 94 94 PHE HE2 H 7.302 0.030 1
1025 94 94 PHE HZ H 7.335 0.030 1
1026 94 94 PHE C C 173.058 0.300 1
1027 94 94 PHE CA C 58.342 0.300 1
1028 94 94 PHE CB C 44.147 0.300 1
1029 94 94 PHE CD1 C 129.653 0.300 1
1030 94 94 PHE CD2 C 129.653 0.300 1
1031 94 94 PHE CE1 C 130.205 0.300 1
1032 94 94 PHE CE2 C 130.205 0.300 1
1033 94 94 PHE CZ C 131.232 0.300 1
1034 94 94 PHE N N 121.371 0.300 1
1035 95 95 CYS H H 7.640 0.030 1
1036 95 95 CYS HA H 5.154 0.030 1
1037 95 95 CYS HB2 H 3.198 0.030 2
1038 95 95 CYS HB3 H 2.698 0.030 2
1039 95 95 CYS C C 170.667 0.300 1
1040 95 95 CYS CA C 56.811 0.300 1
1041 95 95 CYS CB C 31.077 0.300 1
1042 95 95 CYS N N 122.238 0.300 1
1043 96 96 ALA H H 8.521 0.030 1
1044 96 96 ALA HA H 4.750 0.030 1
1045 96 96 ALA HB H 1.491 0.030 1
1046 96 96 ALA CA C 55.350 0.300 1
1047 96 96 ALA CB C 22.451 0.300 1
1048 96 96 ALA N N 121.875 0.300 1
1049 97 97 PRO HA H 5.159 0.030 1
1050 97 97 PRO HB2 H 2.435 0.030 2
1051 97 97 PRO HB3 H 1.849 0.030 2
1052 97 97 PRO HG2 H 2.076 0.030 1
1053 97 97 PRO HG3 H 2.076 0.030 1
1054 97 97 PRO HD2 H 3.794 0.030 2
1055 97 97 PRO HD3 H 3.620 0.030 2
1056 97 97 PRO C C 173.861 0.300 1
1057 97 97 PRO CA C 62.236 0.300 1
1058 97 97 PRO CB C 30.834 0.300 1
1059 97 97 PRO CG C 26.299 0.300 1
1060 97 97 PRO CD C 49.666 0.300 1
1061 98 98 ASP H H 8.880 0.030 1
1062 98 98 ASP HA H 4.787 0.030 1
1063 98 98 ASP HB2 H 3.546 0.030 2
1064 98 98 ASP HB3 H 2.497 0.030 2
1065 98 98 ASP C C 176.883 0.300 1
1066 98 98 ASP CA C 54.586 0.300 1
1067 98 98 ASP CB C 47.500 0.300 1
1068 98 98 ASP N N 123.407 0.300 1
1069 99 99 ARG H H 8.882 0.030 1
1070 99 99 ARG HA H 4.131 0.030 1
1071 99 99 ARG HB2 H 1.830 0.030 1
1072 99 99 ARG HB3 H 1.830 0.030 1
1073 99 99 ARG HG2 H 1.727 0.030 1
1074 99 99 ARG HG3 H 1.727 0.030 1
1075 99 99 ARG HD2 H 3.116 0.030 1
1076 99 99 ARG HD3 H 3.116 0.030 1
1077 99 99 ARG C C 176.579 0.300 1
1078 99 99 ARG CA C 58.108 0.300 1
1079 99 99 ARG CB C 30.404 0.300 1
1080 99 99 ARG CG C 26.678 0.300 1
1081 99 99 ARG CD C 43.323 0.300 1
1082 99 99 ARG N N 124.471 0.300 1
1083 100 100 ASN H H 9.481 0.030 1
1084 100 100 ASN HA H 4.504 0.030 1
1085 100 100 ASN HB2 H 2.763 0.030 2
1086 100 100 ASN HB3 H 1.941 0.030 2
1087 100 100 ASN HD21 H 8.583 0.030 2
1088 100 100 ASN HD22 H 6.896 0.030 2
1089 100 100 ASN C C 175.313 0.300 1
1090 100 100 ASN CA C 54.428 0.300 1
1091 100 100 ASN CB C 39.627 0.300 1
1092 100 100 ASN N N 117.926 0.300 1
1093 100 100 ASN ND2 N 117.185 0.300 1
1094 101 101 PHE H H 8.575 0.030 1
1095 101 101 PHE HA H 4.902 0.030 1
1096 101 101 PHE HB2 H 3.262 0.030 2
1097 101 101 PHE HB3 H 2.848 0.030 2
1098 101 101 PHE HD1 H 7.368 0.030 1
1099 101 101 PHE HD2 H 7.368 0.030 1
1100 101 101 PHE HE1 H 7.267 0.030 1
1101 101 101 PHE HE2 H 7.267 0.030 1
1102 101 101 PHE HZ H 7.338 0.030 1
1103 101 101 PHE C C 176.021 0.300 1
1104 101 101 PHE CA C 56.490 0.300 1
1105 101 101 PHE CB C 40.292 0.300 1
1106 101 101 PHE CD1 C 132.851 0.300 1
1107 101 101 PHE CD2 C 132.851 0.300 1
1108 101 101 PHE CE1 C 129.461 0.300 1
1109 101 101 PHE CE2 C 129.461 0.300 1
1110 101 101 PHE CZ C 131.350 0.300 1
1111 101 101 PHE N N 120.697 0.300 1
1112 102 102 ASP H H 8.889 0.030 1
