data_10059
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of the Band 7 Domain of the mouse Flotillin 2 Protein
;
_BMRB_accession_number 10059
_BMRB_flat_file_name bmr10059.str
_Entry_type original
_Submission_date 2006-11-29
_Accession_date 2006-11-30
_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 Miyamoto K. . .
2 Koshiba S. . .
3 Inoue M. . .
4 Kigawa T. . .
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" 799
"13C chemical shifts" 607
"15N chemical shifts" 148
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-13 original author .
stop_
_Original_release_date 2008-08-13
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution Structure of the Band 7 Domain of the mouse Flotillin 2 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 Miyamoto K. . .
2 Koshiba S. . .
3 Inoue M. . .
4 Kigawa T. . .
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 'Flotillin 2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Flotillin 2' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Band 7 Domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 143
_Mol_residue_sequence
;
GSSGSSGQRISLEIMTLQPR
CEDVETAEGVALTVTGVAQV
KIMTEKELLAVACEQFLGKN
VQDIKNVVLQTLEGHLRSIL
GTLTVEQIYQDRDQFAKLVR
EVAAPDVGRMGIEILSFTIK
DVYDKVDYLSSLGKTQTSGP
SSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLN 9 ARG 10 ILE
11 SER 12 LEU 13 GLU 14 ILE 15 MET
16 THR 17 LEU 18 GLN 19 PRO 20 ARG
21 CYS 22 GLU 23 ASP 24 VAL 25 GLU
26 THR 27 ALA 28 GLU 29 GLY 30 VAL
31 ALA 32 LEU 33 THR 34 VAL 35 THR
36 GLY 37 VAL 38 ALA 39 GLN 40 VAL
41 LYS 42 ILE 43 MET 44 THR 45 GLU
46 LYS 47 GLU 48 LEU 49 LEU 50 ALA
51 VAL 52 ALA 53 CYS 54 GLU 55 GLN
56 PHE 57 LEU 58 GLY 59 LYS 60 ASN
61 VAL 62 GLN 63 ASP 64 ILE 65 LYS
66 ASN 67 VAL 68 VAL 69 LEU 70 GLN
71 THR 72 LEU 73 GLU 74 GLY 75 HIS
76 LEU 77 ARG 78 SER 79 ILE 80 LEU
81 GLY 82 THR 83 LEU 84 THR 85 VAL
86 GLU 87 GLN 88 ILE 89 TYR 90 GLN
91 ASP 92 ARG 93 ASP 94 GLN 95 PHE
96 ALA 97 LYS 98 LEU 99 VAL 100 ARG
101 GLU 102 VAL 103 ALA 104 ALA 105 PRO
106 ASP 107 VAL 108 GLY 109 ARG 110 MET
111 GLY 112 ILE 113 GLU 114 ILE 115 LEU
116 SER 117 PHE 118 THR 119 ILE 120 LYS
121 ASP 122 VAL 123 TYR 124 ASP 125 LYS
126 VAL 127 ASP 128 TYR 129 LEU 130 SER
131 SER 132 LEU 133 GLY 134 LYS 135 THR
136 GLN 137 THR 138 SER 139 GLY 140 PRO
141 SER 142 SER 143 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-23
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 1WIN "Solution Structure Of The Band 7 Domain Of The Mouse Flotillin 2 Protein" 100.00 143 100.00 100.00 1.06e-96
DBJ BAB23392 "unnamed protein product [Mus musculus]" 93.71 428 97.76 98.51 9.39e-85
DBJ BAC26837 "unnamed protein product [Mus musculus]" 93.71 428 97.76 98.51 1.05e-84
DBJ BAE28942 "unnamed protein product [Mus musculus]" 90.21 456 99.22 100.00 2.12e-82
DBJ BAE41879 "unnamed protein product [Mus musculus]" 93.71 428 97.76 98.51 9.59e-85
DBJ BAI46697 "flotillin 2 [synthetic construct]" 93.71 428 97.76 98.51 9.80e-85
EMBL CAG46583 "FLOT2 [Homo sapiens]" 86.71 379 99.19 100.00 7.08e-81
EMBL CAG47061 "FLOT2 [Homo sapiens]" 86.71 379 99.19 100.00 7.08e-81
GB AAA65729 "surface antigen [Homo sapiens]" 86.71 379 99.19 100.00 7.08e-81
GB AAA93127 "epidermal surface antigen [Mus musculus]" 86.71 379 99.19 100.00 5.77e-81
GB AAC98727 "reggie1-1 [Rattus norvegicus]" 93.71 428 97.76 98.51 9.59e-85
GB AAD00120 "R-Reggie-1.1 [Rattus norvegicus]" 67.13 351 98.96 100.00 9.47e-60
GB AAH03683 "FLOT2 protein [Homo sapiens]" 93.71 385 97.76 98.51 3.04e-85
REF NP_001030543 "flotillin-2 [Bos taurus]" 93.71 428 97.01 98.51 9.75e-84
REF NP_001035493 "flotillin-2 isoform 1 [Mus musculus]" 93.71 428 97.76 98.51 9.59e-85
REF NP_001257729 "flotillin-2 isoform 2 [Rattus norvegicus]" 93.71 428 97.76 98.51 9.59e-85
REF NP_001257730 "flotillin-2 isoform 3 [Rattus norvegicus]" 86.71 379 99.19 100.00 5.77e-81
REF NP_001271156 "flotillin-2 isoform 3 [Mus musculus]" 90.21 456 99.22 100.00 2.12e-82
SP A6QLR4 "RecName: Full=Flotillin-2" 93.71 428 97.01 98.51 9.75e-84
SP Q14254 "RecName: Full=Flotillin-2; AltName: Full=Epidermal surface antigen; Short=ESA; AltName: Full=Membrane component chromosome 17 s" 93.71 428 97.76 98.51 9.80e-85
SP Q60634 "RecName: Full=Flotillin-2; AltName: Full=Epidermal surface antigen; Short=ESA; AltName: Full=Membrane component chromosome 17 s" 93.71 428 97.76 98.51 9.59e-85
SP Q9Z2S9 "RecName: Full=Flotillin-2; AltName: Full=Reggie-1; Short=REG-1" 93.71 428 97.76 98.51 9.59e-85
TPG DAA18988 "TPA: flotillin 2 [Bos taurus]" 93.71 384 97.01 98.51 2.96e-84
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 P030818-03
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 1.02 mM '[U-13C; U-15N]'
PiNa 20 mM .
NaCl 100 mM .
d-DTT 1 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 2.0.17
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 'Flotillin 2'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 6 6 SER HA H 4.473 0.030 1
2 6 6 SER HB2 H 3.915 0.030 1
3 6 6 SER HB3 H 3.915 0.030 1
4 6 6 SER C C 175.190 0.300 1
5 6 6 SER CA C 58.879 0.300 1
6 6 6 SER CB C 63.924 0.300 1
7 7 7 GLY H H 8.450 0.030 1
8 7 7 GLY HA2 H 3.984 0.030 1
9 7 7 GLY HA3 H 3.984 0.030 1
10 7 7 GLY C C 174.102 0.300 1
11 7 7 GLY CA C 45.490 0.300 1
12 7 7 GLY N N 110.703 0.300 1
13 8 8 GLN H H 8.194 0.030 1
14 8 8 GLN HA H 4.361 0.030 1
15 8 8 GLN HB2 H 1.992 0.030 2
16 8 8 GLN HB3 H 2.111 0.030 2
17 8 8 GLN HG2 H 2.106 0.030 2
18 8 8 GLN HG3 H 2.362 0.030 2
19 8 8 GLN HE21 H 7.561 0.030 2
20 8 8 GLN HE22 H 6.883 0.030 2
21 8 8 GLN C C 175.927 0.300 1
22 8 8 GLN CA C 55.887 0.300 1
23 8 8 GLN CB C 29.579 0.300 1
24 8 8 GLN CG C 33.858 0.300 1
25 8 8 GLN N N 119.888 0.300 1
26 8 8 GLN NE2 N 112.369 0.300 1
27 9 9 ARG H H 8.436 0.030 1
28 9 9 ARG HA H 4.404 0.030 1
29 9 9 ARG HB2 H 1.790 0.030 2
30 9 9 ARG HB3 H 1.874 0.030 2
31 9 9 ARG HG2 H 1.641 0.030 1
32 9 9 ARG HG3 H 1.641 0.030 1
33 9 9 ARG HD2 H 3.216 0.030 1
34 9 9 ARG HD3 H 3.216 0.030 1
35 9 9 ARG C C 176.169 0.300 1
36 9 9 ARG CA C 56.129 0.300 1
37 9 9 ARG CB C 30.908 0.300 1
38 9 9 ARG CG C 27.119 0.300 1
39 9 9 ARG CD C 43.293 0.300 1
40 9 9 ARG N N 122.612 0.300 1
41 10 10 ILE H H 8.205 0.030 1
42 10 10 ILE HA H 4.205 0.030 1
43 10 10 ILE HB H 1.843 0.030 1
44 10 10 ILE HG12 H 1.202 0.030 2
45 10 10 ILE HG13 H 1.498 0.030 2
46 10 10 ILE HG2 H 0.898 0.030 1
47 10 10 ILE HD1 H 0.864 0.030 1
48 10 10 ILE C C 175.554 0.300 1
49 10 10 ILE CA C 61.036 0.300 1
50 10 10 ILE CB C 39.068 0.300 1
51 10 10 ILE CG1 C 27.545 0.300 1
52 10 10 ILE CG2 C 17.506 0.300 1
53 10 10 ILE CD1 C 13.392 0.300 1
54 10 10 ILE N N 122.084 0.300 1
55 11 11 SER H H 8.288 0.030 1
56 11 11 SER HA H 4.499 0.030 1
57 11 11 SER HB2 H 3.822 0.030 2
58 11 11 SER HB3 H 3.893 0.030 2
59 11 11 SER C C 174.447 0.300 1
60 11 11 SER CA C 58.018 0.300 1
61 11 11 SER CB C 63.940 0.300 1
62 11 11 SER N N 119.419 0.300 1
63 12 12 LEU H H 8.348 0.030 1
64 12 12 LEU HA H 4.493 0.030 1
65 12 12 LEU HB2 H 1.658 0.030 1
66 12 12 LEU HB3 H 1.658 0.030 1
67 12 12 LEU HG H 1.655 0.030 1
68 12 12 LEU HD1 H 0.920 0.030 1
69 12 12 LEU HD2 H 0.821 0.030 1
70 12 12 LEU C C 176.736 0.300 1
71 12 12 LEU CA C 54.912 0.300 1
72 12 12 LEU CB C 42.045 0.300 1
73 12 12 LEU CG C 27.051 0.300 1
74 12 12 LEU CD1 C 25.232 0.300 2
75 12 12 LEU CD2 C 23.348 0.300 2
76 12 12 LEU N N 124.792 0.300 1
77 13 13 GLU H H 8.119 0.030 1
78 13 13 GLU HA H 4.301 0.030 1
