data_11124
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the CH domain of human Calponin 1
;
_BMRB_accession_number 11124
_BMRB_flat_file_name bmr11124.str
_Entry_type original
_Submission_date 2010-03-31
_Accession_date 2010-03-31
_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 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 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" 774
"13C chemical shifts" 565
"15N chemical shifts" 144
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-04-01 original author .
stop_
_Original_release_date 2011-04-01
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the CH domain of human Calponin 1'
_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 Tomizawa T. . .
2 Kigawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 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 'Calponin 1'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'CH domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'CH domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 136
_Mol_residue_sequence
;
GSSGSSGNKLAQKYDHQREQ
ELREWIEGVTGRRIGNNFMD
GLKDGIILCEFINKLQPGSV
KKINESTQNWHQLENIGNFI
KAITKYGVKPHDIFEANDLF
ENTNHTQVQSTLLALASMAK
TKGNKVNVGVSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ASN 9 LYS 10 LEU
11 ALA 12 GLN 13 LYS 14 TYR 15 ASP
16 HIS 17 GLN 18 ARG 19 GLU 20 GLN
21 GLU 22 LEU 23 ARG 24 GLU 25 TRP
26 ILE 27 GLU 28 GLY 29 VAL 30 THR
31 GLY 32 ARG 33 ARG 34 ILE 35 GLY
36 ASN 37 ASN 38 PHE 39 MET 40 ASP
41 GLY 42 LEU 43 LYS 44 ASP 45 GLY
46 ILE 47 ILE 48 LEU 49 CYS 50 GLU
51 PHE 52 ILE 53 ASN 54 LYS 55 LEU
56 GLN 57 PRO 58 GLY 59 SER 60 VAL
61 LYS 62 LYS 63 ILE 64 ASN 65 GLU
66 SER 67 THR 68 GLN 69 ASN 70 TRP
71 HIS 72 GLN 73 LEU 74 GLU 75 ASN
76 ILE 77 GLY 78 ASN 79 PHE 80 ILE
81 LYS 82 ALA 83 ILE 84 THR 85 LYS
86 TYR 87 GLY 88 VAL 89 LYS 90 PRO
91 HIS 92 ASP 93 ILE 94 PHE 95 GLU
96 ALA 97 ASN 98 ASP 99 LEU 100 PHE
101 GLU 102 ASN 103 THR 104 ASN 105 HIS
106 THR 107 GLN 108 VAL 109 GLN 110 SER
111 THR 112 LEU 113 LEU 114 ALA 115 LEU
116 ALA 117 SER 118 MET 119 ALA 120 LYS
121 THR 122 LYS 123 GLY 124 ASN 125 LYS
126 VAL 127 ASN 128 VAL 129 GLY 130 VAL
131 SER 132 GLY 133 PRO 134 SER 135 SER
136 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-13
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 1WYP "Solution Structure Of The Ch Domain Of Human Calponin 1" 100.00 136 100.00 100.00 4.38e-94
DBJ BAA12983 "h1-calponin [Homo sapiens]" 90.44 281 99.19 99.19 2.19e-82
DBJ BAG62488 "unnamed protein product [Homo sapiens]" 88.97 277 100.00 100.00 5.48e-82
DBJ BAH13577 "unnamed protein product [Homo sapiens]" 67.65 247 100.00 100.00 5.17e-58
DBJ BAH14777 "unnamed protein product [Homo sapiens]" 67.65 247 100.00 100.00 5.17e-58
DBJ BAK61945 "calponin-1 [Pan troglodytes]" 92.65 299 97.62 98.41 1.82e-82
GB AAF18235 "calponin [Mustela putorius furo]" 69.12 169 97.87 100.00 5.50e-60
GB AAN73252 "calponin [Ovis aries]" 69.12 144 98.94 100.00 1.30e-60
GB EAW84228 "calponin 1, basic, smooth muscle, isoform CRA_a, partial [Homo sapiens]" 67.65 171 100.00 100.00 4.55e-59
GB EDL25254 "calponin 1, isoform CRA_c [Mus musculus]" 67.65 247 98.91 100.00 7.22e-58
GB EDL78233 "calponin 1, isoform CRA_d [Rattus norvegicus]" 67.65 247 98.91 100.00 6.99e-58
REF NP_001267033 "calponin-1 [Pan troglodytes]" 92.65 299 97.62 98.41 1.82e-82
REF NP_001295270 "calponin-1 isoform 2 [Homo sapiens]" 67.65 247 100.00 100.00 5.17e-58
REF NP_001295271 "calponin-1 isoform 2 [Homo sapiens]" 67.65 247 100.00 100.00 5.17e-58
REF XP_003275805 "PREDICTED: calponin-1 [Nomascus leucogenys]" 67.65 247 100.00 100.00 5.39e-58
REF XP_004060093 "PREDICTED: calponin-1 isoform 2 [Gorilla gorilla gorilla]" 88.97 277 100.00 100.00 5.48e-82
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_name
$entity_1 'cell free synthesis' . Escherichia coli . P040621-01
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.10mM CH domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.10 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRview
_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_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9295
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'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_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
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 7.0 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_
_Software_label
$XWINNMR
$NMRPipe
$NMRview
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-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 'CH domain'
_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 8 8 ASN HD21 H 6.849 0.030 2
2 8 8 ASN HD22 H 7.514 0.030 2
3 8 8 ASN ND2 N 112.338 0.300 1
4 9 9 LYS HA H 4.205 0.030 1
5 9 9 LYS HB2 H 1.771 0.030 2
6 9 9 LYS HB3 H 1.693 0.030 2
7 9 9 LYS HD2 H 1.623 0.030 1
8 9 9 LYS HD3 H 1.623 0.030 1
9 9 9 LYS HE2 H 2.945 0.030 1
10 9 9 LYS HE3 H 2.945 0.030 1
11 9 9 LYS HG2 H 1.387 0.030 2
12 9 9 LYS HG3 H 1.358 0.030 2
13 9 9 LYS C C 174.415 0.300 1
14 9 9 LYS CA C 54.385 0.300 1
15 9 9 LYS CB C 30.486 0.300 1
16 9 9 LYS CD C 26.769 0.300 1
17 9 9 LYS CE C 39.871 0.300 1
18 9 9 LYS CG C 22.484 0.300 1
19 10 10 LEU H H 8.131 0.030 1
20 10 10 LEU HA H 4.244 0.030 1
21 10 10 LEU HB2 H 1.587 0.030 2
22 10 10 LEU HB3 H 1.507 0.030 2
23 10 10 LEU HD1 H 0.856 0.030 1
24 10 10 LEU HD2 H 0.799 0.030 1
25 10 10 LEU HG H 1.555 0.030 1
26 10 10 LEU C C 174.850 0.300 1
27 10 10 LEU CA C 52.883 0.300 1
28 10 10 LEU CB C 39.889 0.300 1
29 10 10 LEU CD1 C 22.606 0.300 2
30 10 10 LEU CD2 C 21.129 0.300 2
31 10 10 LEU CG C 24.736 0.300 1
32 10 10 LEU N N 122.285 0.300 1
33 11 11 ALA H H 8.100 0.030 1
34 11 11 ALA HA H 4.237 0.030 1
35 11 11 ALA HB H 1.313 0.030 1
36 11 11 ALA C C 175.231 0.300 1
37 11 11 ALA CA C 50.114 0.300 1
38 11 11 ALA CB C 16.776 0.300 1
39 11 11 ALA N N 124.286 0.300 1
40 12 12 GLN H H 8.137 0.030 1
41 12 12 GLN HA H 4.248 0.030 1
42 12 12 GLN HB2 H 1.888 0.030 2
43 12 12 GLN HB3 H 1.968 0.030 2
44 12 12 GLN HE21 H 7.483 0.030 2
45 12 12 GLN HE22 H 6.819 0.030 2
46 12 12 GLN HG2 H 2.291 0.030 1
47 12 12 GLN HG3 H 2.291 0.030 1
48 12 12 GLN C C 173.153 0.300 1
49 12 12 GLN CA C 53.342 0.300 1
50 12 12 GLN CB C 27.405 0.300 1
51 12 12 GLN CG C 31.520 0.300 1
52 12 12 GLN N N 119.476 0.300 1
53 12 12 GLN NE2 N 111.993 0.300 1
54 13 13 LYS H H 8.245 0.030 1
55 13 13 LYS HA H 4.380 0.030 1
56 13 13 LYS HB2 H 1.753 0.030 2
57 13 13 LYS HB3 H 1.654 0.030 2
58 13 13 LYS HD2 H 1.623 0.030 1
59 13 13 LYS HD3 H 1.623 0.030 1
60 13 13 LYS HE2 H 2.946 0.030 2
61 13 13 LYS HG2 H 1.353 0.030 1
62 13 13 LYS HG3 H 1.353 0.030 1
63 13 13 LYS C C 173.231 0.300 1
64 13 13 LYS CA C 53.086 0.300 1
65 13 13 LYS CB C 31.809 0.300 1
66 13 13 LYS CD C 26.844 0.300 1
67 13 13 LYS CE C 39.921 0.300 1
68 13 13 LYS CG C 22.280 0.300 1
69 13 13 LYS N N 121.751 0.300 1
70 14 14 TYR H H 8.471 0.030 1
71 14 14 TYR HA H 3.732 0.030 1
72 14 14 TYR HB2 H 2.794 0.030 2
73 14 14 TYR HB3 H 2.649 0.030 2
74 14 14 TYR HD1 H 6.318 0.030 1