1113 102 102 ASP HA H 4.601 0.030 1
1114 102 102 ASP HB2 H 2.962 0.030 2
1115 102 102 ASP HB3 H 2.813 0.030 2
1116 102 102 ASP C C 175.134 0.300 1
1117 102 102 ASP CA C 57.125 0.300 1
1118 102 102 ASP CB C 40.497 0.300 1
1119 102 102 ASP N N 125.126 0.300 1
1120 103 103 ARG H H 8.434 0.030 1
1121 103 103 ARG HA H 4.559 0.030 1
1122 103 103 ARG HB2 H 2.537 0.030 2
1123 103 103 ARG HB3 H 1.863 0.030 2
1124 103 103 ARG HG2 H 1.826 0.030 2
1125 103 103 ARG HG3 H 1.779 0.030 2
1126 103 103 ARG HD2 H 3.172 0.030 1
1127 103 103 ARG HD3 H 3.172 0.030 1
1128 103 103 ARG HE H 7.133 0.030 1
1129 103 103 ARG C C 175.887 0.300 1
1130 103 103 ARG CA C 56.459 0.300 1
1131 103 103 ARG CB C 30.541 0.300 1
1132 103 103 ARG CG C 27.889 0.300 1
1133 103 103 ARG CD C 43.285 0.300 1
1134 103 103 ARG N N 116.276 0.300 1
1135 103 103 ARG NE N 86.185 0.300 1
1136 104 104 ALA H H 7.920 0.030 1
1137 104 104 ALA HA H 5.588 0.030 1
1138 104 104 ALA HB H 1.651 0.030 1
1139 104 104 ALA C C 177.150 0.300 1
1140 104 104 ALA CA C 52.189 0.300 1
1141 104 104 ALA CB C 21.069 0.300 1
1142 104 104 ALA N N 122.220 0.300 1
1143 105 105 PHE H H 8.929 0.030 1
1144 105 105 PHE HA H 5.046 0.030 1
1145 105 105 PHE HB2 H 3.274 0.030 2
1146 105 105 PHE HB3 H 2.527 0.030 2
1147 105 105 PHE HD1 H 6.809 0.030 1
1148 105 105 PHE HD2 H 6.809 0.030 1
1149 105 105 PHE HE1 H 6.790 0.030 1
1150 105 105 PHE HE2 H 6.790 0.030 1
1151 105 105 PHE HZ H 6.763 0.030 1
1152 105 105 PHE C C 172.099 0.300 1
1153 105 105 PHE CA C 57.219 0.300 1
1154 105 105 PHE CB C 44.207 0.300 1
1155 105 105 PHE CD1 C 132.241 0.300 1
1156 105 105 PHE CD2 C 132.241 0.300 1
1157 105 105 PHE CE1 C 130.018 0.300 1
1158 105 105 PHE CE2 C 130.018 0.300 1
1159 105 105 PHE CZ C 128.723 0.300 1
1160 105 105 PHE N N 120.875 0.300 1
1161 106 106 SER H H 7.644 0.030 1
1162 106 106 SER HA H 5.623 0.030 1
1163 106 106 SER HB2 H 3.685 0.030 2
1164 106 106 SER HB3 H 3.332 0.030 2
1165 106 106 SER C C 172.038 0.300 1
1166 106 106 SER CA C 57.443 0.300 1
1167 106 106 SER CB C 67.774 0.300 1
1168 106 106 SER N N 120.128 0.300 1
1169 107 107 TYR H H 8.689 0.030 1
1170 107 107 TYR HA H 5.405 0.030 1
1171 107 107 TYR HB2 H 3.489 0.030 2
1172 107 107 TYR HB3 H 2.638 0.030 2
1173 107 107 TYR HD1 H 6.940 0.030 1
1174 107 107 TYR HD2 H 6.940 0.030 1
1175 107 107 TYR HE1 H 6.617 0.030 1
1176 107 107 TYR HE2 H 6.617 0.030 1
1177 107 107 TYR C C 171.711 0.300 1
1178 107 107 TYR CA C 56.455 0.300 1
1179 107 107 TYR CB C 42.216 0.300 1
1180 107 107 TYR CD1 C 132.979 0.300 1
1181 107 107 TYR CD2 C 132.979 0.300 1
1182 107 107 TYR CE1 C 117.721 0.300 1
1183 107 107 TYR CE2 C 117.721 0.300 1
1184 107 107 TYR N N 115.670 0.300 1
1185 108 108 ILE H H 9.083 0.030 1
1186 108 108 ILE HA H 5.437 0.030 1
1187 108 108 ILE HB H 1.617 0.030 1
1188 108 108 ILE HG12 H 1.686 0.030 1
1189 108 108 ILE HG13 H 1.686 0.030 1
1190 108 108 ILE HG2 H 1.007 0.030 1
1191 108 108 ILE HD1 H 0.565 0.030 1
1192 108 108 ILE C C 175.329 0.300 1
1193 108 108 ILE CA C 59.805 0.300 1
1194 108 108 ILE CB C 40.762 0.300 1
1195 108 108 ILE CG1 C 28.801 0.300 1
1196 108 108 ILE CG2 C 18.826 0.300 1
1197 108 108 ILE CD1 C 13.655 0.300 1
1198 108 108 ILE N N 120.573 0.300 1