79 13 13 GLU HB2 H 1.943 0.030 2
80 13 13 GLU HB3 H 2.063 0.030 2
81 13 13 GLU HG2 H 2.229 0.030 2
82 13 13 GLU HG3 H 2.251 0.030 2
83 13 13 GLU C C 175.730 0.300 1
84 13 13 GLU CA C 56.315 0.300 1
85 13 13 GLU CB C 30.867 0.300 1
86 13 13 GLU CG C 36.285 0.300 1
87 13 13 GLU N N 120.258 0.300 1
88 14 14 ILE H H 8.200 0.030 1
89 14 14 ILE HA H 4.376 0.030 1
90 14 14 ILE HB H 1.718 0.030 1
91 14 14 ILE HG12 H 1.602 0.030 2
92 14 14 ILE HG13 H 0.941 0.030 2
93 14 14 ILE HG2 H 0.807 0.030 1
94 14 14 ILE HD1 H 0.806 0.030 1
95 14 14 ILE C C 176.463 0.300 1
96 14 14 ILE CA C 61.531 0.300 1
97 14 14 ILE CB C 38.901 0.300 1
98 14 14 ILE CG1 C 28.532 0.300 1
99 14 14 ILE CG2 C 17.808 0.300 1
100 14 14 ILE CD1 C 13.145 0.300 1
101 14 14 ILE N N 121.621 0.300 1
102 15 15 MET H H 9.159 0.030 1
103 15 15 MET HA H 4.682 0.030 1
104 15 15 MET HB2 H 1.750 0.030 2
105 15 15 MET HB3 H 1.943 0.030 2
106 15 15 MET HG2 H 2.421 0.030 2
107 15 15 MET HG3 H 2.463 0.030 2
108 15 15 MET HE H 1.962 0.030 1
109 15 15 MET C C 174.566 0.300 1
110 15 15 MET CA C 54.642 0.300 1
111 15 15 MET CB C 36.157 0.300 1
112 15 15 MET CG C 31.742 0.300 1
113 15 15 MET CE C 17.154 0.300 1
114 15 15 MET N N 127.197 0.300 1
115 16 16 THR H H 8.721 0.030 1
116 16 16 THR HA H 5.122 0.030 1
117 16 16 THR HB H 3.958 0.030 1
118 16 16 THR HG2 H 1.118 0.030 1
119 16 16 THR C C 173.791 0.300 1
120 16 16 THR CA C 62.387 0.300 1
121 16 16 THR CB C 69.576 0.300 1
122 16 16 THR CG2 C 21.785 0.300 1
123 16 16 THR N N 120.616 0.300 1
124 17 17 LEU H H 9.349 0.030 1
125 17 17 LEU HA H 4.857 0.030 1
126 17 17 LEU HB2 H 1.499 0.030 2
127 17 17 LEU HB3 H 1.570 0.030 2
128 17 17 LEU HG H 1.604 0.030 1
129 17 17 LEU HD1 H 0.812 0.030 1
130 17 17 LEU HD2 H 0.928 0.030 1
131 17 17 LEU C C 175.663 0.300 1
132 17 17 LEU CA C 52.990 0.300 1
133 17 17 LEU CB C 46.088 0.300 1
134 17 17 LEU CG C 27.515 0.300 1
135 17 17 LEU CD1 C 27.245 0.300 2
136 17 17 LEU CD2 C 24.549 0.300 2
137 17 17 LEU N N 126.663 0.300 1
138 18 18 GLN H H 8.913 0.030 1
139 18 18 GLN HA H 5.562 0.030 1
140 18 18 GLN HB2 H 1.960 0.030 2
141 18 18 GLN HB3 H 2.175 0.030 2
142 18 18 GLN HG2 H 2.263 0.030 2
143 18 18 GLN HG3 H 2.316 0.030 2
144 18 18 GLN HE21 H 6.841 0.030 2
145 18 18 GLN HE22 H 7.272 0.030 2
146 18 18 GLN C C 172.355 0.300 1
147 18 18 GLN CA C 53.017 0.300 1
148 18 18 GLN CB C 29.579 0.300 1
149 18 18 GLN CG C 34.398 0.300 1
150 18 18 GLN N N 120.042 0.300 1
151 18 18 GLN NE2 N 110.692 0.300 1
152 19 19 PRO HA H 4.737 0.030 1
153 19 19 PRO HB2 H 1.772 0.030 2
154 19 19 PRO HB3 H 2.072 0.030 2
155 19 19 PRO HG2 H 1.676 0.030 2
156 19 19 PRO HG3 H 1.876 0.030 2
157 19 19 PRO HD2 H 3.068 0.030 2
158 19 19 PRO HD3 H 3.696 0.030 2
159 19 19 PRO C C 174.287 0.300 1
160 19 19 PRO CA C 62.494 0.300 1
161 19 19 PRO CB C 32.845 0.300 1
162 19 19 PRO CG C 28.324 0.300 1
163 19 19 PRO CD C 49.680 0.300 1
164 20 20 ARG H H 9.531 0.030 1
165 20 20 ARG HA H 5.208 0.030 1
166 20 20 ARG HB2 H 1.794 0.030 1
167 20 20 ARG HB3 H 1.794 0.030 1
168 20 20 ARG HG2 H 1.391 0.030 2
169 20 20 ARG HG3 H 1.573 0.030 2
170 20 20 ARG HD2 H 3.191 0.030 1
171 20 20 ARG HD3 H 3.191 0.030 1
172 20 20 ARG HE H 7.461 0.030 1
173 20 20 ARG C C 174.871 0.300 1
174 20 20 ARG CA C 54.976 0.300 1
175 20 20 ARG CB C 34.051 0.300 1
176 20 20 ARG CG C 27.245 0.300 1
177 20 20 ARG CD C 43.673 0.300 1
178 20 20 ARG N N 123.150 0.300 1
179 20 20 ARG NE N 85.045 0.300 1
180 21 21 CYS H H 8.885 0.030 1
181 21 21 CYS HA H 4.693 0.030 1
182 21 21 CYS HB2 H 2.863 0.030 2
183 21 21 CYS HB3 H 2.552 0.030 2
184 21 21 CYS C C 172.426 0.300 1
185 21 21 CYS CA C 56.899 0.300 1
186 21 21 CYS CB C 31.020 0.300 1
187 21 21 CYS N N 120.337 0.300 1
188 22 22 GLU H H 8.801 0.030 1
189 22 22 GLU HA H 4.710 0.030 1
190 22 22 GLU HB2 H 1.849 0.030 2
191 22 22 GLU HB3 H 1.895 0.030 2
192 22 22 GLU HG2 H 2.096 0.030 2
193 22 22 GLU HG3 H 2.236 0.030 2
194 22 22 GLU C C 174.884 0.300 1
195 22 22 GLU CA C 55.157 0.300 1
196 22 22 GLU CB C 31.780 0.300 1
197 22 22 GLU CG C 36.143 0.300 1
198 22 22 GLU N N 122.939 0.300 1
199 23 23 ASP H H 7.914 0.030 1
200 23 23 ASP HA H 3.875 0.030 1
201 23 23 ASP HB2 H 2.685 0.030 2
202 23 23 ASP HB3 H 2.738 0.030 2
203 23 23 ASP C C 174.293 0.300 1
204 23 23 ASP CA C 55.556 0.300 1
205 23 23 ASP CB C 39.198 0.300 1
206 23 23 ASP N N 122.218 0.300 1
207 24 24 VAL H H 8.961 0.030 1
208 24 24 VAL HA H 4.171 0.030 1
209 24 24 VAL HB H 1.979 0.030 1
210 24 24 VAL HG1 H 0.888 0.030 1
211 24 24 VAL HG2 H 0.980 0.030 1
212 24 24 VAL C C 175.426 0.300 1
213 24 24 VAL CA C 61.530 0.300 1
214 24 24 VAL CB C 32.782 0.300 1
215 24 24 VAL CG1 C 22.662 0.300 2
216 24 24 VAL CG2 C 22.690 0.300 2
217 24 24 VAL N N 120.428 0.300 1
218 25 25 GLU H H 8.343 0.030 1
219 25 25 GLU HA H 4.438 0.030 1
220 25 25 GLU HB2 H 1.914 0.030 1
221 25 25 GLU HB3 H 1.914 0.030 1
222 25 25 GLU HG2 H 2.261 0.030 2
223 25 25 GLU HG3 H 2.069 0.030 2
224 25 25 GLU C C 177.506 0.300 1
225 25 25 GLU CA C 56.958 0.300 1
226 25 25 GLU CB C 30.853 0.300 1
227 25 25 GLU CG C 36.682 0.300 1
228 25 25 GLU N N 125.293 0.300 1
229 26 26 THR H H 8.190 0.030 1
230 26 26 THR HA H 4.658 0.030 1
231 26 26 THR HB H 5.196 0.030 1
232 26 26 THR HG2 H 1.177 0.030 1
233 26 26 THR C C 177.448 0.300 1
234 26 26 THR CA C 61.880 0.300 1
235 26 26 THR CB C 70.350 0.300 1
236 26 26 THR CG2 C 22.931 0.300 1
237 26 26 THR N N 112.422 0.300 1
238 27 27 ALA H H 8.938 0.030 1
239 27 27 ALA HA H 4.085 0.030 1
240 27 27 ALA HB H 1.140 0.030 1
241 27 27 ALA C C 179.128 0.300 1
242 27 27 ALA CA C 55.529 0.300 1
243 27 27 ALA CB C 18.369 0.300 1
244 27 27 ALA N N 122.692 0.300 1
245 28 28 GLU H H 9.078 0.030 1
246 28 28 GLU HA H 4.713 0.030 1
247 28 28 GLU HB2 H 1.958 0.030 2
248 28 28 GLU HB3 H 2.323 0.030 2
249 28 28 GLU HG2 H 2.114 0.030 2
250 28 28 GLU HG3 H 2.361 0.030 2
251 28 28 GLU C C 176.879 0.300 1
252 28 28 GLU CA C 55.506 0.300 1
253 28 28 GLU CB C 29.402 0.300 1
254 28 28 GLU CG C 36.761 0.300 1
255 28 28 GLU N N 114.341 0.300 1
256 29 29 GLY H H 8.076 0.030 1
257 29 29 GLY HA2 H 3.695 0.030 2
258 29 29 GLY HA3 H 4.221 0.030 2
259 29 29 GLY C C 173.946 0.300 1
260 29 29 GLY CA C 46.074 0.300 1
261 29 29 GLY N N 110.495 0.300 1
262 30 30 VAL H H 7.277 0.030 1
263 30 30 VAL HA H 3.965 0.030 1
264 30 30 VAL HB H 1.857 0.030 1
265 30 30 VAL HG1 H 0.795 0.030 1
266 30 30 VAL HG2 H 0.713 0.030 1
267 30 30 VAL C C 175.068 0.300 1
268 30 30 VAL CA C 62.065 0.300 1
269 30 30 VAL CB C 32.368 0.300 1
270 30 30 VAL CG1 C 21.044 0.300 2
271 30 30 VAL CG2 C 21.314 0.300 2
272 30 30 VAL N N 121.475 0.300 1
273 31 31 ALA H H 8.534 0.030 1
274 31 31 ALA HA H 4.542 0.030 1
275 31 31 ALA HB H 1.182 0.030 1
276 31 31 ALA C C 176.522 0.300 1
277 31 31 ALA CA C 51.336 0.300 1
278 31 31 ALA CB C 18.844 0.300 1
279 31 31 ALA N N 129.955 0.300 1
280 32 32 LEU H H 8.984 0.030 1
281 32 32 LEU HA H 5.007 0.030 1
282 32 32 LEU HB2 H 1.345 0.030 2
283 32 32 LEU HB3 H 1.492 0.030 2
284 32 32 LEU HG H 1.633 0.030 1
285 32 32 LEU HD1 H 0.801 0.030 1
286 32 32 LEU HD2 H 0.676 0.030 1
287 32 32 LEU C C 176.042 0.300 1
288 32 32 LEU CA C 53.619 0.300 1
289 32 32 LEU CB C 46.892 0.300 1
290 32 32 LEU CG C 26.706 0.300 1
291 32 32 LEU CD1 C 24.154 0.300 2
292 32 32 LEU CD2 C 26.580 0.300 2
293 32 32 LEU N N 125.424 0.300 1
294 33 33 THR H H 8.689 0.030 1
295 33 33 THR HA H 5.194 0.030 1
296 33 33 THR HB H 3.388 0.030 1
297 33 33 THR HG2 H 1.057 0.030 1