75 14 14 TYR HD2 H 6.318 0.030 1
76 14 14 TYR HE1 H 6.360 0.030 1
77 14 14 TYR HE2 H 6.360 0.030 1
78 14 14 TYR C C 172.159 0.300 1
79 14 14 TYR CA C 57.711 0.300 1
80 14 14 TYR CB C 36.202 0.300 1
81 14 14 TYR CD1 C 130.589 0.300 1
82 14 14 TYR CD2 C 130.589 0.300 1
83 14 14 TYR CE1 C 115.655 0.300 1
84 14 14 TYR CE2 C 115.655 0.300 1
85 14 14 TYR N N 124.977 0.300 1
86 15 15 ASP H H 8.085 0.030 1
87 15 15 ASP HA H 4.781 0.030 1
88 15 15 ASP HB2 H 2.236 0.030 2
89 15 15 ASP HB3 H 2.467 0.030 2
90 15 15 ASP C C 174.864 0.300 1
91 15 15 ASP CA C 50.713 0.300 1
92 15 15 ASP CB C 41.601 0.300 1
93 15 15 ASP N N 128.022 0.300 1
94 16 16 HIS HA H 4.006 0.030 1
95 16 16 HIS HB2 H 3.175 0.030 2
96 16 16 HIS HB3 H 3.055 0.030 2
97 16 16 HIS HD2 H 7.131 0.030 1
98 16 16 HIS HE1 H 7.822 0.030 1
99 16 16 HIS C C 175.037 0.300 1
100 16 16 HIS CA C 58.252 0.300 1
101 16 16 HIS CB C 27.737 0.300 1
102 16 16 HIS CD2 C 117.895 0.300 1
103 16 16 HIS CE1 C 136.238 0.300 1
104 17 17 GLN H H 8.343 0.030 1
105 17 17 GLN HA H 4.088 0.030 1
106 17 17 GLN HB2 H 2.057 0.030 2
107 17 17 GLN HB3 H 2.120 0.030 2
108 17 17 GLN HE21 H 6.778 0.030 2
109 17 17 GLN HE22 H 7.636 0.030 2
110 17 17 GLN HG2 H 2.248 0.030 1
111 17 17 GLN HG3 H 2.248 0.030 1
112 17 17 GLN C C 176.809 0.300 1
113 17 17 GLN CA C 56.755 0.300 1
114 17 17 GLN CB C 25.117 0.300 1
115 17 17 GLN CG C 31.482 0.300 1
116 17 17 GLN N N 123.119 0.300 1
117 17 17 GLN NE2 N 112.194 0.300 1
118 18 18 ARG H H 8.244 0.030 1
119 18 18 ARG HA H 3.942 0.030 1
120 18 18 ARG HB2 H 1.723 0.030 2
121 18 18 ARG HB3 H 1.412 0.030 2
122 18 18 ARG HD2 H 2.802 0.030 2
123 18 18 ARG HD3 H 3.103 0.030 2
124 18 18 ARG HE H 8.068 0.030 1
125 18 18 ARG HG2 H 1.512 0.030 2
126 18 18 ARG HG3 H 1.579 0.030 2
127 18 18 ARG C C 176.448 0.300 1
128 18 18 ARG CA C 55.380 0.300 1
129 18 18 ARG CB C 28.822 0.300 1
130 18 18 ARG CD C 40.540 0.300 1
131 18 18 ARG CG C 24.164 0.300 1
132 18 18 ARG N N 117.443 0.300 1
133 18 18 ARG NE N 84.417 0.300 1
134 19 19 GLU H H 7.296 0.030 1
135 19 19 GLU HA H 3.259 0.030 1
136 19 19 GLU HB2 H 2.054 0.030 2
137 19 19 GLU HB3 H 1.501 0.030 2
138 19 19 GLU HG2 H 0.840 0.030 2
139 19 19 GLU HG3 H 1.491 0.030 2
140 19 19 GLU C C 174.228 0.300 1
141 19 19 GLU CA C 57.826 0.300 1
142 19 19 GLU CB C 27.158 0.300 1
143 19 19 GLU CG C 34.337 0.300 1
144 19 19 GLU N N 116.878 0.300 1
145 20 20 GLN H H 7.330 0.030 1
146 20 20 GLN HA H 3.970 0.030 1
147 20 20 GLN HB2 H 2.202 0.030 2
148 20 20 GLN HB3 H 2.110 0.030 2
149 20 20 GLN HE21 H 7.866 0.030 2
150 20 20 GLN HE22 H 6.855 0.030 2
151 20 20 GLN HG2 H 2.426 0.030 2
152 20 20 GLN HG3 H 2.362 0.030 2
153 20 20 GLN C C 176.115 0.300 1
154 20 20 GLN CA C 56.505 0.300 1
155 20 20 GLN CB C 25.099 0.300 1
156 20 20 GLN CG C 30.477 0.300 1
157 20 20 GLN N N 118.212 0.300 1
158 20 20 GLN NE2 N 112.903 0.300 1
159 21 21 GLU H H 7.653 0.030 1
160 21 21 GLU HA H 4.038 0.030 1
161 21 21 GLU HB2 H 2.089 0.030 2
162 21 21 GLU HB3 H 2.278 0.030 2
163 21 21 GLU HG2 H 2.459 0.030 2
164 21 21 GLU HG3 H 2.284 0.030 2
165 21 21 GLU C C 178.379 0.300 1
166 21 21 GLU CA C 56.408 0.300 1
167 21 21 GLU CB C 27.774 0.300 1
168 21 21 GLU CG C 33.281 0.300 1
169 21 21 GLU N N 117.959 0.300 1
170 22 22 LEU H H 8.593 0.030 1
171 22 22 LEU HA H 4.182 0.030 1
172 22 22 LEU HB2 H 2.121 0.030 2
173 22 22 LEU HB3 H 1.239 0.030 2
174 22 22 LEU HD1 H 0.762 0.030 1
175 22 22 LEU HD2 H 1.089 0.030 1
176 22 22 LEU HG H 1.849 0.030 1
177 22 22 LEU C C 176.045 0.300 1
178 22 22 LEU CA C 55.719 0.300 1
179 22 22 LEU CB C 40.975 0.300 1
180 22 22 LEU CD1 C 24.172 0.300 2
181 22 22 LEU CD2 C 21.962 0.300 2
182 22 22 LEU CG C 24.556 0.300 1
183 22 22 LEU N N 120.520 0.300 1
184 23 23 ARG H H 8.981 0.030 1
185 23 23 ARG HA H 3.769 0.030 1
186 23 23 ARG HB2 H 2.069 0.030 1
187 23 23 ARG HB3 H 2.069 0.030 1
188 23 23 ARG HD2 H 3.471 0.030 2
189 23 23 ARG HD3 H 3.103 0.030 2
190 23 23 ARG HE H 8.413 0.030 1
191 23 23 ARG HG2 H 1.347 0.030 2
192 23 23 ARG HG3 H 1.519 0.030 2
193 23 23 ARG C C 174.942 0.300 1
194 23 23 ARG CA C 58.193 0.300 1
195 23 23 ARG CB C 28.329 0.300 1
196 23 23 ARG CD C 41.837 0.300 1
197 23 23 ARG CG C 25.644 0.300 1
198 23 23 ARG N N 119.564 0.300 1
199 23 23 ARG NE N 83.785 0.300 1
200 24 24 GLU H H 8.091 0.030 1
201 24 24 GLU HA H 4.089 0.030 1
202 24 24 GLU HB2 H 2.087 0.030 1
203 24 24 GLU HB3 H 2.087 0.030 1
204 24 24 GLU HG2 H 2.540 0.030 2
205 24 24 GLU HG3 H 2.273 0.030 2
206 24 24 GLU C C 178.019 0.300 1
207 24 24 GLU CA C 57.245 0.300 1
208 24 24 GLU CB C 27.035 0.300 1
209 24 24 GLU CG C 34.350 0.300 1
210 24 24 GLU N N 117.275 0.300 1
211 25 25 TRP H H 8.102 0.030 1
212 25 25 TRP HA H 4.831 0.030 1
213 25 25 TRP HB2 H 3.540 0.030 2
214 25 25 TRP HB3 H 3.185 0.030 2
215 25 25 TRP HD1 H 7.523 0.030 1
216 25 25 TRP HE1 H 10.978 0.030 1
217 25 25 TRP HE3 H 7.432 0.030 1
218 25 25 TRP HH2 H 6.857 0.030 1
219 25 25 TRP HZ2 H 7.076 0.030 1
220 25 25 TRP HZ3 H 7.011 0.030 1
221 25 25 TRP C C 174.980 0.300 1
222 25 25 TRP CA C 56.343 0.300 1
223 25 25 TRP CB C 26.811 0.300 1
224 25 25 TRP CD1 C 125.159 0.300 1
225 25 25 TRP CE3 C 118.292 0.300 1
226 25 25 TRP CH2 C 120.980 0.300 1
227 25 25 TRP CZ2 C 112.889 0.300 1
228 25 25 TRP CZ3 C 118.253 0.300 1
229 25 25 TRP N N 120.921 0.300 1
230 25 25 TRP NE1 N 131.198 0.300 1
231 26 26 ILE H H 8.582 0.030 1
232 26 26 ILE HA H 2.825 0.030 1
233 26 26 ILE HB H 1.299 0.030 1
234 26 26 ILE HD1 H 0.331 0.030 1
235 26 26 ILE HG12 H -1.278 0.030 2
236 26 26 ILE HG13 H 1.123 0.030 2
237 26 26 ILE HG2 H 0.047 0.030 1
238 26 26 ILE C C 178.437 0.300 1
239 26 26 ILE CA C 62.701 0.300 1
240 26 26 ILE CB C 36.301 0.300 1
241 26 26 ILE CD1 C 10.882 0.300 1
242 26 26 ILE CG1 C 25.625 0.300 1
243 26 26 ILE CG2 C 14.904 0.300 1
244 26 26 ILE N N 117.533 0.300 1
245 27 27 GLU H H 9.239 0.030 1
246 27 27 GLU HA H 3.971 0.030 1
247 27 27 GLU HB2 H 1.982 0.030 2
248 27 27 GLU HB3 H 1.859 0.030 2
249 27 27 GLU HG2 H 2.679 0.030 2
250 27 27 GLU HG3 H 2.514 0.030 2
251 27 27 GLU C C 177.755 0.300 1
252 27 27 GLU CA C 57.763 0.300 1
253 27 27 GLU CB C 26.747 0.300 1
254 27 27 GLU CG C 35.551 0.300 1
255 27 27 GLU N N 120.882 0.300 1
256 28 28 GLY H H 7.882 0.030 1
257 28 28 GLY HA2 H 4.056 0.030 2
258 28 28 GLY HA3 H 3.847 0.030 2
259 28 28 GLY C C 174.179 0.300 1
260 28 28 GLY CA C 44.701 0.300 1
261 28 28 GLY N N 107.312 0.300 1
262 29 29 VAL H H 8.091 0.030 1
263 29 29 VAL HA H 3.847 0.030 1
264 29 29 VAL HB H 1.965 0.030 1
265 29 29 VAL HG1 H 0.784 0.030 1
266 29 29 VAL HG2 H 1.112 0.030 1
267 29 29 VAL C C 175.916 0.300 1
268 29 29 VAL CA C 63.333 0.300 1
269 29 29 VAL CB C 30.520 0.300 1
270 29 29 VAL CG1 C 20.174 0.300 2
271 29 29 VAL CG2 C 21.507 0.300 2
272 29 29 VAL N N 119.745 0.300 1
273 30 30 THR H H 7.867 0.030 1
274 30 30 THR HA H 4.043 0.030 1
275 30 30 THR HB H 4.062 0.030 1
276 30 30 THR HG2 H 1.279 0.030 1
277 30 30 THR C C 174.490 0.300 1
278 30 30 THR CA C 61.437 0.300 1
279 30 30 THR CB C 69.217 0.300 1
280 30 30 THR CG2 C 19.872 0.300 1
281 30 30 THR N N 104.305 0.300 1