1199 109 109 CYS H H 9.800 0.030 1
1200 109 109 CYS HA H 6.019 0.030 1
1201 109 109 CYS HB2 H 3.232 0.030 2
1202 109 109 CYS HB3 H 3.065 0.030 2
1203 109 109 CYS C C 172.415 0.300 1
1204 109 109 CYS CA C 54.727 0.300 1
1205 109 109 CYS CB C 33.584 0.300 1
1206 109 109 CYS N N 121.560 0.300 1
1207 110 110 ARG H H 8.514 0.030 1
1208 110 110 ARG HA H 4.428 0.030 1
1209 110 110 ARG HB2 H 1.722 0.030 2
1210 110 110 ARG HB3 H 1.629 0.030 2
1211 110 110 ARG HG2 H 1.317 0.030 2
1212 110 110 ARG HG3 H 0.932 0.030 2
1213 110 110 ARG HD2 H 2.522 0.030 2
1214 110 110 ARG HD3 H 2.246 0.030 2
1215 110 110 ARG C C 176.174 0.300 1
1216 110 110 ARG CA C 55.054 0.300 1
1217 110 110 ARG CB C 31.681 0.300 1
1218 110 110 ARG CG C 26.560 0.300 1
1219 110 110 ARG CD C 42.760 0.300 1
1220 110 110 ARG N N 120.706 0.300 1
1221 111 111 ASP H H 8.718 0.030 1
1222 111 111 ASP HA H 4.685 0.030 1
1223 111 111 ASP HB2 H 2.735 0.030 2
1224 111 111 ASP HB3 H 2.472 0.030 2
1225 111 111 ASP C C 176.901 0.300 1
1226 111 111 ASP CA C 53.775 0.300 1
1227 111 111 ASP CB C 42.417 0.300 1
1228 111 111 ASP N N 126.594 0.300 1
1229 112 112 GLY H H 8.620 0.030 1
1230 112 112 GLY HA2 H 3.983 0.030 2
1231 112 112 GLY HA3 H 3.861 0.030 2
1232 112 112 GLY C C 175.025 0.300 1
1233 112 112 GLY CA C 46.705 0.300 1
1234 112 112 GLY N N 113.045 0.300 1
1235 113 113 THR H H 8.468 0.030 1
1236 113 113 THR HA H 4.292 0.030 1
1237 113 113 THR HB H 4.353 0.030 1
1238 113 113 THR HG2 H 1.211 0.030 1
1239 113 113 THR C C 175.741 0.300 1
1240 113 113 THR CA C 63.860 0.300 1
1241 113 113 THR CB C 69.010 0.300 1
1242 113 113 THR CG2 C 21.676 0.300 1
1243 113 113 THR N N 114.686 0.300 1
1244 114 114 THR H H 7.954 0.030 1
1245 114 114 THR HA H 4.336 0.030 1
1246 114 114 THR HB H 4.264 0.030 1
1247 114 114 THR HG2 H 1.181 0.030 1
1248 114 114 THR C C 174.552 0.300 1
1249 114 114 THR CA C 61.759 0.300 1
1250 114 114 THR CB C 70.460 0.300 1
1251 114 114 THR CG2 C 21.472 0.300 1
1252 114 114 THR N N 112.215 0.300 1
1253 115 115 ARG H H 8.008 0.030 1
1254 115 115 ARG HA H 3.833 0.030 1
1255 115 115 ARG HB2 H 1.902 0.030 2
1256 115 115 ARG HB3 H 1.843 0.030 2
1257 115 115 ARG HG2 H 1.519 0.030 2
1258 115 115 ARG HG3 H 1.480 0.030 2
1259 115 115 ARG HD2 H 3.157 0.030 1
1260 115 115 ARG HD3 H 3.157 0.030 1
1261 115 115 ARG C C 174.953 0.300 1
1262 115 115 ARG CA C 56.861 0.300 1
1263 115 115 ARG CB C 27.812 0.300 1
1264 115 115 ARG CG C 27.539 0.300 1
1265 115 115 ARG CD C 43.406 0.300 1
1266 115 115 ARG N N 117.372 0.300 1
1267 116 116 ARG H H 7.497 0.030 1
1268 116 116 ARG HA H 4.238 0.030 1
1269 116 116 ARG HB2 H 1.861 0.030 2
1270 116 116 ARG HB3 H 1.582 0.030 2
1271 116 116 ARG HG2 H 1.552 0.030 2
1272 116 116 ARG HG3 H 1.520 0.030 2
1273 116 116 ARG HD2 H 3.180 0.030 2
1274 116 116 ARG HD3 H 3.098 0.030 2
1275 116 116 ARG HE H 7.327 0.030 1
1276 116 116 ARG C C 174.552 0.300 1
1277 116 116 ARG CA C 54.978 0.300 1
1278 116 116 ARG CB C 32.132 0.300 1
1279 116 116 ARG CG C 27.290 0.300 1
1280 116 116 ARG CD C 43.316 0.300 1
1281 116 116 ARG N N 119.100 0.300 1
1282 116 116 ARG NE N 84.952 0.300 1
1283 117 117 TRP H H 8.376 0.030 1
1284 117 117 TRP HA H 5.147 0.030 1
1285 117 117 TRP HB2 H 3.000 0.030 2