298 33 33 THR C C 173.446 0.300 1
299 33 33 THR CA C 61.932 0.300 1
300 33 33 THR CB C 71.194 0.300 1
301 33 33 THR CG2 C 20.797 0.300 1
302 33 33 THR N N 117.489 0.300 1
303 34 34 VAL H H 8.607 0.030 1
304 34 34 VAL HA H 5.089 0.030 1
305 34 34 VAL HB H 1.888 0.030 1
306 34 34 VAL HG1 H 1.050 0.030 1
307 34 34 VAL HG2 H 1.000 0.030 1
308 34 34 VAL C C 173.965 0.300 1
309 34 34 VAL CA C 60.140 0.300 1
310 34 34 VAL CB C 36.133 0.300 1
311 34 34 VAL CG1 C 22.392 0.300 2
312 34 34 VAL CG2 C 22.662 0.300 2
313 34 34 VAL N N 125.034 0.300 1
314 35 35 THR H H 8.841 0.030 1
315 35 35 THR HA H 5.187 0.030 1
316 35 35 THR HB H 4.233 0.030 1
317 35 35 THR HG2 H 1.217 0.030 1
318 35 35 THR C C 174.489 0.300 1
319 35 35 THR CA C 59.869 0.300 1
320 35 35 THR CB C 70.969 0.300 1
321 35 35 THR CG2 C 21.785 0.300 1
322 35 35 THR N N 118.435 0.300 1
323 36 36 GLY H H 9.049 0.030 1
324 36 36 GLY HA2 H 4.814 0.030 2
325 36 36 GLY HA3 H 3.500 0.030 2
326 36 36 GLY C C 170.659 0.300 1
327 36 36 GLY CA C 44.367 0.300 1
328 36 36 GLY N N 111.046 0.300 1
329 37 37 VAL H H 8.404 0.030 1
330 37 37 VAL HA H 4.835 0.030 1
331 37 37 VAL HB H 1.751 0.030 1
332 37 37 VAL HG1 H 0.795 0.030 1
333 37 37 VAL HG2 H 0.817 0.030 1
334 37 37 VAL C C 175.041 0.300 1
335 37 37 VAL CA C 61.443 0.300 1
336 37 37 VAL CB C 34.813 0.300 1
337 37 37 VAL CG1 C 21.044 0.300 2
338 37 37 VAL CG2 C 21.583 0.300 2
339 37 37 VAL N N 116.065 0.300 1
340 38 38 ALA H H 9.460 0.030 1
341 38 38 ALA HA H 5.445 0.030 1
342 38 38 ALA HB H 1.262 0.030 1
343 38 38 ALA C C 175.273 0.300 1
344 38 38 ALA CA C 49.589 0.300 1
345 38 38 ALA CB C 23.361 0.300 1
346 38 38 ALA N N 130.280 0.300 1
347 39 39 GLN H H 8.197 0.030 1
348 39 39 GLN HA H 5.449 0.030 1
349 39 39 GLN HB2 H 1.783 0.030 2
350 39 39 GLN HB3 H 2.052 0.030 2
351 39 39 GLN HG2 H 2.243 0.030 1
352 39 39 GLN HG3 H 2.243 0.030 1
353 39 39 GLN HE21 H 7.318 0.030 2
354 39 39 GLN HE22 H 6.735 0.030 2
355 39 39 GLN C C 175.922 0.300 1
356 39 39 GLN CA C 54.833 0.300 1
357 39 39 GLN CB C 30.950 0.300 1
358 39 39 GLN CG C 33.963 0.300 1
359 39 39 GLN N N 120.331 0.300 1
360 39 39 GLN NE2 N 111.416 0.300 1
361 40 40 VAL H H 9.228 0.030 1
362 40 40 VAL HA H 5.470 0.030 1
363 40 40 VAL HB H 2.206 0.030 1
364 40 40 VAL HG1 H 0.783 0.030 1
365 40 40 VAL HG2 H 0.778 0.030 1
366 40 40 VAL C C 172.741 0.300 1
367 40 40 VAL CA C 58.203 0.300 1
368 40 40 VAL CB C 34.851 0.300 1
369 40 40 VAL CG1 C 19.316 0.300 2
370 40 40 VAL CG2 C 21.291 0.300 2
371 40 40 VAL N N 116.927 0.300 1
372 41 41 LYS H H 8.822 0.030 1
373 41 41 LYS HA H 4.912 0.030 1
374 41 41 LYS HB2 H 1.724 0.030 1
375 41 41 LYS HB3 H 1.724 0.030 1
376 41 41 LYS HG2 H 1.370 0.030 2
377 41 41 LYS HG3 H 1.258 0.030 2
378 41 41 LYS HD2 H 1.638 0.030 1
379 41 41 LYS HD3 H 1.638 0.030 1
380 41 41 LYS HE2 H 2.992 0.030 1
381 41 41 LYS HE3 H 2.992 0.030 1
382 41 41 LYS C C 174.460 0.300 1
383 41 41 LYS CA C 54.812 0.300 1
384 41 41 LYS CB C 36.815 0.300 1
385 41 41 LYS CG C 23.345 0.300 1
386 41 41 LYS CD C 29.276 0.300 1
387 41 41 LYS CE C 41.946 0.300 1
388 41 41 LYS N N 119.110 0.300 1
389 42 42 ILE H H 8.985 0.030 1
390 42 42 ILE HA H 4.285 0.030 1
391 42 42 ILE HB H 1.773 0.030 1
392 42 42 ILE HG12 H 1.120 0.030 2
393 42 42 ILE HG13 H 1.583 0.030 2
394 42 42 ILE HG2 H 0.988 0.030 1
395 42 42 ILE HD1 H 0.838 0.030 1
396 42 42 ILE C C 175.935 0.300 1
397 42 42 ILE CA C 61.665 0.300 1
398 42 42 ILE CB C 38.300 0.300 1
399 42 42 ILE CG1 C 28.593 0.300 1
400 42 42 ILE CG2 C 17.753 0.300 1
401 42 42 ILE CD1 C 13.145 0.300 1
402 42 42 ILE N N 125.379 0.300 1
403 43 43 MET H H 8.532 0.030 1
404 43 43 MET HA H 4.372 0.030 1
405 43 43 MET HB2 H 1.802 0.030 2
406 43 43 MET HB3 H 2.147 0.030 2
407 43 43 MET HG2 H 2.547 0.030 2
408 43 43 MET HG3 H 2.420 0.030 2
409 43 43 MET HE H 2.021 0.030 1
410 43 43 MET C C 175.524 0.300 1
411 43 43 MET CA C 56.805 0.300 1
412 43 43 MET CB C 34.023 0.300 1
413 43 43 MET CG C 33.447 0.300 1
414 43 43 MET CE C 17.554 0.300 1
415 43 43 MET N N 126.804 0.300 1
416 44 44 THR H H 8.116 0.030 1
417 44 44 THR HA H 4.347 0.030 1
418 44 44 THR HB H 4.380 0.030 1
419 44 44 THR HG2 H 1.255 0.030 1
420 44 44 THR C C 175.086 0.300 1
421 44 44 THR CA C 61.778 0.300 1
422 44 44 THR CB C 70.318 0.300 1
423 44 44 THR CG2 C 22.114 0.300 1
424 44 44 THR N N 110.927 0.300 1
425 45 45 GLU H H 8.583 0.030 1
426 45 45 GLU HA H 4.152 0.030 1
427 45 45 GLU HB2 H 2.095 0.030 2
428 45 45 GLU HB3 H 2.061 0.030 2
429 45 45 GLU HG2 H 2.341 0.030 1
430 45 45 GLU HG3 H 2.341 0.030 1
431 45 45 GLU C C 177.650 0.300 1
432 45 45 GLU CA C 58.519 0.300 1
433 45 45 GLU CB C 29.750 0.300 1
434 45 45 GLU CG C 36.432 0.300 1
435 45 45 GLU N N 121.905 0.300 1
436 46 46 LYS H H 8.357 0.030 1
437 46 46 LYS HA H 4.083 0.030 1
438 46 46 LYS HB2 H 1.845 0.030 1
439 46 46 LYS HB3 H 1.845 0.030 1
440 46 46 LYS HG2 H 1.500 0.030 2
441 46 46 LYS HG3 H 1.422 0.030 2
442 46 46 LYS HD2 H 1.700 0.030 1
443 46 46 LYS HD3 H 1.700 0.030 1
444 46 46 LYS HE2 H 3.009 0.030 1
445 46 46 LYS HE3 H 3.009 0.030 1
446 46 46 LYS C C 178.169 0.300 1
447 46 46 LYS CA C 58.791 0.300 1
448 46 46 LYS CB C 32.297 0.300 1
449 46 46 LYS CG C 24.963 0.300 1
450 46 46 LYS CD C 29.133 0.300 1
451 46 46 LYS CE C 42.215 0.300 1
452 46 46 LYS N N 120.422 0.300 1
453 48 48 LEU HA H 4.208 0.030 1
454 48 48 LEU HB2 H 1.597 0.030 2
455 48 48 LEU HB3 H 1.724 0.030 2
456 48 48 LEU HG H 1.657 0.030 1
457 48 48 LEU HD1 H 0.916 0.030 1
458 48 48 LEU HD2 H 0.897 0.030 1
459 48 48 LEU C C 178.363 0.300 1
460 48 48 LEU CA C 56.634 0.300 1
461 48 48 LEU CB C 41.535 0.300 1
462 48 48 LEU CG C 27.119 0.300 1
463 48 48 LEU CD1 C 24.994 0.300 2
464 48 48 LEU CD2 C 23.924 0.300 2
465 49 49 LEU H H 7.979 0.030 1
466 49 49 LEU HA H 4.210 0.030 1
467 49 49 LEU HB2 H 1.611 0.030 2
468 49 49 LEU HB3 H 1.741 0.030 2
469 49 49 LEU HG H 1.666 0.030 1
470 49 49 LEU HD1 H 0.887 0.030 1
471 49 49 LEU HD2 H 0.915 0.030 1
472 49 49 LEU C C 178.440 0.300 1
473 49 49 LEU CA C 56.651 0.300 1
474 49 49 LEU CB C 41.976 0.300 1
475 49 49 LEU CG C 26.969 0.300 1
476 49 49 LEU CD1 C 24.007 0.300 2
477 49 49 LEU CD2 C 25.232 0.300 2
478 49 49 LEU N N 120.201 0.300 1
479 50 50 ALA H H 7.765 0.030 1
480 50 50 ALA HA H 4.259 0.030 1
481 50 50 ALA HB H 1.488 0.030 1
482 50 50 ALA C C 178.953 0.300 1
483 50 50 ALA CA C 53.933 0.300 1
484 50 50 ALA CB C 18.879 0.300 1
485 50 50 ALA N N 121.113 0.300 1
486 51 51 VAL H H 7.639 0.030 1
487 51 51 VAL HA H 4.094 0.030 1
488 51 51 VAL HB H 2.219 0.030 1
489 51 51 VAL HG1 H 1.022 0.030 1
490 51 51 VAL HG2 H 0.938 0.030 1
491 51 51 VAL C C 176.552 0.300 1
492 51 51 VAL CA C 63.220 0.300 1
493 51 51 VAL CB C 32.623 0.300 1
494 51 51 VAL CG1 C 21.044 0.300 2
495 51 51 VAL CG2 C 21.314 0.300 2
496 51 51 VAL N N 116.014 0.300 1
497 52 52 ALA H H 8.135 0.030 1
498 52 52 ALA HA H 4.336 0.030 1
499 52 52 ALA HB H 1.509 0.030 1
500 52 52 ALA C C 178.203 0.300 1
501 52 52 ALA CA C 53.394 0.300 1
502 52 52 ALA CB C 18.887 0.300 1
503 52 52 ALA N N 124.533 0.300 1
504 53 53 CYS H H 8.258 0.030 1
505 53 53 CYS HA H 4.469 0.030 1
506 53 53 CYS HB2 H 2.941 0.030 2
507 53 53 CYS HB3 H 3.027 0.030 2
508 53 53 CYS C C 175.677 0.300 1
509 53 53 CYS CA C 59.905 0.300 1
510 53 53 CYS CB C 27.922 0.300 1
511 53 53 CYS N N 116.748 0.300 1
512 54 54 GLU H H 8.469 0.030 1
513 54 54 GLU HA H 4.119 0.030 1
514 54 54 GLU HB2 H 2.060 0.030 1