282 31 31 GLY H H 8.182 0.030 1
283 31 31 GLY HA2 H 4.026 0.030 2
284 31 31 GLY HA3 H 3.810 0.030 2
285 31 31 GLY C C 171.428 0.300 1
286 31 31 GLY CA C 43.890 0.300 1
287 31 31 GLY N N 111.298 0.300 1
288 32 32 ARG H H 7.678 0.030 1
289 32 32 ARG HA H 4.368 0.030 1
290 32 32 ARG HB2 H 1.557 0.030 2
291 32 32 ARG HB3 H 1.465 0.030 2
292 32 32 ARG HD2 H 2.830 0.030 2
293 32 32 ARG HD3 H 3.047 0.030 2
294 32 32 ARG HE H 6.738 0.030 1
295 32 32 ARG HG2 H 1.395 0.030 1
296 32 32 ARG HG3 H 1.395 0.030 1
297 32 32 ARG C C 172.171 0.300 1
298 32 32 ARG CA C 51.211 0.300 1
299 32 32 ARG CB C 30.214 0.300 1
300 32 32 ARG CD C 40.846 0.300 1
301 32 32 ARG CG C 24.470 0.300 1
302 32 32 ARG N N 118.359 0.300 1
303 33 33 ARG H H 8.020 0.030 1
304 33 33 ARG HA H 4.214 0.030 1
305 33 33 ARG HB2 H 1.664 0.030 2
306 33 33 ARG HB3 H 1.534 0.030 2
307 33 33 ARG HD2 H 2.989 0.030 1
308 33 33 ARG HD3 H 2.989 0.030 1
309 33 33 ARG HG2 H 1.404 0.030 2
310 33 33 ARG HG3 H 1.551 0.030 2
311 33 33 ARG C C 174.385 0.300 1
312 33 33 ARG CA C 51.678 0.300 1
313 33 33 ARG CB C 28.147 0.300 1
314 33 33 ARG CD C 40.860 0.300 1
315 33 33 ARG CG C 24.183 0.300 1
316 33 33 ARG N N 116.790 0.300 1
317 34 34 ILE H H 9.537 0.030 1
318 34 34 ILE HA H 3.305 0.030 1
319 34 34 ILE HB H 1.573 0.030 1
320 34 34 ILE HD1 H 0.571 0.030 1
321 34 34 ILE HG12 H 1.613 0.030 2
322 34 34 ILE HG13 H 0.510 0.030 2
323 34 34 ILE HG2 H 0.569 0.030 1
324 34 34 ILE C C 173.860 0.300 1
325 34 34 ILE CA C 61.680 0.300 1
326 34 34 ILE CB C 36.816 0.300 1
327 34 34 ILE CD1 C 12.641 0.300 1
328 34 34 ILE CG1 C 27.500 0.300 1
329 34 34 ILE CG2 C 16.997 0.300 1
330 34 34 ILE N N 125.918 0.300 1
331 35 35 GLY H H 8.272 0.030 1
332 35 35 GLY HA2 H 4.362 0.030 2
333 35 35 GLY HA3 H 3.550 0.030 2
334 35 35 GLY C C 172.606 0.300 1
335 35 35 GLY CA C 40.913 0.300 1
336 35 35 GLY N N 105.667 0.300 1
337 36 36 ASN H H 6.415 0.030 1
338 36 36 ASN HA H 4.213 0.030 1
339 36 36 ASN HB2 H 2.699 0.030 1
340 36 36 ASN HB3 H 2.699 0.030 1
341 36 36 ASN HD21 H 7.567 0.030 2
342 36 36 ASN HD22 H 6.888 0.030 2
343 36 36 ASN CA C 54.052 0.300 1
344 36 36 ASN CB C 36.081 0.300 1
345 36 36 ASN ND2 N 112.517 0.300 1
346 37 37 ASN H H 8.012 0.030 1
347 37 37 ASN HA H 4.709 0.030 1
348 37 37 ASN HB2 H 2.811 0.030 2
349 37 37 ASN HB3 H 2.518 0.030 2
350 37 37 ASN HD21 H 7.590 0.030 2
351 37 37 ASN HD22 H 6.812 0.030 2
352 37 37 ASN C C 172.292 0.300 1
353 37 37 ASN CA C 50.014 0.300 1
354 37 37 ASN CB C 36.893 0.300 1
355 37 37 ASN N N 116.857 0.300 1
356 37 37 ASN ND2 N 113.640 0.300 1
357 38 38 PHE H H 8.800 0.030 1
358 38 38 PHE HA H 3.690 0.030 1
359 38 38 PHE HB2 H 2.910 0.030 1
360 38 38 PHE HB3 H 2.910 0.030 1
361 38 38 PHE HD1 H 6.916 0.030 1
362 38 38 PHE HD2 H 6.916 0.030 1
363 38 38 PHE HE1 H 6.784 0.030 1
364 38 38 PHE HE2 H 6.784 0.030 1
365 38 38 PHE HZ H 6.699 0.030 1
366 38 38 PHE C C 172.264 0.300 1
367 38 38 PHE CA C 59.462 0.300 1
368 38 38 PHE CB C 37.747 0.300 1
369 38 38 PHE CD1 C 130.148 0.300 1
370 38 38 PHE CD2 C 130.148 0.300 1
371 38 38 PHE CE1 C 128.220 0.300 1
372 38 38 PHE CE2 C 128.220 0.300 1
373 38 38 PHE CZ C 125.681 0.300 1
374 38 38 PHE N N 128.088 0.300 1
375 39 39 MET H H 8.287 0.030 1
376 39 39 MET HA H 3.902 0.030 1
377 39 39 MET HB2 H 1.832 0.030 2
378 39 39 MET HB3 H 1.337 0.030 2
379 39 39 MET HE H 2.097 0.030 1
380 39 39 MET HG2 H 1.876 0.030 2
381 39 39 MET HG3 H 2.340 0.030 2
382 39 39 MET C C 178.030 0.300 1
383 39 39 MET CA C 54.502 0.300 1
384 39 39 MET CB C 28.059 0.300 1
385 39 39 MET CE C 16.011 0.300 1
386 39 39 MET CG C 30.969 0.300 1
387 39 39 MET N N 113.527 0.300 1
388 40 40 ASP H H 7.975 0.030 1
389 40 40 ASP HA H 4.120 0.030 1
390 40 40 ASP HB2 H 2.441 0.030 2
391 40 40 ASP HB3 H 2.365 0.030 2
392 40 40 ASP C C 177.180 0.300 1
393 40 40 ASP CA C 55.093 0.300 1
394 40 40 ASP CB C 37.832 0.300 1
395 40 40 ASP N N 118.805 0.300 1
396 41 41 GLY H H 7.829 0.030 1
397 41 41 GLY HA2 H 3.914 0.030 1
398 41 41 GLY HA3 H 3.914 0.030 1
399 41 41 GLY C C 172.305 0.300 1
400 41 41 GLY CA C 43.591 0.300 1
401 41 41 GLY N N 104.737 0.300 1
402 42 42 LEU H H 7.008 0.030 1
403 42 42 LEU HA H 4.449 0.030 1
404 42 42 LEU HB2 H 1.453 0.030 2
405 42 42 LEU HB3 H 1.118 0.030 2
406 42 42 LEU HD1 H -0.030 0.030 1
407 42 42 LEU HD2 H 0.226 0.030 1
408 42 42 LEU HG H 1.403 0.030 1
409 42 42 LEU C C 176.581 0.300 1
410 42 42 LEU CA C 51.246 0.300 1
411 42 42 LEU CB C 40.505 0.300 1
412 42 42 LEU CD1 C 23.555 0.300 2
413 42 42 LEU CD2 C 19.219 0.300 2
414 42 42 LEU CG C 22.499 0.300 1
415 42 42 LEU N N 116.545 0.300 1
416 43 43 LYS H H 7.005 0.030 1
417 43 43 LYS HA H 3.564 0.030 1
418 43 43 LYS HB2 H 1.871 0.030 2
419 43 43 LYS HB3 H 1.705 0.030 2
420 43 43 LYS HD2 H 1.497 0.030 1
421 43 43 LYS HD3 H 1.497 0.030 1
422 43 43 LYS HE2 H 2.615 0.030 2
423 43 43 LYS HE3 H 2.771 0.030 2
424 43 43 LYS HG2 H 1.444 0.030 2
425 43 43 LYS HG3 H 1.286 0.030 2
426 43 43 LYS C C 170.944 0.300 1
427 43 43 LYS CA C 58.459 0.300 1
428 43 43 LYS CB C 30.998 0.300 1
429 43 43 LYS CD C 27.329 0.300 1
430 43 43 LYS CE C 39.657 0.300 1
431 43 43 LYS CG C 22.814 0.300 1
432 43 43 LYS N N 121.816 0.300 1
433 44 44 ASP H H 7.629 0.030 1
434 44 44 ASP HA H 4.530 0.030 1
435 44 44 ASP HB2 H 3.052 0.030 2
436 44 44 ASP HB3 H 2.416 0.030 2
437 44 44 ASP C C 175.427 0.300 1
438 44 44 ASP CA C 51.752 0.300 1
439 44 44 ASP CB C 38.575 0.300 1
440 44 44 ASP N N 109.250 0.300 1
441 45 45 GLY H H 7.759 0.030 1
442 45 45 GLY HA2 H 3.975 0.030 2
443 45 45 GLY HA3 H 3.368 0.030 2
444 45 45 GLY C C 171.938 0.300 1
445 45 45 GLY CA C 44.866 0.300 1
446 45 45 GLY N N 104.409 0.300 1
447 46 46 ILE H H 8.521 0.030 1
448 46 46 ILE HA H 3.238 0.030 1
449 46 46 ILE HB H 1.655 0.030 1
450 46 46 ILE HD1 H 0.799 0.030 1
451 46 46 ILE HG12 H 0.677 0.030 2
452 46 46 ILE HG13 H 1.337 0.030 2
453 46 46 ILE HG2 H 0.635 0.030 1
454 46 46 ILE C C 175.116 0.300 1
455 46 46 ILE CA C 64.719 0.300 1
456 46 46 ILE CB C 35.175 0.300 1
457 46 46 ILE CD1 C 11.744 0.300 1
458 46 46 ILE CG1 C 27.274 0.300 1
459 46 46 ILE CG2 C 13.996 0.300 1
460 46 46 ILE N N 122.152 0.300 1
461 47 47 ILE H H 7.945 0.030 1
462 47 47 ILE HA H 3.249 0.030 1
463 47 47 ILE HB H 1.403 0.030 1
464 47 47 ILE HD1 H 0.557 0.030 1
465 47 47 ILE HG12 H 0.492 0.030 2
466 47 47 ILE HG13 H 1.707 0.030 2
467 47 47 ILE HG2 H 0.323 0.030 1
468 47 47 ILE C C 175.722 0.300 1
469 47 47 ILE CA C 64.104 0.300 1
470 47 47 ILE CB C 34.572 0.300 1
471 47 47 ILE CD1 C 11.628 0.300 1
472 47 47 ILE CG1 C 28.175 0.300 1
473 47 47 ILE CG2 C 14.913 0.300 1
474 47 47 ILE N N 117.184 0.300 1
475 48 48 LEU H H 8.689 0.030 1
476 48 48 LEU HA H 3.618 0.030 1
477 48 48 LEU HB2 H 0.989 0.030 2
478 48 48 LEU HB3 H 0.056 0.030 2
479 48 48 LEU HD1 H 0.222 0.030 1
480 48 48 LEU HD2 H 0.279 0.030 1
481 48 48 LEU HG H 1.540 0.030 1
482 48 48 LEU C C 176.506 0.300 1
483 48 48 LEU CA C 55.712 0.300 1
484 48 48 LEU CB C 36.747 0.300 1
485 48 48 LEU CD1 C 18.619 0.300 2
486 48 48 LEU CD2 C 22.666 0.300 2
487 48 48 LEU CG C 23.291 0.300 1