1286 117 117 TRP HB3 H 2.778 0.030 2
1287 117 117 TRP HD1 H 6.908 0.030 1
1288 117 117 TRP HE1 H 10.067 0.030 1
1289 117 117 TRP HE3 H 7.329 0.030 1
1290 117 117 TRP HZ2 H 7.453 0.030 1
1291 117 117 TRP HH2 H 7.215 0.030 1
1292 117 117 TRP C C 175.110 0.300 1
1293 117 117 TRP CA C 56.798 0.300 1
1294 117 117 TRP CB C 30.794 0.300 1
1295 117 117 TRP CD1 C 126.605 0.300 1
1296 117 117 TRP CE3 C 120.556 0.300 1
1297 117 117 TRP CZ2 C 114.554 0.300 1
1298 117 117 TRP CZ3 C 122.837 0.300 1
1299 117 117 TRP CH2 C 124.269 0.300 1
1300 117 117 TRP N N 122.347 0.300 1
1301 117 117 TRP NE1 N 128.088 0.300 1
1302 118 118 ILE H H 9.316 0.030 1
1303 118 118 ILE HA H 4.736 0.030 1
1304 118 118 ILE HB H 1.879 0.030 1
1305 118 118 ILE HG12 H 1.354 0.030 2
1306 118 118 ILE HG13 H 1.176 0.030 2
1307 118 118 ILE HG2 H 0.468 0.030 1
1308 118 118 ILE HD1 H 0.625 0.030 1
1309 118 118 ILE C C 173.653 0.300 1
1310 118 118 ILE CA C 58.835 0.300 1
1311 118 118 ILE CB C 40.286 0.300 1
1312 118 118 ILE CG1 C 26.978 0.300 1
1313 118 118 ILE CG2 C 18.266 0.300 1
1314 118 118 ILE CD1 C 11.695 0.300 1
1315 118 118 ILE N N 121.600 0.300 1
1316 119 119 CYS H H 9.210 0.030 1
1317 119 119 CYS HA H 5.478 0.030 1
1318 119 119 CYS HB2 H 2.662 0.030 2
1319 119 119 CYS HB3 H 2.329 0.030 2
1320 119 119 CYS C C 173.544 0.300 1
1321 119 119 CYS CA C 56.578 0.300 1
1322 119 119 CYS CB C 30.322 0.300 1
1323 119 119 CYS N N 126.536 0.300 1
1324 120 120 HIS H H 9.117 0.030 1
1325 120 120 HIS HA H 4.864 0.030 1
1326 120 120 HIS HB2 H 2.694 0.030 2
1327 120 120 HIS HB3 H 1.981 0.030 2
1328 120 120 HIS HD2 H 6.675 0.030 1
1329 120 120 HIS HE1 H 7.431 0.030 1
1330 120 120 HIS C C 175.535 0.300 1
1331 120 120 HIS CA C 55.626 0.300 1
1332 120 120 HIS CB C 34.071 0.300 1
1333 120 120 HIS CD2 C 118.658 0.300 1
1334 120 120 HIS CE1 C 137.446 0.300 1
1335 120 120 HIS N N 128.623 0.300 1
1336 121 121 CYS H H 7.771 0.030 1
1337 121 121 CYS HA H 5.098 0.030 1
1338 121 121 CYS HB2 H 2.758 0.030 2
1339 121 121 CYS HB3 H 1.978 0.030 2
1340 121 121 CYS C C 173.532 0.300 1
1341 121 121 CYS CA C 58.253 0.300 1
1342 121 121 CYS CB C 33.123 0.300 1
1343 121 121 CYS N N 116.973 0.300 1
1344 122 122 PHE H H 9.333 0.030 1
1345 122 122 PHE HA H 5.342 0.030 1
1346 122 122 PHE HB2 H 3.111 0.030 2
1347 122 122 PHE HB3 H 2.864 0.030 2
1348 122 122 PHE HD1 H 7.307 0.030 1
1349 122 122 PHE HD2 H 7.307 0.030 1
1350 122 122 PHE HE1 H 7.298 0.030 1
1351 122 122 PHE HE2 H 7.298 0.030 1
1352 122 122 PHE HZ H 7.164 0.030 1
1353 122 122 PHE C C 174.916 0.300 1
1354 122 122 PHE CA C 56.737 0.300 1
1355 122 122 PHE CB C 43.837 0.300 1
1356 122 122 PHE CD1 C 132.360 0.300 1
1357 122 122 PHE CD2 C 132.360 0.300 1
1358 122 122 PHE CE1 C 131.622 0.300 1
1359 122 122 PHE CE2 C 131.622 0.300 1
1360 122 122 PHE CZ C 128.798 0.300 1
1361 122 122 PHE N N 119.343 0.300 1
1362 123 123 MET H H 9.102 0.030 1
1363 123 123 MET HA H 5.119 0.030 1
1364 123 123 MET HB2 H 1.959 0.030 2
1365 123 123 MET HB3 H 1.818 0.030 2
1366 123 123 MET HG2 H 2.604 0.030 2
1367 123 123 MET HG3 H 2.437 0.030 2
1368 123 123 MET HE H 1.811 0.030 1
1369 123 123 MET C C 175.960 0.300 1
1370 123 123 MET CA C 53.476 0.300 1
1371 123 123 MET CB C 34.306 0.300 1