515 54 54 GLU HB3 H 2.060 0.030 1
516 54 54 GLU HG2 H 2.295 0.030 1
517 54 54 GLU HG3 H 2.295 0.030 1
518 54 54 GLU C C 177.640 0.300 1
519 54 54 GLU CA C 58.521 0.300 1
520 54 54 GLU CB C 29.619 0.300 1
521 54 54 GLU CG C 36.412 0.300 1
522 54 54 GLU N N 122.489 0.300 1
523 55 55 GLN H H 8.267 0.030 1
524 55 55 GLN HA H 4.111 0.030 1
525 55 55 GLN HB2 H 1.827 0.030 1
526 55 55 GLN HB3 H 1.827 0.030 1
527 55 55 GLN HG2 H 2.109 0.030 1
528 55 55 GLN HG3 H 2.109 0.030 1
529 55 55 GLN HE21 H 7.364 0.030 2
530 55 55 GLN HE22 H 6.816 0.030 2
531 55 55 GLN C C 176.621 0.300 1
532 55 55 GLN CA C 57.497 0.300 1
533 55 55 GLN CB C 28.634 0.300 1
534 55 55 GLN CG C 33.717 0.300 1
535 55 55 GLN N N 118.139 0.300 1
536 55 55 GLN NE2 N 111.864 0.300 1
537 56 56 PHE H H 8.054 0.030 1
538 56 56 PHE HA H 4.675 0.030 1
539 56 56 PHE HB2 H 3.296 0.030 2
540 56 56 PHE HB3 H 3.014 0.030 2
541 56 56 PHE HD1 H 7.238 0.030 1
542 56 56 PHE HD2 H 7.238 0.030 1
543 56 56 PHE HE1 H 7.331 0.030 1
544 56 56 PHE HE2 H 7.331 0.030 1
545 56 56 PHE HZ H 7.275 0.030 1
546 56 56 PHE C C 175.852 0.300 1
547 56 56 PHE CA C 57.580 0.300 1
548 56 56 PHE CB C 39.331 0.300 1
549 56 56 PHE CD1 C 131.590 0.300 1
550 56 56 PHE CD2 C 131.590 0.300 1
551 56 56 PHE CE1 C 131.578 0.300 1
552 56 56 PHE CE2 C 131.578 0.300 1
553 56 56 PHE CZ C 129.907 0.300 1
554 56 56 PHE N N 117.556 0.300 1
555 57 57 LEU H H 7.772 0.030 1
556 57 57 LEU HA H 4.240 0.030 1
557 57 57 LEU HB2 H 1.612 0.030 2
558 57 57 LEU HB3 H 1.738 0.030 2
559 57 57 LEU HG H 1.669 0.030 1
560 57 57 LEU HD1 H 0.951 0.030 1
561 57 57 LEU HD2 H 0.896 0.030 1
562 57 57 LEU C C 178.012 0.300 1
563 57 57 LEU CA C 56.341 0.300 1
564 57 57 LEU CB C 41.968 0.300 1
565 57 57 LEU CG C 26.976 0.300 1
566 57 57 LEU CD1 C 25.088 0.300 2
567 57 57 LEU CD2 C 24.010 0.300 2
568 57 57 LEU N N 121.959 0.300 1
569 58 58 GLY H H 8.471 0.030 1
570 58 58 GLY HA2 H 3.875 0.030 2
571 58 58 GLY HA3 H 4.015 0.030 2
572 58 58 GLY C C 174.273 0.300 1
573 58 58 GLY CA C 45.647 0.300 1
574 58 58 GLY N N 110.399 0.300 1
575 59 59 LYS H H 7.900 0.030 1
576 59 59 LYS HA H 4.491 0.030 1
577 59 59 LYS HB2 H 1.868 0.030 2
578 59 59 LYS HB3 H 1.957 0.030 2
579 59 59 LYS HG2 H 1.519 0.030 2
580 59 59 LYS HG3 H 1.410 0.030 2
581 59 59 LYS HD2 H 1.655 0.030 1
582 59 59 LYS HD3 H 1.655 0.030 1
583 59 59 LYS HE2 H 3.025 0.030 1
584 59 59 LYS HE3 H 3.025 0.030 1
585 59 59 LYS C C 176.029 0.300 1
586 59 59 LYS CA C 55.636 0.300 1
587 59 59 LYS CB C 33.529 0.300 1
588 59 59 LYS CG C 25.358 0.300 1
589 59 59 LYS CD C 28.779 0.300 1
590 59 59 LYS CE C 42.439 0.300 1
591 59 59 LYS N N 119.454 0.300 1
592 60 60 ASN H H 8.717 0.030 1
593 60 60 ASN HA H 4.781 0.030 1
594 60 60 ASN HB2 H 2.927 0.030 2
595 60 60 ASN HB3 H 2.983 0.030 2
596 60 60 ASN HD21 H 6.928 0.030 2
597 60 60 ASN HD22 H 7.635 0.030 2
598 60 60 ASN C C 176.114 0.300 1
599 60 60 ASN CA C 52.568 0.300 1
600 60 60 ASN CB C 39.372 0.300 1
601 60 60 ASN N N 118.988 0.300 1
602 60 60 ASN ND2 N 113.142 0.300 1
603 61 61 VAL H H 8.450 0.030 1
604 61 61 VAL HA H 3.746 0.030 1
605 61 61 VAL HB H 2.104 0.030 1
606 61 61 VAL HG1 H 1.038 0.030 1
607 61 61 VAL HG2 H 0.970 0.030 1
608 61 61 VAL C C 176.799 0.300 1
609 61 61 VAL CA C 65.759 0.300 1
610 61 61 VAL CB C 31.776 0.300 1
611 61 61 VAL CG1 C 22.267 0.300 2
612 61 61 VAL CG2 C 21.044 0.300 2
613 61 61 VAL N N 120.670 0.300 1
614 62 62 GLN H H 8.369 0.030 1
615 62 62 GLN HA H 4.017 0.030 1
616 62 62 GLN HB2 H 2.103 0.030 1
617 62 62 GLN HB3 H 2.103 0.030 1
618 62 62 GLN HG2 H 2.433 0.030 1
619 62 62 GLN HG3 H 2.433 0.030 1
620 62 62 GLN HE21 H 7.554 0.030 2
621 62 62 GLN HE22 H 6.968 0.030 2
622 62 62 GLN C C 177.677 0.300 1
623 62 62 GLN CA C 58.487 0.300 1
624 62 62 GLN CB C 28.285 0.300 1
625 62 62 GLN CG C 33.986 0.300 1
626 62 62 GLN N N 120.271 0.300 1
627 62 62 GLN NE2 N 113.332 0.300 1
628 63 63 ASP H H 7.945 0.030 1
629 63 63 ASP HA H 4.563 0.030 1
630 63 63 ASP HB2 H 2.798 0.030 2
631 63 63 ASP HB3 H 2.894 0.030 2
632 63 63 ASP C C 178.520 0.300 1
633 63 63 ASP CA C 56.621 0.300 1
634 63 63 ASP CB C 41.014 0.300 1
635 63 63 ASP N N 119.243 0.300 1
636 64 64 ILE H H 7.836 0.030 1
637 64 64 ILE HA H 3.648 0.030 1
638 64 64 ILE HB H 1.868 0.030 1
639 64 64 ILE HG12 H 0.741 0.030 2
640 64 64 ILE HG13 H 1.503 0.030 2
641 64 64 ILE HG2 H 0.621 0.030 1
642 64 64 ILE HD1 H 0.740 0.030 1
643 64 64 ILE C C 177.316 0.300 1
644 64 64 ILE CA C 64.348 0.300 1
645 64 64 ILE CB C 37.981 0.300 1
646 64 64 ILE CG1 C 28.324 0.300 1
647 64 64 ILE CG2 C 16.932 0.300 1
648 64 64 ILE CD1 C 13.392 0.300 1
649 64 64 ILE N N 120.536 0.300 1
650 65 65 LYS H H 8.337 0.030 1
651 65 65 LYS HA H 3.622 0.030 1
652 65 65 LYS HB2 H 1.835 0.030 2
653 65 65 LYS HB3 H 1.917 0.030 2
654 65 65 LYS HG2 H 1.250 0.030 2
655 65 65 LYS HG3 H 1.687 0.030 2
656 65 65 LYS HD2 H 1.695 0.030 1
657 65 65 LYS HD3 H 1.695 0.030 1
658 65 65 LYS HE2 H 2.889 0.030 2
659 65 65 LYS HE3 H 2.940 0.030 2
660 65 65 LYS C C 177.937 0.300 1
661 65 65 LYS CA C 61.050 0.300 1
662 65 65 LYS CB C 32.368 0.300 1
663 65 65 LYS CG C 26.228 0.300 1
664 65 65 LYS CD C 29.931 0.300 1
665 65 65 LYS CE C 42.192 0.300 1
666 65 65 LYS N N 119.413 0.300 1
667 66 66 ASN H H 7.962 0.030 1
668 66 66 ASN HA H 4.526 0.030 1
669 66 66 ASN HB2 H 2.871 0.030 2
670 66 66 ASN HB3 H 2.992 0.030 2
671 66 66 ASN HD21 H 7.858 0.030 2
672 66 66 ASN HD22 H 6.968 0.030 2
673 66 66 ASN C C 177.989 0.300 1
674 66 66 ASN CA C 56.320 0.300 1
675 66 66 ASN CB C 38.213 0.300 1
676 66 66 ASN N N 115.717 0.300 1
677 66 66 ASN ND2 N 112.612 0.300 1
678 67 67 VAL H H 7.903 0.030 1
679 67 67 VAL HA H 3.903 0.030 1
680 67 67 VAL HB H 2.268 0.030 1
681 67 67 VAL HG1 H 1.169 0.030 1
682 67 67 VAL HG2 H 1.048 0.030 1
683 67 67 VAL C C 179.652 0.300 1
684 67 67 VAL CA C 66.222 0.300 1
685 67 67 VAL CB C 31.812 0.300 1
686 67 67 VAL CG1 C 22.537 0.300 2
687 67 67 VAL CG2 C 21.583 0.300 2
688 67 67 VAL N N 120.529 0.300 1
689 68 68 VAL H H 8.518 0.030 1
690 68 68 VAL HA H 3.406 0.030 1
691 68 68 VAL HB H 2.105 0.030 1
692 68 68 VAL HG1 H 0.825 0.030 1
693 68 68 VAL HG2 H 1.051 0.030 1
694 68 68 VAL C C 177.734 0.300 1
695 68 68 VAL CA C 67.504 0.300 1
696 68 68 VAL CB C 30.964 0.300 1
697 68 68 VAL CG1 C 22.392 0.300 2
698 68 68 VAL CG2 C 24.154 0.300 2
699 68 68 VAL N N 122.878 0.300 1
700 69 69 LEU H H 8.752 0.030 1
701 69 69 LEU HA H 3.823 0.030 1
702 69 69 LEU HB2 H 1.795 0.030 2
703 69 69 LEU HB3 H 2.001 0.030 2
704 69 69 LEU HG H 1.609 0.030 1
705 69 69 LEU HD1 H 0.916 0.030 1
706 69 69 LEU HD2 H 0.986 0.030 1
707 69 69 LEU C C 178.197 0.300 1
708 69 69 LEU CA C 59.244 0.300 1
709 69 69 LEU CB C 42.371 0.300 1
710 69 69 LEU CG C 26.976 0.300 1
711 69 69 LEU CD1 C 24.279 0.300 2
712 69 69 LEU CD2 C 25.628 0.300 2
713 69 69 LEU N N 121.235 0.300 1
714 70 70 GLN H H 8.062 0.030 1
715 70 70 GLN HA H 4.127 0.030 1
716 70 70 GLN HB2 H 2.189 0.030 2
717 70 70 GLN HB3 H 2.248 0.030 2
718 70 70 GLN HG2 H 2.474 0.030 2
719 70 70 GLN HG3 H 2.609 0.030 2
720 70 70 GLN HE21 H 7.455 0.030 2
721 70 70 GLN HE22 H 6.838 0.030 2
722 70 70 GLN CA C 59.390 0.300 1
723 70 70 GLN CB C 28.593 0.300 1
724 70 70 GLN CG C 34.210 0.300 1
725 70 70 GLN N N 116.719 0.300 1
726 70 70 GLN NE2 N 111.499 0.300 1
727 71 71 THR H H 8.104 0.030 1
728 71 71 THR HA H 3.998 0.030 1
729 71 71 THR HB H 4.314 0.030 1
730 71 71 THR HG2 H 1.300 0.030 1
731 71 71 THR C C 177.137 0.300 1