488 48 48 LEU N N 117.561 0.300 1
489 49 49 CYS H H 7.678 0.030 1
490 49 49 CYS HA H 4.188 0.030 1
491 49 49 CYS HB2 H 3.036 0.030 2
492 49 49 CYS HB3 H 2.105 0.030 2
493 49 49 CYS C C 174.252 0.300 1
494 49 49 CYS CA C 63.495 0.300 1
495 49 49 CYS CB C 26.087 0.300 1
496 49 49 CYS N N 116.405 0.300 1
497 50 50 GLU H H 8.484 0.030 1
498 50 50 GLU HA H 3.825 0.030 1
499 50 50 GLU HB2 H 2.010 0.030 2
500 50 50 GLU HB3 H 1.847 0.030 2
501 50 50 GLU HG2 H 2.361 0.030 2
502 50 50 GLU HG3 H 1.993 0.030 2
503 50 50 GLU C C 177.380 0.300 1
504 50 50 GLU CA C 57.571 0.300 1
505 50 50 GLU CB C 26.829 0.300 1
506 50 50 GLU CG C 34.434 0.300 1
507 50 50 GLU N N 119.430 0.300 1
508 51 51 PHE H H 8.782 0.030 1
509 51 51 PHE HA H 3.841 0.030 1
510 51 51 PHE HB2 H 3.234 0.030 2
511 51 51 PHE HB3 H 2.868 0.030 2
512 51 51 PHE HD1 H 6.667 0.030 1
513 51 51 PHE HD2 H 6.667 0.030 1
514 51 51 PHE HE1 H 6.095 0.030 1
515 51 51 PHE HE2 H 6.095 0.030 1
516 51 51 PHE C C 174.746 0.300 1
517 51 51 PHE CA C 58.034 0.300 1
518 51 51 PHE CB C 37.053 0.300 1
519 51 51 PHE CD1 C 127.579 0.300 1
520 51 51 PHE CD2 C 127.579 0.300 1
521 51 51 PHE CE1 C 127.820 0.300 1
522 51 51 PHE CE2 C 127.820 0.300 1
523 51 51 PHE N N 119.229 0.300 1
524 52 52 ILE H H 8.373 0.030 1
525 52 52 ILE HA H 3.791 0.030 1
526 52 52 ILE HB H 1.675 0.030 1
527 52 52 ILE HD1 H 0.259 0.030 1
528 52 52 ILE HG12 H 1.241 0.030 2
529 52 52 ILE HG13 H 0.964 0.030 2
530 52 52 ILE HG2 H 1.184 0.030 1
531 52 52 ILE C C 173.520 0.300 1
532 52 52 ILE CA C 57.474 0.300 1
533 52 52 ILE CB C 36.470 0.300 1
534 52 52 ILE CD1 C 12.335 0.300 1
535 52 52 ILE CG1 C 27.374 0.300 1
536 52 52 ILE CG2 C 18.556 0.300 1
537 52 52 ILE N N 117.772 0.300 1
538 53 53 ASN H H 7.441 0.030 1
539 53 53 ASN HA H 4.801 0.030 1
540 53 53 ASN HB2 H 2.800 0.030 2
541 53 53 ASN HB3 H 2.676 0.030 2
542 53 53 ASN HD21 H 7.393 0.030 2
543 53 53 ASN HD22 H 7.322 0.030 2
544 53 53 ASN C C 175.983 0.300 1
545 53 53 ASN CA C 51.584 0.300 1
546 53 53 ASN CB C 35.357 0.300 1
547 53 53 ASN N N 120.978 0.300 1
548 53 53 ASN ND2 N 106.924 0.300 1
549 54 54 LYS H H 7.349 0.030 1
550 54 54 LYS HA H 4.048 0.030 1
551 54 54 LYS HB2 H 1.891 0.030 2
552 54 54 LYS HB3 H 1.451 0.030 2
553 54 54 LYS HD2 H 1.508 0.030 2
554 54 54 LYS HD3 H 1.638 0.030 2
555 54 54 LYS HE2 H 2.956 0.030 2
556 54 54 LYS HG2 H 1.254 0.030 2
557 54 54 LYS HG3 H 1.535 0.030 2
558 54 54 LYS C C 176.592 0.300 1
559 54 54 LYS CA C 54.557 0.300 1
560 54 54 LYS CB C 29.666 0.300 1
561 54 54 LYS CD C 25.923 0.300 1
562 54 54 LYS CE C 39.882 0.300 1
563 54 54 LYS CG C 22.182 0.300 1
564 54 54 LYS N N 118.599 0.300 1
565 55 55 LEU H H 7.004 0.030 1
566 55 55 LEU HA H 3.975 0.030 1
567 55 55 LEU HB2 H 1.167 0.030 2
568 55 55 LEU HB3 H 1.018 0.030 2
569 55 55 LEU HD1 H 0.015 0.030 1
570 55 55 LEU HD2 H 0.533 0.030 1
571 55 55 LEU HG H 0.960 0.030 1
572 55 55 LEU C C 175.533 0.300 1
573 55 55 LEU CA C 54.410 0.300 1
574 55 55 LEU CB C 39.593 0.300 1
575 55 55 LEU CD1 C 22.170 0.300 2
576 55 55 LEU CD2 C 19.377 0.300 2
577 55 55 LEU CG C 24.297 0.300 1
578 55 55 LEU N N 117.549 0.300 1
579 56 56 GLN H H 8.497 0.030 1
580 56 56 GLN HA H 4.534 0.030 1
581 56 56 GLN HB2 H 1.695 0.030 2
582 56 56 GLN HB3 H 1.824 0.030 2
583 56 56 GLN HE21 H 7.473 0.030 2
584 56 56 GLN HE22 H 6.697 0.030 2
585 56 56 GLN HG2 H 1.978 0.030 2
586 56 56 GLN HG3 H 2.251 0.030 2
587 56 56 GLN C C 168.090 0.300 1
588 56 56 GLN CA C 50.717 0.300 1
589 56 56 GLN CB C 27.789 0.300 1
590 56 56 GLN CG C 32.589 0.300 1
591 56 56 GLN N N 119.113 0.300 1
592 56 56 GLN NE2 N 109.177 0.300 1
593 57 57 PRO HA H 4.718 0.030 1
594 57 57 PRO HB2 H 2.232 0.030 2
595 57 57 PRO HB3 H 1.738 0.030 2
596 57 57 PRO HD2 H 3.315 0.030 2
597 57 57 PRO HD3 H 3.533 0.030 2
598 57 57 PRO HG2 H 1.930 0.030 2
599 57 57 PRO HG3 H 2.036 0.030 2
600 57 57 PRO C C 175.578 0.300 1
601 57 57 PRO CA C 62.137 0.300 1
602 57 57 PRO CB C 29.514 0.300 1
603 57 57 PRO CD C 47.901 0.300 1
604 57 57 PRO CG C 25.036 0.300 1
605 58 58 GLY H H 8.734 0.030 1
606 58 58 GLY HA2 H 3.991 0.030 2
607 58 58 GLY HA3 H 3.566 0.030 2
608 58 58 GLY C C 172.056 0.300 1
609 58 58 GLY CA C 42.723 0.300 1
610 58 58 GLY N N 111.298 0.300 1
611 59 59 SER H H 7.789 0.030 1
612 59 59 SER HA H 4.050 0.030 1
613 59 59 SER HB2 H 3.593 0.030 2
614 59 59 SER HB3 H 4.068 0.030 2
615 59 59 SER C C 172.132 0.300 1
616 59 59 SER CA C 60.941 0.300 1
617 59 59 SER CB C 61.593 0.300 1
618 59 59 SER N N 116.967 0.300 1
619 60 60 VAL H H 9.498 0.030 1
620 60 60 VAL HA H 4.088 0.030 1
621 60 60 VAL HB H 1.751 0.030 1
622 60 60 VAL HG1 H 0.792 0.030 1
623 60 60 VAL HG2 H 0.637 0.030 1
624 60 60 VAL C C 174.063 0.300 1
625 60 60 VAL CA C 59.816 0.300 1
626 60 60 VAL CB C 30.630 0.300 1
627 60 60 VAL CG1 C 20.137 0.300 2
628 60 60 VAL CG2 C 18.594 0.300 2
629 60 60 VAL N N 122.962 0.300 1
630 61 61 LYS H H 7.675 0.030 1
631 61 61 LYS HA H 3.852 0.030 1
632 61 61 LYS HB2 H 1.724 0.030 2
633 61 61 LYS HB3 H 1.682 0.030 2
634 61 61 LYS HD2 H 1.570 0.030 1
635 61 61 LYS HD3 H 1.570 0.030 1
636 61 61 LYS HE2 H 2.932 0.030 1
637 61 61 LYS HE3 H 2.932 0.030 1
638 61 61 LYS HG2 H 1.376 0.030 2
639 61 61 LYS HG3 H 1.297 0.030 2
640 61 61 LYS C C 173.513 0.300 1
641 61 61 LYS CA C 56.531 0.300 1
642 61 61 LYS CB C 29.983 0.300 1
643 61 61 LYS CD C 26.357 0.300 1
644 61 61 LYS CE C 39.842 0.300 1
645 61 61 LYS CG C 22.766 0.300 1
646 61 61 LYS N N 118.289 0.300 1
647 62 62 LYS H H 7.668 0.030 1
648 62 62 LYS HA H 4.351 0.030 1
649 62 62 LYS HB2 H 1.607 0.030 2
650 62 62 LYS HB3 H 1.480 0.030 2
651 62 62 LYS HD2 H 1.527 0.030 1
652 62 62 LYS HD3 H 1.527 0.030 1
653 62 62 LYS HE2 H 2.863 0.030 1
654 62 62 LYS HE3 H 2.863 0.030 1
655 62 62 LYS HG2 H 1.168 0.030 2
656 62 62 LYS HG3 H 1.004 0.030 2
657 62 62 LYS C C 171.380 0.300 1
658 62 62 LYS CA C 52.988 0.300 1
659 62 62 LYS CB C 32.224 0.300 1
660 62 62 LYS CD C 26.669 0.300 1
661 62 62 LYS CE C 39.762 0.300 1
662 62 62 LYS CG C 22.193 0.300 1
663 62 62 LYS N N 118.268 0.300 1
664 63 63 ILE H H 8.727 0.030 1
665 63 63 ILE HA H 3.642 0.030 1
666 63 63 ILE HB H 1.573 0.030 1
667 63 63 ILE HD1 H 0.688 0.030 1
668 63 63 ILE HG12 H 0.470 0.030 2
669 63 63 ILE HG13 H 1.368 0.030 2
670 63 63 ILE HG2 H 0.698 0.030 1
671 63 63 ILE C C 173.240 0.300 1
672 63 63 ILE CA C 59.038 0.300 1
673 63 63 ILE CB C 36.829 0.300 1
674 63 63 ILE CD1 C 11.917 0.300 1
675 63 63 ILE CG1 C 25.887 0.300 1
676 63 63 ILE CG2 C 16.056 0.300 1
677 63 63 ILE N N 127.319 0.300 1
678 64 64 ASN H H 9.261 0.030 1
679 64 64 ASN HA H 4.422 0.030 1
680 64 64 ASN HB2 H 2.481 0.030 2
681 64 64 ASN HB3 H 2.173 0.030 2
682 64 64 ASN HD21 H 7.144 0.030 2
683 64 64 ASN HD22 H 8.061 0.030 2
684 64 64 ASN C C 173.043 0.300 1
685 64 64 ASN CA C 51.277 0.300 1
686 64 64 ASN CB C 37.681 0.300 1
687 64 64 ASN N N 125.618 0.300 1
688 64 64 ASN ND2 N 117.348 0.300 1
689 65 65 GLU H H 8.784 0.030 1
690 65 65 GLU HA H 4.296 0.030 1
691 65 65 GLU HB2 H 1.982 0.030 2
692 65 65 GLU HB3 H 1.786 0.030 2
693 65 65 GLU HG2 H 2.083 0.030 2
694 65 65 GLU HG3 H 1.966 0.030 2