1372 123 123 MET CG C 32.116 0.300 1
1373 123 123 MET CE C 17.030 0.300 1
1374 123 123 MET N N 117.646 0.300 1
1375 124 124 ALA H H 9.801 0.030 1
1376 124 124 ALA HA H 4.468 0.030 1
1377 124 124 ALA HB H 1.489 0.030 1
1378 124 124 ALA C C 176.689 0.300 1
1379 124 124 ALA CA C 53.211 0.300 1
1380 124 124 ALA CB C 18.983 0.300 1
1381 124 124 ALA N N 129.563 0.300 1
1382 125 125 VAL H H 7.627 0.030 1
1383 125 125 VAL HA H 3.898 0.030 1
1384 125 125 VAL HB H 1.773 0.030 1
1385 125 125 VAL HG1 H 1.000 0.030 1
1386 125 125 VAL HG2 H 0.974 0.030 1
1387 125 125 VAL C C 176.664 0.300 1
1388 125 125 VAL CA C 65.373 0.300 1
1389 125 125 VAL CB C 33.287 0.300 1
1390 125 125 VAL CG1 C 20.912 0.300 2
1391 125 125 VAL CG2 C 21.982 0.300 2
1392 125 125 VAL N N 120.854 0.300 1
1393 126 126 LYS H H 8.991 0.030 1
1394 126 126 LYS HA H 4.637 0.030 1
1395 126 126 LYS HB2 H 1.874 0.030 1
1396 126 126 LYS HB3 H 1.874 0.030 1
1397 126 126 LYS HG2 H 1.434 0.030 2
1398 126 126 LYS HG3 H 1.391 0.030 2
1399 126 126 LYS HD2 H 1.723 0.030 1
1400 126 126 LYS HD3 H 1.723 0.030 1
1401 126 126 LYS HE2 H 2.785 0.030 2
1402 126 126 LYS HE3 H 2.659 0.030 2
1403 126 126 LYS C C 174.624 0.300 1
1404 126 126 LYS CA C 55.503 0.300 1
1405 126 126 LYS CB C 34.045 0.300 1
1406 126 126 LYS CG C 24.302 0.300 1
1407 126 126 LYS CD C 29.150 0.300 1
1408 126 126 LYS CE C 43.930 0.300 1
1409 126 126 LYS N N 116.686 0.300 1
1410 127 127 ASP H H 6.945 0.030 1
1411 127 127 ASP HA H 5.136 0.030 1
1412 127 127 ASP HB2 H 2.440 0.030 2
1413 127 127 ASP HB3 H 2.115 0.030 2
1414 127 127 ASP C C 173.617 0.300 1
1415 127 127 ASP CA C 53.343 0.300 1
1416 127 127 ASP CB C 46.215 0.300 1
1417 127 127 ASP N N 118.265 0.300 1
1418 128 128 THR H H 7.898 0.030 1
1419 128 128 THR HA H 4.609 0.030 1
1420 128 128 THR HB H 4.611 0.030 1
1421 128 128 THR HG2 H 1.362 0.030 1
1422 128 128 THR C C 175.985 0.300 1
1423 128 128 THR CA C 59.804 0.300 1
1424 128 128 THR CB C 70.947 0.300 1
1425 128 128 THR CG2 C 22.337 0.300 1
1426 128 128 THR N N 106.738 0.300 1
1427 129 129 GLY H H 9.326 0.030 1
1428 129 129 GLY HA2 H 4.171 0.030 2
1429 129 129 GLY HA3 H 3.503 0.030 2
1430 129 129 GLY C C 176.840 0.300 1
1431 129 129 GLY CA C 47.321 0.300 1
1432 129 129 GLY N N 108.455 0.300 1
1433 130 130 GLU H H 8.579 0.030 1
1434 130 130 GLU HA H 3.980 0.030 1
1435 130 130 GLU HB2 H 2.154 0.030 1
1436 130 130 GLU HB3 H 2.154 0.030 1
1437 130 130 GLU HG2 H 2.515 0.030 2
1438 130 130 GLU HG3 H 2.439 0.030 2
1439 130 130 GLU C C 177.737 0.300 1
1440 130 130 GLU CA C 59.274 0.300 1
1441 130 130 GLU CB C 29.385 0.300 1
1442 130 130 GLU CG C 36.319 0.300 1
1443 130 130 GLU N N 120.849 0.300 1
1444 131 131 ARG H H 7.543 0.030 1
1445 131 131 ARG HA H 2.855 0.030 1
1446 131 131 ARG HB2 H 1.434 0.030 2
1447 131 131 ARG HB3 H 1.361 0.030 2
1448 131 131 ARG HG2 H 1.001 0.030 2
1449 131 131 ARG HG3 H 0.667 0.030 2
1450 131 131 ARG HD2 H 2.778 0.030 2
1451 131 131 ARG HD3 H 2.679 0.030 2
1452 131 131 ARG C C 178.826 0.300 1
1453 131 131 ARG CA C 59.582 0.300 1
1454 131 131 ARG CB C 29.412 0.300 1
1455 131 131 ARG CG C 26.802 0.300 1
1456 131 131 ARG CD C 43.891 0.300 1
1457 131 131 ARG N N 121.349 0.300 1