732 71 71 THR CA C 66.931 0.300 1
733 71 71 THR CB C 68.428 0.300 1
734 71 71 THR CG2 C 22.032 0.300 1
735 71 71 THR N N 117.994 0.300 1
736 72 72 LEU H H 8.613 0.030 1
737 72 72 LEU HA H 3.870 0.030 1
738 72 72 LEU HB2 H 1.138 0.030 2
739 72 72 LEU HB3 H 2.002 0.030 2
740 72 72 LEU HG H 1.779 0.030 1
741 72 72 LEU HD1 H 0.592 0.030 1
742 72 72 LEU HD2 H 0.504 0.030 1
743 72 72 LEU C C 178.395 0.300 1
744 72 72 LEU CA C 58.752 0.300 1
745 72 72 LEU CB C 42.220 0.300 1
746 72 72 LEU CG C 26.580 0.300 1
747 72 72 LEU CD1 C 26.041 0.300 2
748 72 72 LEU CD2 C 22.537 0.300 2
749 72 72 LEU N N 121.462 0.300 1
750 73 73 GLU H H 8.831 0.030 1
751 73 73 GLU HA H 3.723 0.030 1
752 73 73 GLU HB2 H 1.963 0.030 2
753 73 73 GLU HB3 H 2.209 0.030 2
754 73 73 GLU HG2 H 2.222 0.030 2
755 73 73 GLU HG3 H 2.609 0.030 2
756 73 73 GLU C C 178.628 0.300 1
757 73 73 GLU CA C 60.474 0.300 1
758 73 73 GLU CB C 29.032 0.300 1
759 73 73 GLU CG C 38.980 0.300 1
760 73 73 GLU N N 118.093 0.300 1
761 74 74 GLY H H 8.053 0.030 1
762 74 74 GLY HA2 H 3.892 0.030 2
763 74 74 GLY HA3 H 3.797 0.030 2
764 74 74 GLY C C 177.056 0.300 1
765 74 74 GLY CA C 47.309 0.300 1
766 74 74 GLY N N 106.247 0.300 1
767 75 75 HIS H H 7.398 0.030 1
768 75 75 HIS HA H 4.592 0.030 1
769 75 75 HIS HB2 H 2.850 0.030 2
770 75 75 HIS HB3 H 2.922 0.030 2
771 75 75 HIS HD2 H 6.760 0.030 1
772 75 75 HIS HE1 H 7.802 0.030 1
773 75 75 HIS C C 177.127 0.300 1
774 75 75 HIS CA C 59.909 0.300 1
775 75 75 HIS CB C 31.252 0.300 1
776 75 75 HIS CD2 C 117.291 0.300 1
777 75 75 HIS CE1 C 140.062 0.300 1
778 75 75 HIS N N 120.683 0.300 1
779 76 76 LEU H H 8.503 0.030 1
780 76 76 LEU HA H 3.997 0.030 1
781 76 76 LEU HB2 H 1.480 0.030 2
782 76 76 LEU HB3 H 2.136 0.030 2
783 76 76 LEU HG H 1.679 0.030 1
784 76 76 LEU HD1 H 0.879 0.030 1
785 76 76 LEU HD2 H 0.844 0.030 1
786 76 76 LEU C C 177.539 0.300 1
787 76 76 LEU CA C 58.966 0.300 1
788 76 76 LEU CB C 42.488 0.300 1
789 76 76 LEU CG C 27.515 0.300 1
790 76 76 LEU CD1 C 25.088 0.300 2
791 76 76 LEU CD2 C 25.628 0.300 2
792 76 76 LEU N N 121.746 0.300 1
793 77 77 ARG H H 8.248 0.030 1
794 77 77 ARG HA H 3.930 0.030 1
795 77 77 ARG HB2 H 1.956 0.030 2
796 77 77 ARG HB3 H 2.138 0.030 2
797 77 77 ARG HG2 H 1.594 0.030 2
798 77 77 ARG HG3 H 1.857 0.030 2
799 77 77 ARG HD2 H 3.395 0.030 2
800 77 77 ARG HD3 H 3.258 0.030 2
801 77 77 ARG HE H 7.550 0.030 1
802 77 77 ARG CA C 60.140 0.300 1
803 77 77 ARG CB C 30.750 0.300 1
804 77 77 ARG CG C 28.467 0.300 1
805 77 77 ARG CD C 43.423 0.300 1
806 77 77 ARG N N 117.126 0.300 1
807 77 77 ARG NE N 83.940 0.300 1
808 78 78 SER H H 7.941 0.030 1
809 78 78 SER HA H 4.188 0.030 1
810 78 78 SER HB2 H 4.048 0.030 2
811 78 78 SER HB3 H 4.100 0.030 2
812 78 78 SER C C 177.489 0.300 1
813 78 78 SER CA C 61.488 0.300 1
814 78 78 SER CB C 62.987 0.300 1
815 78 78 SER N N 114.860 0.300 1
816 79 79 ILE H H 8.439 0.030 1
817 79 79 ILE HA H 3.934 0.030 1
818 79 79 ILE HB H 2.162 0.030 1
819 79 79 ILE HG12 H 1.365 0.030 2
820 79 79 ILE HG13 H 1.799 0.030 2
821 79 79 ILE HG2 H 0.998 0.030 1
822 79 79 ILE HD1 H 0.797 0.030 1
823 79 79 ILE C C 180.038 0.300 1
824 79 79 ILE CA C 62.242 0.300 1
825 79 79 ILE CB C 36.235 0.300 1
826 79 79 ILE CG1 C 28.054 0.300 1
827 79 79 ILE CG2 C 18.348 0.300 1
828 79 79 ILE CD1 C 10.182 0.300 1
829 79 79 ILE N N 120.385 0.300 1
830 80 80 LEU H H 8.422 0.030 1
831 80 80 LEU HA H 3.648 0.030 1
832 80 80 LEU HB2 H 1.985 0.030 2
833 80 80 LEU HB3 H 1.603 0.030 2
834 80 80 LEU HG H 1.661 0.030 1
835 80 80 LEU HD1 H 0.785 0.030 1
836 80 80 LEU HD2 H 0.678 0.030 1
837 80 80 LEU C C 177.543 0.300 1
838 80 80 LEU CA C 59.838 0.300 1
839 80 80 LEU CB C 42.294 0.300 1
840 80 80 LEU CG C 28.054 0.300 1
841 80 80 LEU CD1 C 26.850 0.300 2
842 80 80 LEU CD2 C 25.502 0.300 2
843 80 80 LEU N N 123.999 0.300 1
844 81 81 GLY H H 7.158 0.030 1
845 81 81 GLY HA2 H 4.442 0.030 2
846 81 81 GLY HA3 H 3.818 0.030 2
847 81 81 GLY C C 174.701 0.300 1
848 81 81 GLY CA C 46.297 0.300 1
849 81 81 GLY N N 98.542 0.300 1
850 82 82 THR H H 7.883 0.030 1
851 82 82 THR HA H 4.547 0.030 1
852 82 82 THR HB H 4.441 0.030 1
853 82 82 THR HG2 H 1.346 0.030 1
854 82 82 THR C C 174.379 0.300 1
855 82 82 THR CA C 61.605 0.300 1
856 82 82 THR CB C 70.699 0.300 1
857 82 82 THR CG2 C 21.620 0.300 1
858 82 82 THR N N 108.366 0.300 1
859 83 83 LEU H H 7.521 0.030 1
860 83 83 LEU HA H 4.846 0.030 1
861 83 83 LEU HB2 H 1.357 0.030 2
862 83 83 LEU HB3 H 1.590 0.030 2
863 83 83 LEU HG H 1.715 0.030 1
864 83 83 LEU HD1 H 0.345 0.030 1
865 83 83 LEU HD2 H 0.650 0.030 1
866 83 83 LEU C C 175.872 0.300 1
867 83 83 LEU CA C 53.438 0.300 1
868 83 83 LEU CB C 45.259 0.300 1
869 83 83 LEU CG C 25.897 0.300 1
870 83 83 LEU CD1 C 26.580 0.300 2
871 83 83 LEU CD2 C 22.537 0.300 2
872 83 83 LEU N N 124.407 0.300 1
873 84 84 THR H H 8.374 0.030 1
874 84 84 THR HA H 5.119 0.030 1
875 84 84 THR HB H 4.792 0.030 1
876 84 84 THR HG2 H 1.226 0.030 1
877 84 84 THR C C 176.155 0.300 1
878 84 84 THR CA C 59.600 0.300 1
879 84 84 THR CB C 71.076 0.300 1
880 84 84 THR CG2 C 22.032 0.300 1
881 84 84 THR N N 109.963 0.300 1
882 85 85 VAL H H 9.629 0.030 1
883 85 85 VAL HA H 3.480 0.030 1
884 85 85 VAL HB H 1.991 0.030 1
885 85 85 VAL HG1 H 0.979 0.030 1
886 85 85 VAL HG2 H 0.841 0.030 1
887 85 85 VAL C C 177.595 0.300 1
888 85 85 VAL CA C 67.419 0.300 1
889 85 85 VAL CB C 31.597 0.300 1
890 85 85 VAL CG1 C 23.740 0.300 2
891 85 85 VAL CG2 C 21.785 0.300 2
892 85 85 VAL N N 121.253 0.300 1
893 86 86 GLU H H 8.434 0.030 1
894 86 86 GLU HA H 4.039 0.030 1
895 86 86 GLU HB2 H 1.948 0.030 2
896 86 86 GLU HB3 H 2.051 0.030 2
897 86 86 GLU HG2 H 2.258 0.030 2
898 86 86 GLU HG3 H 2.291 0.030 2
899 86 86 GLU C C 178.807 0.300 1
900 86 86 GLU CA C 60.140 0.300 1
901 86 86 GLU CB C 29.604 0.300 1
902 86 86 GLU CG C 36.432 0.300 1
903 86 86 GLU N N 117.536 0.300 1
904 87 87 GLN H H 7.603 0.030 1
905 87 87 GLN HA H 4.035 0.030 1
906 87 87 GLN HB2 H 2.390 0.030 2
907 87 87 GLN HB3 H 1.956 0.030 2
908 87 87 GLN HG2 H 2.464 0.030 1
909 87 87 GLN HG3 H 2.464 0.030 1
910 87 87 GLN HE21 H 6.779 0.030 2
911 87 87 GLN HE22 H 7.593 0.030 2
912 87 87 GLN C C 178.966 0.300 1
913 87 87 GLN CA C 59.062 0.300 1
914 87 87 GLN CB C 29.942 0.300 1
915 87 87 GLN CG C 35.280 0.300 1
916 87 87 GLN N N 117.420 0.300 1
917 87 87 GLN NE2 N 111.221 0.300 1
918 88 88 ILE H H 7.863 0.030 1
919 88 88 ILE HA H 3.373 0.030 1
920 88 88 ILE HB H 1.656 0.030 1
921 88 88 ILE HG12 H 0.247 0.030 2
922 88 88 ILE HG13 H 1.449 0.030 2
923 88 88 ILE HG2 H 0.545 0.030 1
924 88 88 ILE HD1 H 0.450 0.030 1
925 88 88 ILE C C 176.096 0.300 1
926 88 88 ILE CA C 65.244 0.300 1
927 88 88 ILE CB C 38.300 0.300 1
928 88 88 ILE CG1 C 29.815 0.300 1
929 88 88 ILE CG2 C 17.262 0.300 1
930 88 88 ILE CD1 C 15.037 0.300 1
931 88 88 ILE N N 120.540 0.300 1
932 89 89 TYR H H 8.174 0.030 1
933 89 89 TYR HA H 4.229 0.030 1
934 89 89 TYR HB2 H 3.042 0.030 2
935 89 89 TYR HB3 H 2.965 0.030 2
936 89 89 TYR HD1 H 7.182 0.030 1
937 89 89 TYR HD2 H 7.182 0.030 1
938 89 89 TYR HE1 H 6.714 0.030 1
939 89 89 TYR HE2 H 6.714 0.030 1
940 89 89 TYR C C 179.551 0.300 1
941 89 89 TYR CA C 61.218 0.300 1
942 89 89 TYR CB C 38.475 0.300 1
943 89 89 TYR CD1 C 132.478 0.300 1
944 89 89 TYR CD2 C 132.478 0.300 1
945 89 89 TYR CE1 C 118.265 0.300 1
946 89 89 TYR CE2 C 118.265 0.300 1
947 89 89 TYR N N 113.783 0.300 1
948 90 90 GLN H H 8.350 0.030 1