695 65 65 GLU C C 173.064 0.300 1
696 65 65 GLU CA C 53.437 0.300 1
697 65 65 GLU CB C 26.946 0.300 1
698 65 65 GLU CG C 34.021 0.300 1
699 65 65 GLU N N 124.377 0.300 1
700 66 66 SER H H 7.478 0.030 1
701 66 66 SER HA H 4.575 0.030 1
702 66 66 SER HB2 H 3.713 0.030 2
703 66 66 SER HB3 H 3.415 0.030 2
704 66 66 SER C C 172.307 0.300 1
705 66 66 SER CA C 54.574 0.300 1
706 66 66 SER CB C 61.809 0.300 1
707 66 66 SER N N 114.704 0.300 1
708 67 67 THR H H 8.162 0.030 1
709 67 67 THR HA H 4.210 0.030 1
710 67 67 THR HB H 4.410 0.030 1
711 67 67 THR HG2 H 1.155 0.030 1
712 67 67 THR C C 172.218 0.300 1
713 67 67 THR CA C 59.743 0.300 1
714 67 67 THR CB C 66.715 0.300 1
715 67 67 THR CG2 C 19.396 0.300 1
716 67 67 THR N N 112.375 0.300 1
717 68 68 GLN H H 8.482 0.030 1
718 68 68 GLN HA H 4.216 0.030 1
719 68 68 GLN HB2 H 1.371 0.030 2
720 68 68 GLN HB3 H 2.105 0.030 2
721 68 68 GLN HE21 H 7.390 0.030 2
722 68 68 GLN HE22 H 6.833 0.030 2
723 68 68 GLN HG2 H 2.215 0.030 1
724 68 68 GLN HG3 H 2.215 0.030 1
725 68 68 GLN CA C 53.437 0.300 1
726 68 68 GLN CB C 26.147 0.300 1
727 68 68 GLN CG C 31.320 0.300 1
728 68 68 GLN N N 121.215 0.300 1
729 68 68 GLN NE2 N 112.023 0.300 1
730 69 69 ASN HA H 4.236 0.030 1
731 69 69 ASN HB2 H 2.769 0.030 2
732 69 69 ASN HB3 H 2.853 0.030 2
733 69 69 ASN HD21 H 7.609 0.030 2
734 69 69 ASN HD22 H 6.897 0.030 2
735 69 69 ASN C C 175.251 0.300 1
736 69 69 ASN CA C 54.662 0.300 1
737 69 69 ASN CB C 35.112 0.300 1
738 69 69 ASN ND2 N 111.136 0.300 1
739 70 70 TRP H H 8.160 0.030 1
740 70 70 TRP HA H 4.224 0.030 1
741 70 70 TRP HB2 H 3.236 0.030 2
742 70 70 TRP HB3 H 3.102 0.030 2
743 70 70 TRP HD1 H 6.941 0.030 1
744 70 70 TRP HE1 H 9.727 0.030 1
745 70 70 TRP HE3 H 7.315 0.030 1
746 70 70 TRP HH2 H 7.150 0.030 1
747 70 70 TRP HZ2 H 7.332 0.030 1
748 70 70 TRP HZ3 H 7.072 0.030 1
749 70 70 TRP C C 176.267 0.300 1
750 70 70 TRP CA C 57.622 0.300 1
751 70 70 TRP CB C 24.892 0.300 1
752 70 70 TRP CD1 C 125.134 0.300 1
753 70 70 TRP CE3 C 117.880 0.300 1
754 70 70 TRP CH2 C 122.555 0.300 1
755 70 70 TRP CZ2 C 112.526 0.300 1
756 70 70 TRP CZ3 C 120.203 0.300 1
757 70 70 TRP N N 116.393 0.300 1
758 70 70 TRP NE1 N 129.395 0.300 1
759 71 71 HIS H H 6.425 0.030 1
760 71 71 HIS HA H 4.040 0.030 1
761 71 71 HIS HB2 H 3.037 0.030 2
762 71 71 HIS HB3 H 2.735 0.030 2
763 71 71 HIS HD2 H 6.203 0.030 1
764 71 71 HIS HE1 H 7.591 0.030 1
765 71 71 HIS C C 176.076 0.300 1
766 71 71 HIS CA C 56.037 0.300 1
767 71 71 HIS CB C 29.550 0.300 1
768 71 71 HIS CD2 C 114.057 0.300 1
769 71 71 HIS CE1 C 136.017 0.300 1
770 71 71 HIS N N 119.931 0.300 1
771 72 72 GLN H H 7.433 0.030 1
772 72 72 GLN HA H 4.149 0.030 1
773 72 72 GLN HB2 H 2.373 0.030 2
774 72 72 GLN HB3 H 2.175 0.030 2
775 72 72 GLN HE21 H 7.059 0.030 2
776 72 72 GLN HE22 H 6.660 0.030 2
777 72 72 GLN HG2 H 2.536 0.030 2
778 72 72 GLN HG3 H 2.417 0.030 2
779 72 72 GLN C C 176.065 0.300 1
780 72 72 GLN CA C 56.968 0.300 1
781 72 72 GLN CB C 26.310 0.300 1
782 72 72 GLN CG C 31.938 0.300 1
783 72 72 GLN N N 121.030 0.300 1
784 72 72 GLN NE2 N 108.312 0.300 1
785 73 73 LEU H H 8.027 0.030 1
786 73 73 LEU HA H 3.718 0.030 1
787 73 73 LEU HB2 H 1.482 0.030 2
788 73 73 LEU HB3 H 1.197 0.030 2
789 73 73 LEU HD1 H 0.520 0.030 1
790 73 73 LEU HD2 H 0.438 0.030 1
791 73 73 LEU HG H 0.687 0.030 1
792 73 73 LEU C C 178.200 0.300 1
793 73 73 LEU CA C 55.700 0.300 1
794 73 73 LEU CB C 39.333 0.300 1
795 73 73 LEU CD1 C 22.483 0.300 2
796 73 73 LEU CD2 C 21.055 0.300 2
797 73 73 LEU CG C 24.995 0.300 1
798 73 73 LEU N N 118.618 0.300 1
799 74 74 GLU H H 7.884 0.030 1
800 74 74 GLU HA H 4.017 0.030 1
801 74 74 GLU HB2 H 1.914 0.030 2
802 74 74 GLU HB3 H 1.958 0.030 2
803 74 74 GLU HG2 H 2.205 0.030 2
804 74 74 GLU HG3 H 2.123 0.030 2
805 74 74 GLU C C 176.103 0.300 1
806 74 74 GLU CA C 57.173 0.300 1
807 74 74 GLU CB C 27.465 0.300 1
808 74 74 GLU CG C 34.463 0.300 1
809 74 74 GLU N N 121.584 0.300 1
810 75 75 ASN H H 7.661 0.030 1
811 75 75 ASN HA H 4.547 0.030 1
812 75 75 ASN HB2 H 3.767 0.030 2
813 75 75 ASN HB3 H 2.846 0.030 2
814 75 75 ASN HD21 H 8.042 0.030 1
815 75 75 ASN HD22 H 8.042 0.030 1
816 75 75 ASN C C 175.349 0.300 1
817 75 75 ASN CA C 53.373 0.300 1
818 75 75 ASN CB C 35.715 0.300 1
819 75 75 ASN N N 117.910 0.300 1
820 75 75 ASN ND2 N 110.983 0.300 1
821 76 76 ILE H H 8.288 0.030 1
822 76 76 ILE HA H 3.561 0.030 1
823 76 76 ILE HB H 1.937 0.030 1
824 76 76 ILE HD1 H 1.145 0.030 1
825 76 76 ILE HG12 H 0.916 0.030 2
826 76 76 ILE HG13 H 1.950 0.030 2
827 76 76 ILE HG2 H 1.207 0.030 1
828 76 76 ILE C C 175.939 0.300 1
829 76 76 ILE CA C 63.765 0.300 1
830 76 76 ILE CB C 36.033 0.300 1
831 76 76 ILE CD1 C 11.249 0.300 1
832 76 76 ILE CG1 C 27.137 0.300 1
833 76 76 ILE CG2 C 16.480 0.300 1
834 76 76 ILE N N 119.487 0.300 1
835 77 77 GLY H H 8.749 0.030 1
836 77 77 GLY HA2 H 3.971 0.030 2
837 77 77 GLY HA3 H 3.807 0.030 2
838 77 77 GLY C C 174.687 0.300 1
839 77 77 GLY CA C 44.983 0.300 1
840 77 77 GLY N N 106.809 0.300 1
841 78 78 ASN H H 8.617 0.030 1
842 78 78 ASN HA H 4.733 0.030 1
843 78 78 ASN HB2 H 3.059 0.030 2
844 78 78 ASN HB3 H 2.711 0.030 2
845 78 78 ASN HD21 H 7.136 0.030 2
846 78 78 ASN HD22 H 8.431 0.030 2
847 78 78 ASN C C 176.427 0.300 1
848 78 78 ASN CA C 53.361 0.300 1
849 78 78 ASN CB C 35.287 0.300 1
850 78 78 ASN N N 121.569 0.300 1
851 78 78 ASN ND2 N 115.007 0.300 1
852 79 79 PHE H H 8.570 0.030 1
853 79 79 PHE HA H 4.028 0.030 1
854 79 79 PHE HB2 H 3.507 0.030 2
855 79 79 PHE HB3 H 3.404 0.030 2
856 79 79 PHE HD1 H 7.086 0.030 1
857 79 79 PHE HD2 H 7.086 0.030 1
858 79 79 PHE HE1 H 7.069 0.030 1
859 79 79 PHE HE2 H 7.069 0.030 1
860 79 79 PHE HZ H 6.973 0.030 1
861 79 79 PHE C C 173.917 0.300 1
862 79 79 PHE CA C 59.933 0.300 1
863 79 79 PHE CB C 35.910 0.300 1
864 79 79 PHE CD1 C 129.757 0.300 1
865 79 79 PHE CD2 C 129.757 0.300 1
866 79 79 PHE CE1 C 131.403 0.300 1
867 79 79 PHE CE2 C 131.403 0.300 1
868 79 79 PHE CZ C 127.142 0.300 1
869 79 79 PHE N N 125.357 0.300 1
870 80 80 ILE H H 8.493 0.030 1
871 80 80 ILE HA H 3.112 0.030 1
872 80 80 ILE HB H 1.927 0.030 1
873 80 80 ILE HD1 H 0.573 0.030 1
874 80 80 ILE HG12 H 0.433 0.030 2
875 80 80 ILE HG13 H 1.662 0.030 2
876 80 80 ILE HG2 H 0.729 0.030 1
877 80 80 ILE C C 176.975 0.300 1
878 80 80 ILE CA C 63.785 0.300 1
879 80 80 ILE CB C 35.653 0.300 1
880 80 80 ILE CD1 C 11.437 0.300 1
881 80 80 ILE CG1 C 27.404 0.300 1
882 80 80 ILE CG2 C 13.969 0.300 1
883 80 80 ILE N N 120.933 0.300 1
884 81 81 LYS H H 8.136 0.030 1
885 81 81 LYS HA H 3.885 0.030 1
886 81 81 LYS HB2 H 1.865 0.030 1
887 81 81 LYS HB3 H 1.865 0.030 1
888 81 81 LYS HD2 H 1.721 0.030 2
889 81 81 LYS HD3 H 1.666 0.030 2
890 81 81 LYS HE2 H 2.959 0.030 1
891 81 81 LYS HE3 H 2.959 0.030 1
892 81 81 LYS HG2 H 1.434 0.030 2
893 81 81 LYS HG3 H 1.609 0.030 2
894 81 81 LYS C C 177.030 0.300 1
895 81 81 LYS CA C 57.795 0.300 1
896 81 81 LYS CB C 30.413 0.300 1
897 81 81 LYS CD C 27.181 0.300 1
898 81 81 LYS CE C 39.789 0.300 1
899 81 81 LYS CG C 23.436 0.300 1