1458 132 132 LEU H H 6.571 0.030 1
1459 132 132 LEU HA H 2.765 0.030 1
1460 132 132 LEU HB2 H 0.612 0.030 2
1461 132 132 LEU HB3 H -0.108 0.030 2
1462 132 132 LEU HG H 0.333 0.030 1
1463 132 132 LEU HD1 H -0.082 0.030 1
1464 132 132 LEU HD2 H 0.105 0.030 1
1465 132 132 LEU C C 177.065 0.300 1
1466 132 132 LEU CA C 59.231 0.300 1
1467 132 132 LEU CB C 39.652 0.300 1
1468 132 132 LEU CG C 30.819 0.300 1
1469 132 132 LEU CD1 C 23.956 0.300 2
1470 132 132 LEU CD2 C 25.516 0.300 2
1471 132 132 LEU N N 122.347 0.300 1
1472 133 133 SER H H 7.933 0.030 1
1473 133 133 SER HA H 3.825 0.030 1
1474 133 133 SER HB2 H 3.871 0.030 2
1475 133 133 SER HB3 H 3.716 0.030 2
1476 133 133 SER C C 178.012 0.300 1
1477 133 133 SER CA C 61.515 0.300 1
1478 133 133 SER CB C 63.007 0.300 1
1479 133 133 SER N N 112.194 0.300 1
1480 134 134 HIS H H 8.249 0.030 1
1481 134 134 HIS HA H 4.196 0.030 1
1482 134 134 HIS HB2 H 3.312 0.030 2
1483 134 134 HIS HB3 H 2.826 0.030 2
1484 134 134 HIS HD2 H 6.947 0.030 1
1485 134 134 HIS HE1 H 8.341 0.030 1
1486 134 134 HIS C C 177.016 0.300 1
1487 134 134 HIS CA C 59.318 0.300 1
1488 134 134 HIS CB C 27.561 0.300 1
1489 134 134 HIS CD2 C 120.336 0.300 1
1490 134 134 HIS CE1 C 135.642 0.300 1
1491 134 134 HIS N N 120.138 0.300 1
1492 135 135 ALA H H 7.497 0.030 1
1493 135 135 ALA HA H 3.715 0.030 1
1494 135 135 ALA HB H 1.486 0.030 1
1495 135 135 ALA C C 178.813 0.300 1
1496 135 135 ALA CA C 56.131 0.300 1
1497 135 135 ALA CB C 17.361 0.300 1
1498 135 135 ALA N N 123.417 0.300 1
1499 136 136 VAL H H 7.855 0.030 1
1500 136 136 VAL HA H 3.239 0.030 1
1501 136 136 VAL HB H 2.176 0.030 1
1502 136 136 VAL HG1 H 0.796 0.030 1
1503 136 136 VAL HG2 H 0.657 0.030 1
1504 136 136 VAL C C 177.842 0.300 1
1505 136 136 VAL CA C 66.970 0.300 1
1506 136 136 VAL CB C 30.734 0.300 1
1507 136 136 VAL CG1 C 23.592 0.300 2
1508 136 136 VAL CG2 C 22.356 0.300 2
1509 136 136 VAL N N 118.241 0.300 1
1510 137 137 GLY H H 8.318 0.030 1
1511 137 137 GLY HA2 H 3.907 0.030 2
1512 137 137 GLY HA3 H 3.784 0.030 2
1513 137 137 GLY C C 177.769 0.300 1
1514 137 137 GLY CA C 47.411 0.300 1
1515 137 137 GLY N N 107.620 0.300 1
1516 138 138 CYS H H 7.878 0.030 1
1517 138 138 CYS HA H 4.182 0.030 1
1518 138 138 CYS HB2 H 3.116 0.030 2
1519 138 138 CYS HB3 H 2.813 0.030 2
1520 138 138 CYS C C 177.111 0.300 1
1521 138 138 CYS CA C 63.045 0.300 1
1522 138 138 CYS CB C 26.326 0.300 1
1523 138 138 CYS N N 121.259 0.300 1
1524 139 139 ALA H H 7.870 0.030 1
1525 139 139 ALA HA H 3.760 0.030 1
1526 139 139 ALA HB H 1.311 0.030 1
1527 139 139 ALA C C 178.995 0.300 1
1528 139 139 ALA CA C 55.679 0.300 1
1529 139 139 ALA CB C 17.727 0.300 1
1530 139 139 ALA N N 125.929 0.300 1
1531 140 140 PHE H H 8.385 0.030 1
1532 140 140 PHE HA H 4.167 0.030 1
1533 140 140 PHE HB2 H 3.236 0.030 2
1534 140 140 PHE HB3 H 3.152 0.030 2
1535 140 140 PHE HD1 H 7.220 0.030 1
1536 140 140 PHE HD2 H 7.220 0.030 1
1537 140 140 PHE HE1 H 7.335 0.030 1
1538 140 140 PHE HE2 H 7.335 0.030 1
1539 140 140 PHE HZ H 7.153 0.030 1
1540 140 140 PHE C C 178.437 0.300 1
1541 140 140 PHE CA C 60.580 0.300 1
1542 140 140 PHE CB C 38.785 0.300 1
1543 140 140 PHE CD1 C 131.310 0.300 1