949 90 90 GLN HA H 4.335 0.030 1
950 90 90 GLN HB2 H 2.173 0.030 2
951 90 90 GLN HB3 H 2.238 0.030 2
952 90 90 GLN HG2 H 2.528 0.030 2
953 90 90 GLN HG3 H 2.584 0.030 2
954 90 90 GLN HE21 H 7.597 0.030 2
955 90 90 GLN HE22 H 6.836 0.030 2
956 90 90 GLN C C 176.735 0.300 1
957 90 90 GLN CA C 57.625 0.300 1
958 90 90 GLN CB C 29.113 0.300 1
959 90 90 GLN CG C 34.128 0.300 1
960 90 90 GLN N N 116.350 0.300 1
961 90 90 GLN NE2 N 111.385 0.300 1
962 91 91 ASP H H 7.700 0.030 1
963 91 91 ASP HA H 5.082 0.030 1
964 91 91 ASP HB2 H 3.066 0.030 2
965 91 91 ASP HB3 H 2.582 0.030 2
966 91 91 ASP C C 176.100 0.300 1
967 91 91 ASP CA C 53.114 0.300 1
968 91 91 ASP CB C 40.660 0.300 1
969 91 91 ASP N N 119.157 0.300 1
970 92 92 ARG H H 8.638 0.030 1
971 92 92 ARG HA H 4.248 0.030 1
972 92 92 ARG HB2 H 1.947 0.030 2
973 92 92 ARG HB3 H 2.021 0.030 2
974 92 92 ARG HG2 H 1.873 0.030 2
975 92 92 ARG HG3 H 1.807 0.030 2
976 92 92 ARG HD2 H 3.121 0.030 2
977 92 92 ARG HD3 H 3.234 0.030 2
978 92 92 ARG HE H 7.364 0.030 1
979 92 92 ARG C C 178.747 0.300 1
980 92 92 ARG CA C 59.688 0.300 1
981 92 92 ARG CB C 30.269 0.300 1
982 92 92 ARG CG C 27.298 0.300 1
983 92 92 ARG CD C 43.962 0.300 1
984 92 92 ARG N N 124.659 0.300 1
985 92 92 ARG NE N 84.871 0.300 1
986 93 93 ASP H H 8.616 0.030 1
987 93 93 ASP HA H 4.562 0.030 1
988 93 93 ASP HB2 H 2.834 0.030 2
989 93 93 ASP HB3 H 2.725 0.030 2
990 93 93 ASP C C 178.823 0.300 1
991 93 93 ASP CA C 57.496 0.300 1
992 93 93 ASP CB C 40.283 0.300 1
993 93 93 ASP N N 120.151 0.300 1
994 94 94 GLN H H 8.043 0.030 1
995 94 94 GLN HA H 4.197 0.030 1
996 94 94 GLN HB2 H 1.988 0.030 2
997 94 94 GLN HB3 H 2.179 0.030 2
998 94 94 GLN HG2 H 2.469 0.030 2
999 94 94 GLN HG3 H 2.330 0.030 2
1000 94 94 GLN HE21 H 7.405 0.030 2
1001 94 94 GLN HE22 H 6.884 0.030 2
1002 94 94 GLN C C 177.847 0.300 1
1003 94 94 GLN CA C 58.286 0.300 1
1004 94 94 GLN CB C 28.090 0.300 1
1005 94 94 GLN CG C 33.305 0.300 1
1006 94 94 GLN N N 122.186 0.300 1
1007 94 94 GLN NE2 N 110.802 0.300 1
1008 95 95 PHE H H 7.558 0.030 1
1009 95 95 PHE HA H 4.528 0.030 1
1010 95 95 PHE HB2 H 3.361 0.030 2
1011 95 95 PHE HB3 H 3.419 0.030 2
1012 95 95 PHE HD1 H 7.195 0.030 1
1013 95 95 PHE HD2 H 7.195 0.030 1
1014 95 95 PHE HE1 H 7.054 0.030 1
1015 95 95 PHE HE2 H 7.054 0.030 1
1016 95 95 PHE HZ H 7.001 0.030 1
1017 95 95 PHE C C 176.440 0.300 1
1018 95 95 PHE CA C 58.767 0.300 1
1019 95 95 PHE CB C 37.943 0.300 1
1020 95 95 PHE CD1 C 131.590 0.300 1
1021 95 95 PHE CD2 C 131.590 0.300 1
1022 95 95 PHE CE1 C 130.251 0.300 1
1023 95 95 PHE CE2 C 130.251 0.300 1
1024 95 95 PHE CZ C 128.889 0.300 1
1025 95 95 PHE N N 119.486 0.300 1
1026 96 96 ALA H H 8.021 0.030 1
1027 96 96 ALA HA H 3.706 0.030 1
1028 96 96 ALA HB H 1.581 0.030 1
1029 96 96 ALA C C 179.102 0.300 1
1030 96 96 ALA CA C 55.798 0.300 1
1031 96 96 ALA CB C 18.887 0.300 1
1032 96 96 ALA N N 120.027 0.300 1
1033 97 97 LYS H H 7.925 0.030 1
1034 97 97 LYS HA H 3.950 0.030 1
1035 97 97 LYS HB2 H 1.950 0.030 2
1036 97 97 LYS HB3 H 2.017 0.030 2
1037 97 97 LYS HG2 H 1.554 0.030 2
1038 97 97 LYS HG3 H 1.369 0.030 2
1039 97 97 LYS HD2 H 1.695 0.030 1
1040 97 97 LYS HD3 H 1.695 0.030 1
1041 97 97 LYS HE2 H 2.970 0.030 1
1042 97 97 LYS HE3 H 2.970 0.030 1
1043 97 97 LYS C C 178.411 0.300 1
1044 97 97 LYS CA C 59.951 0.300 1
1045 97 97 LYS CB C 32.628 0.300 1
1046 97 97 LYS CG C 25.088 0.300 1
1047 97 97 LYS CD C 29.942 0.300 1
1048 97 97 LYS CE C 42.192 0.300 1
1049 97 97 LYS N N 118.657 0.300 1
1050 98 98 LEU H H 8.059 0.030 1
1051 98 98 LEU HA H 4.120 0.030 1
1052 98 98 LEU HB2 H 1.615 0.030 2
1053 98 98 LEU HB3 H 2.112 0.030 2
1054 98 98 LEU HG H 1.913 0.030 1
1055 98 98 LEU HD1 H 0.982 0.030 1
1056 98 98 LEU HD2 H 0.941 0.030 1
1057 98 98 LEU C C 179.742 0.300 1
1058 98 98 LEU CA C 57.868 0.300 1
1059 98 98 LEU CB C 42.597 0.300 1
1060 98 98 LEU CG C 26.850 0.300 1
1061 98 98 LEU CD1 C 25.232 0.300 2
1062 98 98 LEU CD2 C 23.076 0.300 2
1063 98 98 LEU N N 119.372 0.300 1
1064 99 99 VAL H H 7.753 0.030 1
1065 99 99 VAL HA H 3.341 0.030 1
1066 99 99 VAL HB H 1.782 0.030 1
1067 99 99 VAL HG1 H 0.188 0.030 1
1068 99 99 VAL HG2 H 0.878 0.030 1
1069 99 99 VAL C C 176.970 0.300 1
1070 99 99 VAL CA C 66.054 0.300 1
1071 99 99 VAL CB C 31.033 0.300 1
1072 99 99 VAL CG1 C 20.777 0.300 2
1073 99 99 VAL CG2 C 23.201 0.300 2
1074 99 99 VAL N N 117.068 0.300 1
1075 100 100 ARG H H 8.080 0.030 1
1076 100 100 ARG HA H 3.429 0.030 1
1077 100 100 ARG HB2 H 1.845 0.030 2
1078 100 100 ARG HB3 H 2.071 0.030 2
1079 100 100 ARG HG2 H 1.684 0.030 2
1080 100 100 ARG HG3 H 1.563 0.030 2
1081 100 100 ARG HD2 H 3.140 0.030 2
1082 100 100 ARG HD3 H 3.222 0.030 2
1083 100 100 ARG C C 177.362 0.300 1
1084 100 100 ARG CA C 60.591 0.300 1
1085 100 100 ARG CB C 30.481 0.300 1
1086 100 100 ARG CG C 27.785 0.300 1
1087 100 100 ARG CD C 43.692 0.300 1
1088 100 100 ARG N N 118.386 0.300 1
1089 101 101 GLU H H 8.323 0.030 1
1090 101 101 GLU HA H 3.980 0.030 1
1091 101 101 GLU HB2 H 2.147 0.030 2
1092 101 101 GLU HB3 H 2.020 0.030 2
1093 101 101 GLU HG2 H 2.499 0.030 2
1094 101 101 GLU HG3 H 2.248 0.030 2
1095 101 101 GLU C C 179.432 0.300 1
1096 101 101 GLU CA C 59.347 0.300 1
1097 101 101 GLU CB C 29.733 0.300 1
1098 101 101 GLU CG C 36.926 0.300 1
1099 101 101 GLU N N 115.857 0.300 1
1100 102 102 VAL H H 7.656 0.030 1
1101 102 102 VAL HA H 4.089 0.030 1
1102 102 102 VAL HB H 2.023 0.030 1
1103 102 102 VAL HG1 H 0.937 0.030 1
1104 102 102 VAL HG2 H 1.028 0.030 1
1105 102 102 VAL C C 176.814 0.300 1
1106 102 102 VAL CA C 63.673 0.300 1
1107 102 102 VAL CB C 31.750 0.300 1
1108 102 102 VAL CG1 C 21.314 0.300 2
1109 102 102 VAL CG2 C 21.583 0.300 2
1110 102 102 VAL N N 114.501 0.300 1
1111 103 103 ALA H H 8.005 0.030 1
1112 103 103 ALA HA H 3.484 0.030 1
1113 103 103 ALA HB H 1.054 0.030 1
1114 103 103 ALA C C 178.948 0.300 1
1115 103 103 ALA CA C 53.295 0.300 1
1116 103 103 ALA CB C 19.432 0.300 1
1117 103 103 ALA N N 121.029 0.300 1
1118 104 104 ALA H H 8.092 0.030 1
1119 104 104 ALA HA H 4.096 0.030 1
1120 104 104 ALA HB H 1.558 0.030 1
1121 104 104 ALA C C 177.243 0.300 1
1122 104 104 ALA CA C 57.044 0.300 1
1123 104 104 ALA CB C 15.847 0.300 1
1124 104 104 ALA N N 119.550 0.300 1
1125 105 105 PRO HA H 4.420 0.030 1
1126 105 105 PRO HB2 H 1.889 0.030 2
1127 105 105 PRO HB3 H 2.345 0.030 2
1128 105 105 PRO HG2 H 1.993 0.030 2
1129 105 105 PRO HG3 H 2.071 0.030 2
1130 105 105 PRO HD2 H 3.622 0.030 1
1131 105 105 PRO HD3 H 3.622 0.030 1
1132 105 105 PRO C C 178.777 0.300 1
1133 105 105 PRO CA C 65.532 0.300 1
1134 105 105 PRO CB C 30.781 0.300 1
1135 105 105 PRO CG C 27.928 0.300 1
1136 105 105 PRO CD C 50.561 0.300 1
1137 106 106 ASP H H 6.968 0.030 1
1138 106 106 ASP HA H 4.569 0.030 1
1139 106 106 ASP HB2 H 2.826 0.030 1
1140 106 106 ASP HB3 H 2.826 0.030 1
1141 106 106 ASP C C 178.875 0.300 1
1142 106 106 ASP CA C 56.634 0.300 1
1143 106 106 ASP CB C 41.805 0.300 1
1144 106 106 ASP N N 117.186 0.300 1
1145 107 107 VAL H H 8.150 0.030 1
1146 107 107 VAL HA H 4.210 0.030 1
1147 107 107 VAL HB H 2.144 0.030 1
1148 107 107 VAL HG1 H 0.952 0.030 1
1149 107 107 VAL HG2 H 0.976 0.030 1
1150 107 107 VAL C C 179.011 0.300 1
1151 107 107 VAL CA C 64.221 0.300 1
1152 107 107 VAL CB C 31.020 0.300 1
1153 107 107 VAL CG1 C 22.392 0.300 2
1154 107 107 VAL CG2 C 20.774 0.300 2
1155 107 107 VAL N N 112.505 0.300 1