900 81 81 LYS N N 121.107 0.300 1
901 82 82 ALA H H 8.027 0.030 1
902 82 82 ALA HA H 4.148 0.030 1
903 82 82 ALA HB H 1.347 0.030 1
904 82 82 ALA C C 179.311 0.300 1
905 82 82 ALA CA C 52.675 0.300 1
906 82 82 ALA CB C 18.108 0.300 1
907 82 82 ALA N N 121.846 0.300 1
908 83 83 ILE H H 8.552 0.030 1
909 83 83 ILE HA H 3.985 0.030 1
910 83 83 ILE HB H 1.622 0.030 1
911 83 83 ILE HD1 H 0.453 0.030 1
912 83 83 ILE HG12 H 1.143 0.030 1
913 83 83 ILE HG13 H 1.143 0.030 1
914 83 83 ILE HG2 H 0.162 0.030 1
915 83 83 ILE C C 174.992 0.300 1
916 83 83 ILE CA C 62.692 0.300 1
917 83 83 ILE CB C 34.789 0.300 1
918 83 83 ILE CD1 C 13.216 0.300 1
919 83 83 ILE CG1 C 23.182 0.300 1
920 83 83 ILE CG2 C 16.645 0.300 1
921 83 83 ILE N N 113.351 0.300 1
922 84 84 THR H H 7.525 0.030 1
923 84 84 THR HA H 4.303 0.030 1
924 84 84 THR HB H 4.299 0.030 1
925 84 84 THR HG2 H 1.106 0.030 1
926 84 84 THR C C 176.138 0.300 1
927 84 84 THR CA C 63.879 0.300 1
928 84 84 THR CB C 65.743 0.300 1
929 84 84 THR CG2 C 18.406 0.300 1
930 84 84 THR N N 121.308 0.300 1
931 85 85 LYS H H 7.468 0.030 1
932 85 85 LYS HA H 3.946 0.030 1
933 85 85 LYS HB2 H 1.909 0.030 2
934 85 85 LYS HB3 H 1.843 0.030 2
935 85 85 LYS HD2 H 1.596 0.030 2
936 85 85 LYS HE2 H 2.889 0.030 2
937 85 85 LYS HG2 H 1.459 0.030 2
938 85 85 LYS HG3 H 1.391 0.030 2
939 85 85 LYS C C 175.606 0.300 1
940 85 85 LYS CA C 56.821 0.300 1
941 85 85 LYS CB C 29.631 0.300 1
942 85 85 LYS CD C 26.851 0.300 1
943 85 85 LYS CE C 39.871 0.300 1
944 85 85 LYS CG C 22.484 0.300 1
945 85 85 LYS N N 123.914 0.300 1
946 86 86 TYR H H 7.750 0.030 1
947 86 86 TYR HA H 4.062 0.030 1
948 86 86 TYR HB2 H 3.001 0.030 2
949 86 86 TYR HB3 H 2.852 0.030 2
950 86 86 TYR HD1 H 6.732 0.030 1
951 86 86 TYR HD2 H 6.732 0.030 1
952 86 86 TYR HE1 H 6.483 0.030 1
953 86 86 TYR HE2 H 6.483 0.030 1
954 86 86 TYR C C 172.742 0.300 1
955 86 86 TYR CA C 57.817 0.300 1
956 86 86 TYR CB C 37.756 0.300 1
957 86 86 TYR CD1 C 130.758 0.300 1
958 86 86 TYR CD2 C 130.758 0.300 1
959 86 86 TYR CE1 C 114.764 0.300 1
960 86 86 TYR CE2 C 114.764 0.300 1
961 86 86 TYR N N 118.657 0.300 1
962 87 87 GLY H H 7.049 0.030 1
963 87 87 GLY HA2 H 4.477 0.030 2
964 87 87 GLY HA3 H 3.450 0.030 2
965 87 87 GLY C C 172.425 0.300 1
966 87 87 GLY CA C 42.181 0.300 1
967 87 87 GLY N N 99.524 0.300 1
968 88 88 VAL H H 7.904 0.030 1
969 88 88 VAL HA H 3.704 0.030 1
970 88 88 VAL HB H 1.553 0.030 1
971 88 88 VAL HG1 H 0.909 0.030 1
972 88 88 VAL HG2 H 0.877 0.030 1
973 88 88 VAL C C 173.368 0.300 1
974 88 88 VAL CA C 61.573 0.300 1
975 88 88 VAL CB C 28.977 0.300 1
976 88 88 VAL CG1 C 20.047 0.300 2
977 88 88 VAL CG2 C 21.087 0.300 2
978 88 88 VAL N N 122.156 0.300 1
979 89 89 LYS H H 9.084 0.030 1
980 89 89 LYS HA H 4.190 0.030 1
981 89 89 LYS HB2 H 1.458 0.030 1
982 89 89 LYS HB3 H 1.458 0.030 1
983 89 89 LYS HD2 H 1.613 0.030 2
984 89 89 LYS HD3 H 1.684 0.030 2
985 89 89 LYS HE2 H 2.982 0.030 2
986 89 89 LYS HG2 H 1.580 0.030 2
987 89 89 LYS HG3 H 1.513 0.030 2
988 89 89 LYS C C 174.257 0.300 1
989 89 89 LYS CA C 52.264 0.300 1
990 89 89 LYS CB C 28.651 0.300 1
991 89 89 LYS CD C 26.364 0.300 1
992 89 89 LYS CE C 40.009 0.300 1
993 89 89 LYS CG C 22.743 0.300 1
994 89 89 LYS N N 129.304 0.300 1
995 90 90 PRO HA H 3.951 0.030 1
996 90 90 PRO HB2 H 2.258 0.030 2
997 90 90 PRO HB3 H 1.888 0.030 2
998 90 90 PRO HD2 H 3.669 0.030 2
999 90 90 PRO HD3 H 3.818 0.030 2
1000 90 90 PRO HG2 H 2.100 0.030 2
1001 90 90 PRO HG3 H 1.911 0.030 2
1002 90 90 PRO C C 176.539 0.300 1
1003 90 90 PRO CA C 63.482 0.300 1
1004 90 90 PRO CB C 29.527 0.300 1
1005 90 90 PRO CD C 48.016 0.300 1
1006 90 90 PRO CG C 25.601 0.300 1
1007 91 91 HIS H H 7.661 0.030 1
1008 91 91 HIS HA H 4.384 0.030 1
1009 91 91 HIS HB2 H 3.183 0.030 2
1010 91 91 HIS HB3 H 2.915 0.030 2
1011 91 91 HIS HD2 H 6.913 0.030 1
1012 91 91 HIS HE1 H 7.759 0.030 1
1013 91 91 HIS C C 173.373 0.300 1
1014 91 91 HIS CA C 55.430 0.300 1
1015 91 91 HIS CB C 27.116 0.300 1
1016 91 91 HIS CD2 C 117.542 0.300 1
1017 91 91 HIS CE1 C 136.018 0.300 1
1018 91 91 HIS N N 112.106 0.300 1
1019 92 92 ASP H H 7.872 0.030 1
1020 92 92 ASP HA H 4.839 0.030 1
1021 92 92 ASP HB2 H 2.491 0.030 2
1022 92 92 ASP HB3 H 2.658 0.030 2
1023 92 92 ASP C C 173.948 0.300 1
1024 92 92 ASP CA C 51.838 0.300 1
1025 92 92 ASP CB C 39.692 0.300 1
1026 92 92 ASP N N 118.090 0.300 1
1027 93 93 ILE H H 7.325 0.030 1
1028 93 93 ILE HA H 3.917 0.030 1
1029 93 93 ILE HB H 1.646 0.030 1
1030 93 93 ILE HD1 H 0.519 0.030 1
1031 93 93 ILE HG12 H 0.387 0.030 2
1032 93 93 ILE HG13 H 1.712 0.030 2
1033 93 93 ILE HG2 H 0.756 0.030 1
1034 93 93 ILE C C 172.013 0.300 1
1035 93 93 ILE CA C 60.467 0.300 1
1036 93 93 ILE CB C 36.498 0.300 1
1037 93 93 ILE CD1 C 12.293 0.300 1
1038 93 93 ILE CG1 C 25.985 0.300 1
1039 93 93 ILE CG2 C 16.182 0.300 1
1040 93 93 ILE N N 121.198 0.300 1
1041 94 94 PHE H H 7.117 0.030 1
1042 94 94 PHE HA H 4.444 0.030 1
1043 94 94 PHE HB2 H 3.739 0.030 2
1044 94 94 PHE HB3 H 2.732 0.030 2
1045 94 94 PHE HD1 H 7.592 0.030 1
1046 94 94 PHE HD2 H 7.592 0.030 1
1047 94 94 PHE HE1 H 7.196 0.030 1
1048 94 94 PHE HE2 H 7.196 0.030 1
1049 94 94 PHE HZ H 7.089 0.030 1
1050 94 94 PHE C C 170.688 0.300 1
1051 94 94 PHE CA C 53.904 0.300 1
1052 94 94 PHE CB C 36.436 0.300 1
1053 94 94 PHE CD1 C 131.637 0.300 1
1054 94 94 PHE CD2 C 131.637 0.300 1
1055 94 94 PHE CE1 C 127.721 0.300 1
1056 94 94 PHE CE2 C 127.721 0.300 1
1057 94 94 PHE CZ C 126.197 0.300 1
1058 94 94 PHE N N 123.294 0.300 1
1059 95 95 GLU H H 8.660 0.030 1
1060 95 95 GLU HA H 4.365 0.030 1
1061 95 95 GLU HB2 H 2.131 0.030 2
1062 95 95 GLU HB3 H 1.877 0.030 2
1063 95 95 GLU HG2 H 2.299 0.030 2
1064 95 95 GLU HG3 H 2.393 0.030 2
1065 95 95 GLU C C 176.769 0.300 1
1066 95 95 GLU CA C 52.916 0.300 1
1067 95 95 GLU CB C 28.404 0.300 1
1068 95 95 GLU CG C 34.467 0.300 1
1069 95 95 GLU N N 119.626 0.300 1
1070 96 96 ALA H H 9.141 0.030 1
1071 96 96 ALA HA H 3.990 0.030 1
1072 96 96 ALA HB H 1.344 0.030 1
1073 96 96 ALA C C 177.505 0.300 1
1074 96 96 ALA CA C 54.858 0.300 1
1075 96 96 ALA CB C 16.112 0.300 1
1076 96 96 ALA N N 126.482 0.300 1
1077 97 97 ASN H H 8.979 0.030 1
1078 97 97 ASN HA H 4.540 0.030 1
1079 97 97 ASN HB2 H 2.811 0.030 1
1080 97 97 ASN HB3 H 2.811 0.030 1
1081 97 97 ASN HD21 H 6.656 0.030 2
1082 97 97 ASN HD22 H 7.512 0.030 2
1083 97 97 ASN C C 174.584 0.300 1
1084 97 97 ASN CA C 53.831 0.300 1
1085 97 97 ASN CB C 35.687 0.300 1
1086 97 97 ASN N N 113.091 0.300 1
1087 97 97 ASN ND2 N 110.812 0.300 1
1088 98 98 ASP H H 8.261 0.030 1
1089 98 98 ASP HA H 4.416 0.030 1
1090 98 98 ASP HB2 H 3.073 0.030 2
1091 98 98 ASP HB3 H 2.709 0.030 2
1092 98 98 ASP C C 175.342 0.300 1
1093 98 98 ASP CA C 55.122 0.300 1
1094 98 98 ASP CB C 38.644 0.300 1
1095 98 98 ASP N N 120.769 0.300 1
1096 99 99 LEU H H 6.745 0.030 1
1097 99 99 LEU HA H 4.254 0.030 1
1098 99 99 LEU HB2 H 1.801 0.030 2
1099 99 99 LEU HB3 H 0.962 0.030 2
1100 99 99 LEU HD1 H 0.656 0.030 1
1101 99 99 LEU HD2 H 0.663 0.030 1
1102 99 99 LEU HG H 1.309 0.030 1
1103 99 99 LEU C C 175.753 0.300 1