1544 140 140 PHE CD2 C 131.310 0.300 1
1545 140 140 PHE CE1 C 131.438 0.300 1
1546 140 140 PHE CE2 C 131.438 0.300 1
1547 140 140 PHE CZ C 129.652 0.300 1
1548 140 140 PHE N N 118.216 0.300 1
1549 141 141 ALA H H 7.951 0.030 1
1550 141 141 ALA HA H 4.122 0.030 1
1551 141 141 ALA HB H 1.543 0.030 1
1552 141 141 ALA CA C 55.123 0.300 1
1553 141 141 ALA CB C 18.028 0.300 1
1554 141 141 ALA N N 121.158 0.300 1
1555 142 142 ALA H H 8.182 0.030 1
1556 142 142 ALA HA H 4.176 0.030 1
1557 142 142 ALA HB H 1.486 0.030 1
1558 142 142 ALA C C 179.845 0.300 1
1559 142 142 ALA CA C 54.763 0.300 1
1560 142 142 ALA CB C 18.108 0.300 1
1561 142 142 ALA N N 121.004 0.300 1
1562 143 143 CYS H H 8.258 0.030 1
1563 143 143 CYS HA H 4.082 0.030 1
1564 143 143 CYS HB2 H 3.223 0.030 2
1565 143 143 CYS HB3 H 3.067 0.030 2
1566 143 143 CYS C C 177.133 0.300 1
1567 143 143 CYS CA C 62.255 0.300 1
1568 143 143 CYS CB C 26.572 0.300 1
1569 143 143 CYS N N 119.396 0.300 1
1570 144 144 LEU H H 7.863 0.030 1
1571 144 144 LEU HA H 4.062 0.030 1
1572 144 144 LEU HB2 H 1.764 0.030 2
1573 144 144 LEU HB3 H 1.659 0.030 2
1574 144 144 LEU HG H 1.650 0.030 1
1575 144 144 LEU HD1 H 0.864 0.030 1
1576 144 144 LEU HD2 H 0.895 0.030 1
1577 144 144 LEU C C 179.469 0.300 1
1578 144 144 LEU CA C 57.830 0.300 1
1579 144 144 LEU CB C 41.537 0.300 1
1580 144 144 LEU CG C 26.988 0.300 1
1581 144 144 LEU CD1 C 23.656 0.300 2
1582 144 144 LEU CD2 C 24.622 0.300 2
1583 144 144 LEU N N 120.614 0.300 1
1584 145 145 GLU H H 8.013 0.030 1
1585 145 145 GLU HA H 4.078 0.030 1
1586 145 145 GLU HB2 H 2.167 0.030 2
1587 145 145 GLU HB3 H 2.121 0.030 2
1588 145 145 GLU HG2 H 2.429 0.030 2
1589 145 145 GLU HG3 H 2.284 0.030 2
1590 145 145 GLU C C 178.631 0.300 1
1591 145 145 GLU CA C 58.870 0.300 1
1592 145 145 GLU CB C 29.746 0.300 1
1593 145 145 GLU CG C 36.298 0.300 1
1594 145 145 GLU N N 119.132 0.300 1
1595 146 146 ARG H H 7.712 0.030 1
1596 146 146 ARG HA H 4.170 0.030 1
1597 146 146 ARG HB2 H 1.994 0.030 1
1598 146 146 ARG HB3 H 1.994 0.030 1
1599 146 146 ARG HG2 H 1.883 0.030 2
1600 146 146 ARG HG3 H 1.719 0.030 2
1601 146 146 ARG HD2 H 3.216 0.030 2
1602 146 146 ARG HD3 H 3.172 0.030 2
1603 146 146 ARG HE H 7.305 0.030 1
1604 146 146 ARG C C 178.048 0.300 1
1605 146 146 ARG CA C 58.483 0.300 1
1606 146 146 ARG CB C 30.446 0.300 1
1607 146 146 ARG CG C 27.255 0.300 1
1608 146 146 ARG CD C 44.075 0.300 1
1609 146 146 ARG N N 118.010 0.300 1
1610 146 146 ARG NE N 84.400 0.300 1
1611 147 147 LYS H H 7.816 0.030 1
1612 147 147 LYS HA H 4.197 0.030 1
1613 147 147 LYS HB2 H 1.954 0.030 1
1614 147 147 LYS HB3 H 1.954 0.030 1
1615 147 147 LYS HG2 H 1.635 0.030 2
1616 147 147 LYS HG3 H 1.497 0.030 2
1617 147 147 LYS HD2 H 1.706 0.030 1
1618 147 147 LYS HD3 H 1.706 0.030 1
1619 147 147 LYS HE2 H 2.990 0.030 1
1620 147 147 LYS HE3 H 2.990 0.030 1
1621 147 147 LYS C C 177.805 0.300 1
1622 147 147 LYS CA C 57.936 0.300 1
1623 147 147 LYS CB C 32.670 0.300 1
1624 147 147 LYS CG C 25.277 0.300 1
1625 147 147 LYS CD C 29.401 0.300 1
1626 147 147 LYS CE C 42.170 0.300 1
1627 147 147 LYS N N 118.992 0.300 1
1628 148 148 GLN H H 7.979 0.030 1
1629 148 148 GLN HA H 4.242 0.030 1
1630 148 148 GLN HB2 H 2.138 0.030 1