1156 108 108 GLY H H 8.597 0.030 1
1157 108 108 GLY HA2 H 3.928 0.030 2
1158 108 108 GLY HA3 H 4.262 0.030 2
1159 108 108 GLY C C 177.641 0.300 1
1160 108 108 GLY CA C 47.298 0.300 1
1161 108 108 GLY N N 111.540 0.300 1
1162 109 109 ARG H H 7.411 0.030 1
1163 109 109 ARG HA H 4.256 0.030 1
1164 109 109 ARG HB2 H 1.991 0.030 2
1165 109 109 ARG HB3 H 2.052 0.030 2
1166 109 109 ARG HG2 H 1.800 0.030 2
1167 109 109 ARG HG3 H 1.991 0.030 2
1168 109 109 ARG HD2 H 3.297 0.030 2
1169 109 109 ARG HD3 H 3.347 0.030 2
1170 109 109 ARG HE H 7.276 0.030 1
1171 109 109 ARG CA C 58.393 0.300 1
1172 109 109 ARG CB C 30.211 0.300 1
1173 109 109 ARG CG C 28.121 0.300 1
1174 109 109 ARG CD C 43.591 0.300 1
1175 109 109 ARG N N 120.603 0.300 1
1176 109 109 ARG NE N 84.534 0.300 1
1177 110 110 MET H H 7.437 0.030 1
1178 110 110 MET HA H 4.378 0.030 1
1179 110 110 MET HB2 H 2.171 0.030 1
1180 110 110 MET HB3 H 2.171 0.030 1
1181 110 110 MET HG2 H 2.509 0.030 2
1182 110 110 MET HG3 H 2.323 0.030 2
1183 110 110 MET HE H 2.002 0.030 1
1184 110 110 MET C C 174.701 0.300 1
1185 110 110 MET CA C 55.142 0.300 1
1186 110 110 MET CB C 33.447 0.300 1
1187 110 110 MET CG C 32.368 0.300 1
1188 110 110 MET CE C 17.824 0.300 1
1189 110 110 MET N N 114.998 0.300 1
1190 111 111 GLY H H 7.813 0.030 1
1191 111 111 GLY HA2 H 3.832 0.030 2
1192 111 111 GLY HA3 H 4.151 0.030 2
1193 111 111 GLY C C 173.210 0.300 1
1194 111 111 GLY CA C 46.119 0.300 1
1195 111 111 GLY N N 104.507 0.300 1
1196 112 112 ILE H H 7.321 0.030 1
1197 112 112 ILE HA H 4.682 0.030 1
1198 112 112 ILE HB H 1.687 0.030 1
1199 112 112 ILE HG12 H 1.145 0.030 2
1200 112 112 ILE HG13 H 1.323 0.030 2
1201 112 112 ILE HG2 H 0.626 0.030 1
1202 112 112 ILE HD1 H 0.646 0.030 1
1203 112 112 ILE C C 173.964 0.300 1
1204 112 112 ILE CA C 58.296 0.300 1
1205 112 112 ILE CB C 39.428 0.300 1
1206 112 112 ILE CG1 C 26.850 0.300 1
1207 112 112 ILE CG2 C 17.415 0.300 1
1208 112 112 ILE CD1 C 12.148 0.300 1
1209 112 112 ILE N N 119.087 0.300 1
1210 113 113 GLU H H 9.033 0.030 1
1211 113 113 GLU HA H 4.528 0.030 1
1212 113 113 GLU HB2 H 1.915 0.030 1
1213 113 113 GLU HB3 H 1.915 0.030 1
1214 113 113 GLU HG2 H 1.988 0.030 2
1215 113 113 GLU HG3 H 2.155 0.030 2
1216 113 113 GLU C C 175.584 0.300 1
1217 113 113 GLU CA C 54.035 0.300 1
1218 113 113 GLU CB C 32.905 0.300 1
1219 113 113 GLU CG C 35.856 0.300 1
1220 113 113 GLU N N 125.915 0.300 1
1221 114 114 ILE H H 9.279 0.030 1
1222 114 114 ILE HA H 4.257 0.030 1
1223 114 114 ILE HB H 1.908 0.030 1
1224 114 114 ILE HG12 H 1.712 0.030 2
1225 114 114 ILE HG13 H 0.683 0.030 2
1226 114 114 ILE HG2 H 0.726 0.030 1
1227 114 114 ILE HD1 H 0.806 0.030 1
1228 114 114 ILE C C 175.334 0.300 1
1229 114 114 ILE CA C 61.390 0.300 1
1230 114 114 ILE CB C 38.009 0.300 1
1231 114 114 ILE CG1 C 27.515 0.300 1
1232 114 114 ILE CG2 C 14.050 0.300 1
1233 114 114 ILE CD1 C 17.684 0.300 1
1234 114 114 ILE N N 124.114 0.300 1
1235 115 115 LEU H H 9.088 0.030 1
1236 115 115 LEU HA H 4.314 0.030 1
1237 115 115 LEU HB2 H 1.516 0.030 2
1238 115 115 LEU HB3 H 1.571 0.030 2
1239 115 115 LEU HG H 1.510 0.030 1
1240 115 115 LEU HD1 H 0.792 0.030 1
1241 115 115 LEU HD2 H 0.765 0.030 1
1242 115 115 LEU C C 177.563 0.300 1
1243 115 115 LEU CA C 56.322 0.300 1
1244 115 115 LEU CB C 42.264 0.300 1
1245 115 115 LEU CG C 27.515 0.300 1
1246 115 115 LEU CD1 C 25.897 0.300 2
1247 115 115 LEU CD2 C 22.855 0.300 2
1248 115 115 LEU N N 129.397 0.300 1
1249 116 116 SER H H 7.748 0.030 1
1250 116 116 SER HA H 4.528 0.030 1
1251 116 116 SER HB2 H 3.813 0.030 1
1252 116 116 SER HB3 H 3.813 0.030 1
1253 116 116 SER C C 172.828 0.300 1
1254 116 116 SER CA C 57.452 0.300 1
1255 116 116 SER CB C 64.589 0.300 1
1256 116 116 SER N N 109.231 0.300 1
1257 117 117 PHE H H 8.802 0.030 1
1258 117 117 PHE HA H 5.275 0.030 1
1259 117 117 PHE HB2 H 2.866 0.030 1
1260 117 117 PHE HB3 H 2.866 0.030 1
1261 117 117 PHE HD1 H 7.189 0.030 1
1262 117 117 PHE HD2 H 7.189 0.030 1
1263 117 117 PHE HE1 H 6.835 0.030 1
1264 117 117 PHE HE2 H 6.835 0.030 1
1265 117 117 PHE HZ H 6.803 0.030 1
1266 117 117 PHE C C 172.677 0.300 1
1267 117 117 PHE CA C 58.252 0.300 1
1268 117 117 PHE CB C 42.075 0.300 1
1269 117 117 PHE CD1 C 131.321 0.300 1
1270 117 117 PHE CD2 C 131.321 0.300 1
1271 117 117 PHE CE1 C 129.973 0.300 1
1272 117 117 PHE CE2 C 129.973 0.300 1
1273 117 117 PHE CZ C 128.051 0.300 1
1274 117 117 PHE N N 122.059 0.300 1
1275 118 118 THR H H 8.177 0.030 1
1276 118 118 THR HA H 4.332 0.030 1
1277 118 118 THR HB H 3.809 0.030 1
1278 118 118 THR HG2 H 1.052 0.030 1
1279 118 118 THR C C 172.155 0.300 1
1280 118 118 THR CA C 59.930 0.300 1
1281 118 118 THR CB C 71.733 0.300 1
1282 118 118 THR CG2 C 21.291 0.300 1
1283 118 118 THR N N 121.027 0.300 1
1284 119 119 ILE H H 8.613 0.030 1
1285 119 119 ILE HA H 3.977 0.030 1
1286 119 119 ILE HB H 1.876 0.030 1
1287 119 119 ILE HG12 H 1.227 0.030 2
1288 119 119 ILE HG13 H 1.104 0.030 2
1289 119 119 ILE HG2 H 0.721 0.030 1
1290 119 119 ILE HD1 H 0.169 0.030 1
1291 119 119 ILE C C 174.735 0.300 1
1292 119 119 ILE CA C 59.094 0.300 1
1293 119 119 ILE CB C 36.031 0.300 1
1294 119 119 ILE CG1 C 26.976 0.300 1
1295 119 119 ILE CG2 C 17.684 0.300 1
1296 119 119 ILE CD1 C 9.442 0.300 1
1297 119 119 ILE N N 123.091 0.300 1
1298 120 120 LYS H H 9.023 0.030 1
1299 120 120 LYS HA H 4.323 0.030 1
1300 120 120 LYS HB2 H 1.630 0.030 2
1301 120 120 LYS HB3 H 1.461 0.030 2
1302 120 120 LYS HG2 H 1.257 0.030 2
1303 120 120 LYS HG3 H 1.305 0.030 2
1304 120 120 LYS HD2 H 1.473 0.030 2
1305 120 120 LYS HD3 H 1.544 0.030 2
1306 120 120 LYS HE2 H 2.897 0.030 1
1307 120 120 LYS HE3 H 2.897 0.030 1
1308 120 120 LYS C C 174.996 0.300 1
1309 120 120 LYS CA C 57.011 0.300 1
1310 120 120 LYS CB C 33.759 0.300 1
1311 120 120 LYS CG C 24.171 0.300 1
1312 120 120 LYS CD C 28.863 0.300 1
1313 120 120 LYS CE C 42.075 0.300 1
1314 120 120 LYS N N 130.552 0.300 1
1315 121 121 ASP H H 7.785 0.030 1
1316 121 121 ASP HA H 4.948 0.030 1
1317 121 121 ASP HB2 H 2.447 0.030 2
1318 121 121 ASP HB3 H 2.531 0.030 2
1319 121 121 ASP C C 173.654 0.300 1
1320 121 121 ASP CA C 53.866 0.300 1
1321 121 121 ASP CB C 44.860 0.300 1
1322 121 121 ASP N N 117.111 0.300 1
1323 122 122 VAL H H 7.935 0.030 1
1324 122 122 VAL HA H 4.726 0.030 1
1325 122 122 VAL HB H 1.842 0.030 1
1326 122 122 VAL HG1 H 0.690 0.030 1
1327 122 122 VAL HG2 H 0.775 0.030 1
1328 122 122 VAL C C 174.290 0.300 1
1329 122 122 VAL CA C 61.491 0.300 1
1330 122 122 VAL CB C 35.064 0.300 1
1331 122 122 VAL CG1 C 21.691 0.300 2
1332 122 122 VAL CG2 C 21.314 0.300 2
1333 122 122 VAL N N 119.716 0.300 1
1334 123 123 TYR H H 8.980 0.030 1
1335 123 123 TYR HA H 5.152 0.030 1
1336 123 123 TYR HB2 H 3.026 0.030 2
1337 123 123 TYR HB3 H 3.217 0.030 2
1338 123 123 TYR HD1 H 6.960 0.030 1
1339 123 123 TYR HD2 H 6.960 0.030 1
1340 123 123 TYR HE1 H 6.682 0.030 1
1341 123 123 TYR HE2 H 6.682 0.030 1
1342 123 123 TYR C C 173.421 0.300 1
1343 123 123 TYR CA C 56.405 0.300 1
1344 123 123 TYR CB C 40.668 0.300 1
1345 123 123 TYR CD1 C 133.478 0.300 1
1346 123 123 TYR CD2 C 133.478 0.300 1
1347 123 123 TYR CE1 C 117.876 0.300 1
1348 123 123 TYR CE2 C 117.876 0.300 1
1349 123 123 TYR N N 123.552 0.300 1
1350 124 124 ASP H H 8.477 0.030 1
1351 124 124 ASP HA H 5.037 0.030 1
1352 124 124 ASP HB2 H 2.725 0.030 2
1353 124 124 ASP HB3 H 2.853 0.030 2
1354 124 124 ASP C C 176.035 0.300 1
1355 124 124 ASP CA C 52.767 0.300 1