1104 99 99 LEU CA C 53.745 0.300 1
1105 99 99 LEU CB C 41.414 0.300 1
1106 99 99 LEU CD1 C 20.778 0.300 2
1107 99 99 LEU CD2 C 23.782 0.300 2
1108 99 99 LEU CG C 25.548 0.300 1
1109 99 99 LEU N N 113.906 0.300 1
1110 100 100 PHE H H 8.527 0.030 1
1111 100 100 PHE HA H 4.015 0.030 1
1112 100 100 PHE HB2 H 3.008 0.030 1
1113 100 100 PHE HB3 H 3.008 0.030 1
1114 100 100 PHE HD1 H 7.256 0.030 1
1115 100 100 PHE HD2 H 7.256 0.030 1
1116 100 100 PHE HE1 H 7.365 0.030 1
1117 100 100 PHE HE2 H 7.365 0.030 1
1118 100 100 PHE HZ H 7.120 0.030 1
1119 100 100 PHE C C 173.596 0.300 1
1120 100 100 PHE CA C 60.286 0.300 1
1121 100 100 PHE CB C 38.610 0.300 1
1122 100 100 PHE CD1 C 129.486 0.300 1
1123 100 100 PHE CD2 C 129.486 0.300 1
1124 100 100 PHE CE1 C 129.480 0.300 1
1125 100 100 PHE CE2 C 129.480 0.300 1
1126 100 100 PHE CZ C 127.390 0.300 1
1127 100 100 PHE N N 117.856 0.300 1
1128 101 101 GLU H H 8.224 0.030 1
1129 101 101 GLU HA H 4.311 0.030 1
1130 101 101 GLU HB2 H 2.195 0.030 2
1131 101 101 GLU HB3 H 1.907 0.030 2
1132 101 101 GLU HG2 H 2.122 0.030 2
1133 101 101 GLU HG3 H 2.381 0.030 2
1134 101 101 GLU C C 173.799 0.300 1
1135 101 101 GLU CA C 52.969 0.300 1
1136 101 101 GLU CB C 27.388 0.300 1
1137 101 101 GLU CG C 34.147 0.300 1
1138 101 101 GLU N N 112.016 0.300 1
1139 102 102 ASN H H 7.474 0.030 1
1140 102 102 ASN HA H 4.122 0.030 1
1141 102 102 ASN HB2 H 2.924 0.030 2
1142 102 102 ASN HB3 H 2.654 0.030 2
1143 102 102 ASN HD21 H 6.711 0.030 2
1144 102 102 ASN HD22 H 7.647 0.030 2
1145 102 102 ASN C C 172.863 0.300 1
1146 102 102 ASN CA C 51.810 0.300 1
1147 102 102 ASN CB C 34.525 0.300 1
1148 102 102 ASN N N 113.738 0.300 1
1149 102 102 ASN ND2 N 111.572 0.300 1
1150 103 103 THR H H 7.628 0.030 1
1151 103 103 THR HA H 4.060 0.030 1
1152 103 103 THR HB H 4.134 0.030 1
1153 103 103 THR HG2 H 1.083 0.030 1
1154 103 103 THR C C 175.447 0.300 1
1155 103 103 THR CA C 60.938 0.300 1
1156 103 103 THR CB C 66.937 0.300 1
1157 103 103 THR CG2 C 20.086 0.300 1
1158 103 103 THR N N 109.307 0.300 1
1159 104 104 ASN H H 8.338 0.030 1
1160 104 104 ASN HA H 4.738 0.030 1
1161 104 104 ASN HB2 H 2.941 0.030 2
1162 104 104 ASN HB3 H 2.638 0.030 2
1163 104 104 ASN HD21 H 7.799 0.030 2
1164 104 104 ASN HD22 H 6.878 0.030 2
1165 104 104 ASN CA C 50.190 0.300 1
1166 104 104 ASN CB C 35.016 0.300 1
1167 104 104 ASN N N 118.321 0.300 1
1168 104 104 ASN ND2 N 112.170 0.300 1
1169 105 105 HIS H H 8.956 0.030 1
1170 105 105 HIS HA H 4.303 0.030 1
1171 105 105 HIS HB2 H 2.955 0.030 1
1172 105 105 HIS HB3 H 2.955 0.030 1
1173 105 105 HIS HD2 H 6.791 0.030 1
1174 105 105 HIS HE1 H 7.676 0.030 1
1175 105 105 HIS CA C 55.807 0.300 1
1176 105 105 HIS CB C 28.413 0.300 1
1177 105 105 HIS CD2 C 114.713 0.300 1
1178 105 105 HIS CE1 C 136.969 0.300 1
1179 105 105 HIS N N 122.714 0.300 1
1180 106 106 THR H H 8.487 0.030 1
1181 106 106 THR HA H 4.206 0.030 1
1182 106 106 THR HB H 3.900 0.030 1
1183 106 106 THR HG2 H 1.064 0.030 1
1184 106 106 THR C C 173.843 0.300 1
1185 106 106 THR CA C 65.311 0.300 1
1186 106 106 THR CB C 65.226 0.300 1
1187 106 106 THR CG2 C 20.130 0.300 1
1188 106 106 THR N N 116.594 0.300 1
1189 107 107 GLN H H 7.645 0.030 1
1190 107 107 GLN HA H 4.099 0.030 1
1191 107 107 GLN HB2 H 2.116 0.030 2
1192 107 107 GLN HB3 H 1.906 0.030 2
1193 107 107 GLN HE21 H 7.164 0.030 2
1194 107 107 GLN HE22 H 6.690 0.030 2
1195 107 107 GLN HG2 H 2.200 0.030 2
1196 107 107 GLN HG3 H 2.608 0.030 2
1197 107 107 GLN C C 175.848 0.300 1
1198 107 107 GLN CA C 55.632 0.300 1
1199 107 107 GLN CB C 26.254 0.300 1
1200 107 107 GLN CG C 31.533 0.300 1
1201 107 107 GLN N N 122.299 0.300 1
1202 107 107 GLN NE2 N 113.095 0.300 1
1203 108 108 VAL H H 7.425 0.030 1
1204 108 108 VAL HA H 3.527 0.030 1
1205 108 108 VAL HB H 2.061 0.030 1
1206 108 108 VAL HG1 H 0.448 0.030 1
1207 108 108 VAL HG2 H 0.357 0.030 1
1208 108 108 VAL C C 175.603 0.300 1
1209 108 108 VAL CA C 64.104 0.300 1
1210 108 108 VAL CB C 28.459 0.300 1
1211 108 108 VAL CG1 C 17.600 0.300 2
1212 108 108 VAL CG2 C 19.012 0.300 2
1213 108 108 VAL N N 118.115 0.300 1
1214 109 109 GLN H H 8.186 0.030 1
1215 109 109 GLN HA H 3.677 0.030 1
1216 109 109 GLN HB2 H 2.250 0.030 2
1217 109 109 GLN HB3 H 1.989 0.030 2
1218 109 109 GLN HE21 H 6.546 0.030 2
1219 109 109 GLN HE22 H 6.252 0.030 2
1220 109 109 GLN HG2 H 1.856 0.030 2
1221 109 109 GLN HG3 H 1.782 0.030 2
1222 109 109 GLN C C 175.010 0.300 1
1223 109 109 GLN CA C 58.805 0.300 1
1224 109 109 GLN CB C 26.949 0.300 1
1225 109 109 GLN CG C 33.507 0.300 1
1226 109 109 GLN N N 117.914 0.300 1
1227 109 109 GLN NE2 N 110.145 0.300 1
1228 110 110 SER H H 8.668 0.030 1
1229 110 110 SER HA H 4.081 0.030 1
1230 110 110 SER HB2 H 4.065 0.030 2
1231 110 110 SER C C 175.864 0.300 1
1232 110 110 SER CA C 60.392 0.300 1
1233 110 110 SER CB C 60.195 0.300 1
1234 110 110 SER N N 114.980 0.300 1
1235 111 111 THR H H 8.848 0.030 1
1236 111 111 THR HA H 4.182 0.030 1
1237 111 111 THR HB H 4.690 0.030 1
1238 111 111 THR HG2 H 1.379 0.030 1
1239 111 111 THR C C 174.154 0.300 1
1240 111 111 THR CA C 64.639 0.300 1
1241 111 111 THR CB C 66.306 0.300 1
1242 111 111 THR CG2 C 22.217 0.300 1
1243 111 111 THR N N 119.874 0.300 1
1244 112 112 LEU H H 8.186 0.030 1
1245 112 112 LEU HA H 4.301 0.030 1
1246 112 112 LEU HB2 H 2.240 0.030 2
1247 112 112 LEU HB3 H 1.593 0.030 2
1248 112 112 LEU HD1 H 0.906 0.030 1
1249 112 112 LEU HD2 H 0.948 0.030 1
1250 112 112 LEU HG H 2.239 0.030 1
1251 112 112 LEU C C 176.638 0.300 1
1252 112 112 LEU CA C 55.934 0.300 1
1253 112 112 LEU CB C 39.834 0.300 1
1254 112 112 LEU CD1 C 23.587 0.300 2
1255 112 112 LEU CD2 C 19.373 0.300 2
1256 112 112 LEU CG C 24.616 0.300 1
1257 112 112 LEU N N 120.395 0.300 1
1258 113 113 LEU H H 8.705 0.030 1
1259 113 113 LEU HA H 4.144 0.030 1
1260 113 113 LEU HB2 H 2.011 0.030 2
1261 113 113 LEU HB3 H 1.462 0.030 2
1262 113 113 LEU HD1 H 0.736 0.030 1
1263 113 113 LEU HD2 H 0.679 0.030 1
1264 113 113 LEU HG H 1.801 0.030 1
1265 113 113 LEU C C 177.270 0.300 1
1266 113 113 LEU CA C 55.596 0.300 1
1267 113 113 LEU CB C 38.295 0.300 1
1268 113 113 LEU CD1 C 23.476 0.300 2
1269 113 113 LEU CD2 C 20.791 0.300 2
1270 113 113 LEU CG C 24.235 0.300 1
1271 113 113 LEU N N 119.865 0.300 1
1272 114 114 ALA H H 8.370 0.030 1
1273 114 114 ALA HA H 4.281 0.030 1
1274 114 114 ALA HB H 1.651 0.030 1
1275 114 114 ALA C C 179.290 0.300 1
1276 114 114 ALA CA C 52.797 0.300 1
1277 114 114 ALA CB C 15.298 0.300 1
1278 114 114 ALA N N 125.317 0.300 1
1279 115 115 LEU H H 8.780 0.030 1
1280 115 115 LEU HA H 4.155 0.030 1
1281 115 115 LEU HB2 H 2.677 0.030 2
1282 115 115 LEU HB3 H 1.507 0.030 2
1283 115 115 LEU HD1 H 0.802 0.030 1
1284 115 115 LEU HD2 H 1.030 0.030 1
1285 115 115 LEU HG H 1.888 0.030 1
1286 115 115 LEU C C 175.493 0.300 1
1287 115 115 LEU CA C 55.685 0.300 1
1288 115 115 LEU CB C 39.901 0.300 1
1289 115 115 LEU CD1 C 21.832 0.300 2
1290 115 115 LEU CD2 C 24.923 0.300 2
1291 115 115 LEU CG C 25.186 0.300 1
1292 115 115 LEU N N 121.869 0.300 1
1293 116 116 ALA H H 8.497 0.030 1