1631 148 148 GLN HB3 H 2.138 0.030 1
1632 148 148 GLN HG2 H 2.495 0.030 2
1633 148 148 GLN HG3 H 2.427 0.030 2
1634 148 148 GLN HE21 H 7.486 0.030 2
1635 148 148 GLN HE22 H 6.893 0.030 2
1636 148 148 GLN C C 176.689 0.300 1
1637 148 148 GLN CA C 56.702 0.300 1
1638 148 148 GLN CB C 29.054 0.300 1
1639 148 148 GLN CG C 33.979 0.300 1
1640 148 148 GLN N N 118.645 0.300 1
1641 148 148 GLN NE2 N 111.885 0.300 1
1642 149 149 LYS H H 8.049 0.030 1
1643 149 149 LYS HA H 4.287 0.030 1
1644 149 149 LYS HB2 H 1.901 0.030 2
1645 149 149 LYS HB3 H 1.840 0.030 2
1646 149 149 LYS HG2 H 1.536 0.030 2
1647 149 149 LYS HG3 H 1.465 0.030 2
1648 149 149 LYS HD2 H 1.777 0.030 1
1649 149 149 LYS HD3 H 1.777 0.030 1
1650 149 149 LYS HE2 H 3.014 0.030 1
1651 149 149 LYS HE3 H 3.014 0.030 1
1652 149 149 LYS C C 176.828 0.300 1
1653 149 149 LYS CA C 56.843 0.300 1
1654 149 149 LYS CB C 32.746 0.300 1
1655 149 149 LYS CG C 24.947 0.300 1
1656 149 149 LYS CD C 28.903 0.300 1
1657 149 149 LYS CE C 42.252 0.300 1
1658 149 149 LYS N N 120.816 0.300 1
1659 150 150 ARG H H 8.192 0.030 1
1660 150 150 ARG HA H 4.409 0.030 1
1661 150 150 ARG HB2 H 1.929 0.030 2
1662 150 150 ARG HB3 H 1.828 0.030 2
1663 150 150 ARG HG2 H 1.712 0.030 2
1664 150 150 ARG HG3 H 1.700 0.030 2
1665 150 150 ARG HD2 H 3.227 0.030 1
1666 150 150 ARG HD3 H 3.227 0.030 1
1667 150 150 ARG HE H 7.693 0.030 1
1668 150 150 ARG C C 176.410 0.300 1
1669 150 150 ARG CA C 56.231 0.300 1
1670 150 150 ARG CB C 30.858 0.300 1
1671 150 150 ARG CG C 27.182 0.300 1
1672 150 150 ARG CD C 43.406 0.300 1
1673 150 150 ARG N N 121.428 0.300 1
1674 150 150 ARG NE N 84.714 0.300 1
1675 151 151 SER H H 8.295 0.030 1
1676 151 151 SER HA H 4.545 0.030 1
1677 151 151 SER HB2 H 3.893 0.030 1
1678 151 151 SER HB3 H 3.893 0.030 1
1679 151 151 SER C C 174.552 0.300 1
1680 151 151 SER CA C 58.465 0.300 1
1681 151 151 SER CB C 64.108 0.300 1
1682 151 151 SER N N 116.773 0.300 1
1683 152 152 GLY H H 8.235 0.030 1
1684 152 152 GLY HA2 H 4.154 0.030 1
1685 152 152 GLY HA3 H 4.154 0.030 1
1686 152 152 GLY C C 171.808 0.300 1
1687 152 152 GLY CA C 44.714 0.300 1
1688 152 152 GLY N N 110.710 0.300 1
1689 153 153 PRO HA H 4.503 0.030 1
1690 153 153 PRO HB2 H 2.305 0.030 2
1691 153 153 PRO HB3 H 1.920 0.030 2
1692 153 153 PRO HG2 H 2.043 0.030 2
1693 153 153 PRO HG3 H 1.992 0.030 2
1694 153 153 PRO HD2 H 3.885 0.030 2
1695 153 153 PRO HD3 H 3.684 0.030 2
1696 153 153 PRO C C 177.176 0.300 1
1697 153 153 PRO CA C 63.289 0.300 1
1698 153 153 PRO CB C 32.215 0.300 1
1699 153 153 PRO CG C 27.452 0.300 1
1700 153 153 PRO CD C 51.081 0.300 1
1701 154 154 SER H H 8.299 0.030 1
1702 154 154 SER HB2 H 4.284 0.030 1
1703 154 154 SER HB3 H 4.284 0.030 1
1704 154 154 SER C C 174.966 0.300 1
1705 154 154 SER CA C 58.711 0.300 1
1706 154 154 SER CB C 69.878 0.300 1
1707 154 154 SER N N 114.615 0.300 1
1708 155 155 SER H H 8.104 0.030 1
1709 155 155 SER HA H 4.407 0.030 1
1710 155 155 SER HB2 H 4.269 0.030 1
1711 155 155 SER HB3 H 4.269 0.030 1
1712 155 155 SER C C 174.582 0.300 1
1713 155 155 SER CA C 61.832 0.300 1
1714 155 155 SER CB C 69.726 0.300 1
1715 155 155 SER N N 115.395 0.300 1
1716 156 156 GLY H H 8.368 0.030 1
stop_
save_