1356 124 124 ASP CB C 43.141 0.300 1
1357 124 124 ASP N N 120.724 0.300 1
1358 125 125 LYS H H 8.707 0.030 1
1359 125 125 LYS HA H 4.395 0.030 1
1360 125 125 LYS HB2 H 2.020 0.030 2
1361 125 125 LYS HB3 H 1.799 0.030 2
1362 125 125 LYS HG2 H 1.497 0.030 1
1363 125 125 LYS HG3 H 1.497 0.030 1
1364 125 125 LYS HD2 H 1.728 0.030 1
1365 125 125 LYS HD3 H 1.728 0.030 1
1366 125 125 LYS HE2 H 3.000 0.030 1
1367 125 125 LYS HE3 H 3.000 0.030 1
1368 125 125 LYS C C 177.334 0.300 1
1369 125 125 LYS CA C 57.504 0.300 1
1370 125 125 LYS CB C 33.101 0.300 1
1371 125 125 LYS CG C 24.994 0.300 1
1372 125 125 LYS CD C 29.438 0.300 1
1373 125 125 LYS CE C 42.028 0.300 1
1374 125 125 LYS N N 121.394 0.300 1
1375 126 126 VAL H H 8.425 0.030 1
1376 126 126 VAL HA H 4.152 0.030 1
1377 126 126 VAL HB H 2.257 0.030 1
1378 126 126 VAL HG1 H 0.889 0.030 1
1379 126 126 VAL HG2 H 0.973 0.030 1
1380 126 126 VAL C C 176.459 0.300 1
1381 126 126 VAL CA C 62.821 0.300 1
1382 126 126 VAL CB C 31.966 0.300 1
1383 126 126 VAL CG1 C 21.314 0.300 2
1384 126 126 VAL CG2 C 20.650 0.300 2
1385 126 126 VAL N N 118.175 0.300 1
1386 127 127 ASP H H 8.341 0.030 1
1387 127 127 ASP HA H 4.534 0.030 1
1388 127 127 ASP HB2 H 2.654 0.030 2
1389 127 127 ASP HB3 H 2.830 0.030 2
1390 127 127 ASP C C 177.050 0.300 1
1391 127 127 ASP CA C 55.042 0.300 1
1392 127 127 ASP CB C 40.508 0.300 1
1393 127 127 ASP N N 122.679 0.300 1
1394 128 128 TYR H H 8.808 0.030 1
1395 128 128 TYR HA H 4.216 0.030 1
1396 128 128 TYR HB2 H 3.001 0.030 1
1397 128 128 TYR HB3 H 3.001 0.030 1
1398 128 128 TYR HD1 H 6.951 0.030 1
1399 128 128 TYR HD2 H 6.951 0.030 1
1400 128 128 TYR HE1 H 6.724 0.030 1
1401 128 128 TYR HE2 H 6.724 0.030 1
1402 128 128 TYR C C 177.661 0.300 1
1403 128 128 TYR CA C 60.625 0.300 1
1404 128 128 TYR CB C 38.565 0.300 1
1405 128 128 TYR CD1 C 133.027 0.300 1
1406 128 128 TYR CD2 C 133.027 0.300 1
1407 128 128 TYR CE1 C 118.265 0.300 1
1408 128 128 TYR CE2 C 118.265 0.300 1
1409 128 128 TYR N N 122.087 0.300 1
1410 129 129 LEU H H 8.560 0.030 1
1411 129 129 LEU HA H 3.987 0.030 1
1412 129 129 LEU HB2 H 1.461 0.030 2
1413 129 129 LEU HB3 H 1.732 0.030 2
1414 129 129 LEU HG H 1.614 0.030 1
1415 129 129 LEU HD1 H 0.816 0.030 1
1416 129 129 LEU HD2 H 0.795 0.030 1
1417 129 129 LEU C C 179.127 0.300 1
1418 129 129 LEU CA C 56.847 0.300 1
1419 129 129 LEU CB C 41.446 0.300 1
1420 129 129 LEU CG C 26.887 0.300 1
1421 129 129 LEU CD1 C 25.088 0.300 2
1422 129 129 LEU CD2 C 23.102 0.300 2
1423 129 129 LEU N N 120.658 0.300 1
1424 130 130 SER H H 8.084 0.030 1
1425 130 130 SER HA H 4.297 0.030 1
1426 130 130 SER HB2 H 3.939 0.030 2
1427 130 130 SER HB3 H 3.893 0.030 2
1428 130 130 SER C C 175.871 0.300 1
1429 130 130 SER CA C 59.898 0.300 1
1430 130 130 SER CB C 63.095 0.300 1
1431 130 130 SER N N 114.930 0.300 1
1432 131 131 SER H H 7.984 0.030 1
1433 131 131 SER HA H 4.368 0.030 1
1434 131 131 SER HB2 H 3.920 0.030 2
1435 131 131 SER HB3 H 3.878 0.030 2
1436 131 131 SER C C 175.073 0.300 1
1437 131 131 SER CA C 59.546 0.300 1
1438 131 131 SER CB C 63.532 0.300 1
1439 131 131 SER N N 117.398 0.300 1
1440 132 132 LEU H H 7.666 0.030 1
1441 132 132 LEU HA H 4.208 0.030 1
1442 132 132 LEU HB2 H 1.609 0.030 2
1443 132 132 LEU HB3 H 1.520 0.030 2
1444 132 132 LEU HG H 1.545 0.030 1
1445 132 132 LEU HD1 H 0.815 0.030 1
1446 132 132 LEU HD2 H 0.767 0.030 1
1447 132 132 LEU C C 178.194 0.300 1
1448 132 132 LEU CA C 55.886 0.300 1
1449 132 132 LEU CB C 42.033 0.300 1
1450 132 132 LEU CG C 26.706 0.300 1
1451 132 132 LEU CD1 C 25.088 0.300 2
1452 132 132 LEU CD2 C 23.201 0.300 2
1453 132 132 LEU N N 122.737 0.300 1
1454 133 133 GLY H H 8.174 0.030 1
1455 133 133 GLY HA2 H 3.933 0.030 1
1456 133 133 GLY HA3 H 3.933 0.030 1
1457 133 133 GLY C C 174.451 0.300 1
1458 133 133 GLY CA C 45.621 0.300 1
1459 133 133 GLY N N 108.258 0.300 1
1460 134 134 LYS H H 7.935 0.030 1
1461 134 134 LYS HA H 4.410 0.030 1
1462 134 134 LYS HB2 H 1.759 0.030 2
1463 134 134 LYS HB3 H 1.872 0.030 2
1464 134 134 LYS HG2 H 1.384 0.030 2
1465 134 134 LYS HG3 H 1.429 0.030 2
1466 134 134 LYS HD2 H 1.698 0.030 1
1467 134 134 LYS HD3 H 1.698 0.030 1
1468 134 134 LYS HE2 H 2.999 0.030 1
1469 134 134 LYS HE3 H 2.999 0.030 1
1470 134 134 LYS C C 176.921 0.300 1
1471 134 134 LYS CA C 56.282 0.300 1
1472 134 134 LYS CB C 33.177 0.300 1
1473 134 134 LYS CG C 24.819 0.300 1
1474 134 134 LYS CD C 29.026 0.300 1
1475 134 134 LYS CE C 42.192 0.300 1
1476 134 134 LYS N N 120.241 0.300 1
1477 135 135 THR H H 8.143 0.030 1
1478 135 135 THR HA H 4.345 0.030 1
1479 135 135 THR HB H 4.218 0.030 1
1480 135 135 THR HG2 H 1.210 0.030 1
1481 135 135 THR C C 174.571 0.300 1
1482 135 135 THR CA C 62.070 0.300 1
1483 135 135 THR CB C 69.846 0.300 1
1484 135 135 THR CG2 C 21.703 0.300 1
1485 135 135 THR N N 114.930 0.300 1
1486 136 136 GLN H H 8.464 0.030 1
1487 136 136 GLN HA H 4.458 0.030 1
1488 136 136 GLN HB2 H 2.024 0.030 2
1489 136 136 GLN HB3 H 2.155 0.030 2
1490 136 136 GLN HG2 H 2.383 0.030 1
1491 136 136 GLN HG3 H 2.383 0.030 1
1492 136 136 GLN HE21 H 6.879 0.030 2
1493 136 136 GLN HE22 H 7.520 0.030 2
1494 136 136 GLN C C 176.155 0.300 1
1495 136 136 GLN CA C 55.955 0.300 1
1496 136 136 GLN CB C 29.672 0.300 1
1497 136 136 GLN CG C 33.986 0.300 1
1498 136 136 GLN N N 122.940 0.300 1
1499 136 136 GLN NE2 N 112.429 0.300 1
1500 137 137 THR H H 8.268 0.030 1
1501 137 137 THR HA H 4.417 0.030 1
1502 137 137 THR HB H 4.277 0.030 1
1503 137 137 THR HG2 H 1.204 0.030 1
1504 137 137 THR C C 174.608 0.300 1
1505 137 137 THR CA C 61.757 0.300 1
1506 137 137 THR CB C 69.823 0.300 1
1507 137 137 THR CG2 C 21.620 0.300 1
1508 137 137 THR N N 115.374 0.300 1
1509 138 138 SER H H 8.354 0.030 1
1510 138 138 SER HA H 4.542 0.030 1
1511 138 138 SER HB2 H 3.870 0.030 1
1512 138 138 SER HB3 H 3.870 0.030 1
1513 138 138 SER C C 174.484 0.300 1
1514 138 138 SER CA C 58.312 0.300 1
1515 138 138 SER CB C 64.049 0.300 1
1516 138 138 SER N N 118.112 0.300 1
1517 139 139 GLY H H 8.280 0.030 1
1518 139 139 GLY HA2 H 4.111 0.030 2
1519 139 139 GLY HA3 H 4.168 0.030 2
1520 139 139 GLY C C 171.766 0.300 1
1521 139 139 GLY CA C 44.653 0.300 1
1522 139 139 GLY N N 110.760 0.300 1
1523 140 140 PRO HA H 4.484 0.030 1
1524 140 140 PRO HB2 H 2.320 0.030 1
1525 140 140 PRO HB3 H 2.320 0.030 1
1526 140 140 PRO HG2 H 2.028 0.030 1
1527 140 140 PRO HG3 H 2.028 0.030 1
1528 140 140 PRO HD2 H 3.633 0.030 1
1529 140 140 PRO HD3 H 3.633 0.030 1
1530 140 140 PRO C C 177.430 0.300 1
1531 140 140 PRO CA C 63.285 0.300 1
1532 140 140 PRO CB C 32.368 0.300 1
1533 140 140 PRO CG C 27.245 0.300 1
1534 140 140 PRO CD C 49.845 0.300 1
1535 141 141 SER H H 8.533 0.030 1
1536 141 141 SER HA H 4.561 0.030 1
1537 141 141 SER HB2 H 3.892 0.030 1
1538 141 141 SER HB3 H 3.892 0.030 1
1539 141 141 SER C C 174.744 0.300 1
1540 141 141 SER CA C 58.372 0.300 1
1541 141 141 SER CB C 63.930 0.300 1
1542 141 141 SER N N 116.402 0.300 1
1543 142 142 SER H H 8.588 0.030 1
1544 142 142 SER HA H 4.517 0.030 1
1545 142 142 SER HB2 H 3.903 0.030 1
1546 142 142 SER HB3 H 3.903 0.030 1
1547 142 142 SER C C 175.145 0.300 1
1548 142 142 SER CA C 58.599 0.300 1
1549 142 142 SER CB C 63.915 0.300 1
1550 142 142 SER N N 118.154 0.300 1
1551 143 143 GLY H H 8.488 0.030 1
1552 143 143 GLY C C 174.399 0.300 1
1553 143 143 GLY CA C 45.475 0.300 1
1554 143 143 GLY N N 110.919 0.300 1
stop_
save_