1294 116 116 ALA HA H 4.047 0.030 1
1295 116 116 ALA HB H 1.118 0.030 1
1296 116 116 ALA C C 176.799 0.300 1
1297 116 116 ALA CA C 53.311 0.300 1
1298 116 116 ALA CB C 14.832 0.300 1
1299 116 116 ALA N N 122.780 0.300 1
1300 117 117 SER H H 8.046 0.030 1
1301 117 117 SER HA H 4.019 0.030 1
1302 117 117 SER HB2 H 3.978 0.030 2
1303 117 117 SER C C 175.320 0.300 1
1304 117 117 SER CA C 59.677 0.300 1
1305 117 117 SER CB C 60.573 0.300 1
1306 117 117 SER N N 112.140 0.300 1
1307 118 118 MET H H 8.088 0.030 1
1308 118 118 MET HA H 4.578 0.030 1
1309 118 118 MET HB2 H 2.204 0.030 2
1310 118 118 MET HB3 H 2.123 0.030 2
1311 118 118 MET HE H 1.947 0.030 1
1312 118 118 MET HG2 H 2.436 0.030 2
1313 118 118 MET HG3 H 2.097 0.030 2
1314 118 118 MET C C 176.349 0.300 1
1315 118 118 MET CA C 54.291 0.300 1
1316 118 118 MET CB C 28.585 0.300 1
1317 118 118 MET CE C 13.917 0.300 1
1318 118 118 MET CG C 29.784 0.300 1
1319 118 118 MET N N 120.447 0.300 1
1320 119 119 ALA H H 9.332 0.030 1
1321 119 119 ALA HA H 4.676 0.030 1
1322 119 119 ALA HB H 1.731 0.030 1
1323 119 119 ALA C C 179.089 0.300 1
1324 119 119 ALA CA C 52.723 0.300 1
1325 119 119 ALA CB C 16.320 0.300 1
1326 119 119 ALA N N 122.267 0.300 1
1327 120 120 LYS H H 8.152 0.030 1
1328 120 120 LYS HA H 4.395 0.030 1
1329 120 120 LYS HB2 H 1.966 0.030 2
1330 120 120 LYS HB3 H 1.901 0.030 2
1331 120 120 LYS HD2 H 1.567 0.030 2
1332 120 120 LYS HD3 H 1.638 0.030 2
1333 120 120 LYS HE2 H 2.976 0.030 2
1334 120 120 LYS HE3 H 2.775 0.030 2
1335 120 120 LYS HG2 H 1.408 0.030 2
1336 120 120 LYS HG3 H 1.557 0.030 2
1337 120 120 LYS C C 178.411 0.300 1
1338 120 120 LYS CA C 57.361 0.300 1
1339 120 120 LYS CB C 30.578 0.300 1
1340 120 120 LYS CD C 27.675 0.300 1
1341 120 120 LYS CE C 39.954 0.300 1
1342 120 120 LYS CG C 23.555 0.300 1
1343 120 120 LYS N N 120.141 0.300 1
1344 121 121 THR H H 8.006 0.030 1
1345 121 121 THR HA H 4.079 0.030 1
1346 121 121 THR HB H 4.443 0.030 1
1347 121 121 THR HG2 H 1.282 0.030 1
1348 121 121 THR C C 173.545 0.300 1
1349 121 121 THR CA C 63.437 0.300 1
1350 121 121 THR CB C 66.729 0.300 1
1351 121 121 THR CG2 C 19.406 0.300 1
1352 121 121 THR N N 116.434 0.300 1
1353 122 122 LYS H H 7.512 0.030 1
1354 122 122 LYS HA H 4.254 0.030 1
1355 122 122 LYS HB2 H 2.109 0.030 2
1356 122 122 LYS HB3 H 1.632 0.030 2
1357 122 122 LYS HD2 H 1.315 0.030 2
1358 122 122 LYS HD3 H 1.105 0.030 2
1359 122 122 LYS HE2 H 2.429 0.030 2
1360 122 122 LYS HE3 H 2.232 0.030 2
1361 122 122 LYS HG2 H 1.333 0.030 2
1362 122 122 LYS HG3 H 1.207 0.030 2
1363 122 122 LYS C C 174.047 0.300 1
1364 122 122 LYS CA C 54.486 0.300 1
1365 122 122 LYS CB C 30.187 0.300 1
1366 122 122 LYS CD C 27.199 0.300 1
1367 122 122 LYS CE C 40.104 0.300 1
1368 122 122 LYS CG C 23.684 0.300 1
1369 122 122 LYS N N 119.116 0.300 1
1370 123 123 GLY H H 7.768 0.030 1
1371 123 123 GLY HA2 H 4.226 0.030 2
1372 123 123 GLY HA3 H 3.712 0.030 2
1373 123 123 GLY C C 172.235 0.300 1
1374 123 123 GLY CA C 43.291 0.300 1
1375 123 123 GLY N N 105.809 0.300 1
1376 124 124 ASN H H 7.652 0.030 1
1377 124 124 ASN HA H 4.614 0.030 1
1378 124 124 ASN HB2 H 2.604 0.030 2
1379 124 124 ASN HB3 H 2.257 0.030 2
1380 124 124 ASN HD21 H 7.514 0.030 2
1381 124 124 ASN HD22 H 7.475 0.030 2
1382 124 124 ASN C C 172.100 0.300 1
1383 124 124 ASN CA C 51.155 0.300 1
1384 124 124 ASN CB C 37.637 0.300 1
1385 124 124 ASN N N 116.972 0.300 1
1386 124 124 ASN ND2 N 114.630 0.300 1
1387 125 125 LYS H H 8.842 0.030 1
1388 125 125 LYS HA H 4.306 0.030 1
1389 125 125 LYS HB2 H 1.725 0.030 1
1390 125 125 LYS HB3 H 1.725 0.030 1
1391 125 125 LYS HD2 H 1.606 0.030 1
1392 125 125 LYS HD3 H 1.606 0.030 1
1393 125 125 LYS HE2 H 2.969 0.030 2
1394 125 125 LYS HE3 H 2.788 0.030 2
1395 125 125 LYS HG2 H 1.377 0.030 1
1396 125 125 LYS HG3 H 1.377 0.030 1
1397 125 125 LYS C C 173.322 0.300 1
1398 125 125 LYS CA C 53.868 0.300 1
1399 125 125 LYS CB C 28.889 0.300 1
1400 125 125 LYS CD C 26.604 0.300 1
1401 125 125 LYS CE C 39.954 0.300 1
1402 125 125 LYS CG C 22.110 0.300 1
1403 125 125 LYS N N 123.684 0.300 1
1404 126 126 VAL H H 8.172 0.030 1
1405 126 126 VAL HA H 3.649 0.030 1
1406 126 126 VAL HB H 1.468 0.030 1
1407 126 126 VAL HG1 H -0.298 0.030 1
1408 126 126 VAL HG2 H 0.422 0.030 1
1409 126 126 VAL C C 172.597 0.300 1
1410 126 126 VAL CA C 58.964 0.300 1
1411 126 126 VAL CB C 31.938 0.300 1
1412 126 126 VAL CG1 C 17.231 0.300 2
1413 126 126 VAL CG2 C 17.480 0.300 2
1414 126 126 VAL N N 127.212 0.300 1
1415 127 127 ASN H H 9.006 0.030 1
1416 127 127 ASN HA H 4.732 0.030 1
1417 127 127 ASN HB2 H 2.709 0.030 2
1418 127 127 ASN HB3 H 2.511 0.030 2
1419 127 127 ASN HD21 H 6.727 0.030 2
1420 127 127 ASN HD22 H 7.573 0.030 2
1421 127 127 ASN C C 171.988 0.300 1
1422 127 127 ASN CA C 50.132 0.300 1
1423 127 127 ASN CB C 34.833 0.300 1
1424 127 127 ASN N N 127.307 0.300 1
1425 127 127 ASN ND2 N 112.605 0.300 1
1426 128 128 VAL H H 6.838 0.030 1
1427 128 128 VAL HA H 3.915 0.030 1
1428 128 128 VAL HB H 1.240 0.030 1
1429 128 128 VAL HG1 H 0.724 0.030 1
1430 128 128 VAL HG2 H 0.481 0.030 1
1431 128 128 VAL C C 173.597 0.300 1
1432 128 128 VAL CA C 58.422 0.300 1
1433 128 128 VAL CB C 32.219 0.300 1
1434 128 128 VAL CG1 C 18.834 0.300 2
1435 128 128 VAL CG2 C 18.828 0.300 2
1436 128 128 VAL N N 119.495 0.300 1
1437 129 129 GLY H H 9.066 0.030 1
1438 129 129 GLY HA2 H 3.860 0.030 2
1439 129 129 GLY HA3 H 3.573 0.030 2
1440 129 129 GLY C C 171.154 0.300 1
1441 129 129 GLY CA C 43.658 0.300 1
1442 129 129 GLY N N 116.424 0.300 1
1443 130 130 VAL H H 7.882 0.030 1
1444 130 130 VAL HA H 4.153 0.030 1
1445 130 130 VAL HB H 2.015 0.030 1
1446 130 130 VAL HG1 H 0.782 0.030 1
1447 130 130 VAL HG2 H 0.718 0.030 1
1448 130 130 VAL C C 173.774 0.300 1
1449 130 130 VAL CA C 58.885 0.300 1
1450 130 130 VAL CB C 30.990 0.300 1
1451 130 130 VAL CG1 C 19.229 0.300 2
1452 130 130 VAL CG2 C 17.245 0.300 2
1453 130 130 VAL N N 116.831 0.300 1
1454 131 131 SER H H 8.358 0.030 1
1455 131 131 SER HA H 4.398 0.030 1
1456 131 131 SER HB2 H 3.761 0.030 2
1457 131 131 SER C C 172.198 0.300 1
1458 131 131 SER CA C 56.037 0.300 1
1459 131 131 SER CB C 61.644 0.300 1
1460 131 131 SER N N 118.599 0.300 1
1461 132 132 GLY H H 8.219 0.030 1
1462 132 132 GLY HA2 H 4.092 0.030 2
1463 132 132 GLY HA3 H 3.971 0.030 2
1464 132 132 GLY C C 169.352 0.300 1
1465 132 132 GLY CA C 42.251 0.300 1
1466 132 132 GLY N N 110.399 0.300 1
1467 133 133 PRO HA H 4.391 0.030 1
1468 133 133 PRO HB2 H 2.211 0.030 2
1469 133 133 PRO HB3 H 1.893 0.030 2
1470 133 133 PRO HD2 H 3.525 0.030 1
1471 133 133 PRO HD3 H 3.525 0.030 1
1472 133 133 PRO HG2 H 1.930 0.030 1
1473 133 133 PRO HG3 H 1.930 0.030 1
1474 133 133 PRO C C 175.035 0.300 1
1475 133 133 PRO CA C 60.889 0.300 1
1476 133 133 PRO CB C 29.895 0.300 1
1477 133 133 PRO CD C 47.453 0.300 1
1478 133 133 PRO CG C 24.861 0.300 1
1479 134 134 SER H H 8.469 0.030 1
1480 134 134 SER C C 172.169 0.300 1
1481 134 134 SER CA C 56.002 0.300 1
1482 134 134 SER CB C 61.416 0.300 1
1483 134 134 SER N N 116.093 0.300 1
stop_
save_