data_17762
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the monomeric derivative of BS-RNase
;
_BMRB_accession_number 17762
_BMRB_flat_file_name bmr17762.str
_Entry_type original
_Submission_date 2011-07-06
_Accession_date 2011-07-06
_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 Spadaccini Roberta . .
2 Picone Delia . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 536
"13C chemical shifts" 350
"15N chemical shifts" 132
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-07-30 update author 'Delete the shift of 114 PRO C 3.597'
2012-01-25 update author 'update chemical shift'
2012-01-23 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_mbs_refined_structure
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR Studies on Structure and Dynamics of the Monomeric Derivative of BS-RNase: New Insights for 3D Domain Swapping.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22253705
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Spadaccini Roberta . .
2 Ercole Carmine . .
3 Gentile Maria A. .
4 Sanfelice Domenico . .
5 Boelens Rolf . .
6 Wechselberger Rainer . .
7 Batta Gyula . .
8 Bernini Andrea . .
9 Niccolai Neri . .
10 Picone Delia . .
stop_
_Journal_abbreviation 'PLoS ONE'
_Journal_name_full 'PloS one'
_Journal_volume 7
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year 2012
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name BS-RNase
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
mBS $mBS
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_mBS
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common mBS
_Molecular_mass 13633.684
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 124
_Mol_residue_sequence
;
KESAAAKFERQHMDSGNSPS
SSSNYCNLMMCCRKMTQGKC
KPVNTFVHESLADVKAVCSQ
KKVTCKDGQTNCYQSKSTMR
ITDCRETGSSKYPNCAYKTT
QVEKHIIVACGGKPSVPVHF
DASV
;
loop_
_Residue_seq_code
_Residue_label
1 LYS 2 GLU 3 SER 4 ALA 5 ALA
6 ALA 7 LYS 8 PHE 9 GLU 10 ARG
11 GLN 12 HIS 13 MET 14 ASP 15 SER
16 GLY 17 ASN 18 SER 19 PRO 20 SER
21 SER 22 SER 23 SER 24 ASN 25 TYR
26 CYS 27 ASN 28 LEU 29 MET 30 MET
31 CYS 32 CYS 33 ARG 34 LYS 35 MET
36 THR 37 GLN 38 GLY 39 LYS 40 CYS
41 LYS 42 PRO 43 VAL 44 ASN 45 THR
46 PHE 47 VAL 48 HIS 49 GLU 50 SER
51 LEU 52 ALA 53 ASP 54 VAL 55 LYS
56 ALA 57 VAL 58 CYS 59 SER 60 GLN
61 LYS 62 LYS 63 VAL 64 THR 65 CYS
66 LYS 67 ASP 68 GLY 69 GLN 70 THR
71 ASN 72 CYS 73 TYR 74 GLN 75 SER
76 LYS 77 SER 78 THR 79 MET 80 ARG
81 ILE 82 THR 83 ASP 84 CYS 85 ARG
86 GLU 87 THR 88 GLY 89 SER 90 SER
91 LYS 92 TYR 93 PRO 94 ASN 95 CYS
96 ALA 97 TYR 98 LYS 99 THR 100 THR
101 GLN 102 VAL 103 GLU 104 LYS 105 HIS
106 ILE 107 ILE 108 VAL 109 ALA 110 CYS
111 GLY 112 GLY 113 LYS 114 PRO 115 SER
116 VAL 117 PRO 118 VAL 119 HIS 120 PHE
121 ASP 122 ALA 123 SER 124 VAL
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-04
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 11BA "Binding Of A Substrate Analogue To A Domain Swapping Protein In The Complex Of Bovine Seminal Ribonuclease With Uridylyl-2',5'-" 100.00 124 99.19 100.00 1.53e-84
PDB 11BG "A Potential Allosteric Subsite Generated By Domain Swapping In Bovine Seminal Ribonuclease" 100.00 124 99.19 100.00 1.53e-84
PDB 1BSR "Bovine Seminal Ribonuclease Structure At 1.9 Angstroms Resolution" 100.00 124 99.19 100.00 1.53e-84
PDB 1N1X "Crystal Structure Analysis Of The Monomeric [s- Carboxyamidomethyl-Cys31, S-Carboxyamidomethyl-Cys32] Bovine Seminal Ribonuclea" 100.00 124 97.58 98.39 2.86e-82
PDB 1N3Z "Crystal Structure Of The [s-Carboxyamidomethyl-Cys31, S- Carboxyamidomethyl-Cys32] Monomeric Derivative Of The Bovine Seminal R" 100.00 124 97.58 98.39 2.86e-82
PDB 1QWQ "Solution Structure Of The Monomeric N67d Mutant Of Bovine Seminal Ribonuclease" 100.00 124 100.00 100.00 3.11e-85
PDB 1R3M "Crystal Structure Of The Dimeric Unswapped Form Of Bovine Seminal Ribonuclease" 100.00 124 99.19 100.00 1.53e-84
PDB 1R5C "X-Ray Structure Of The Complex Of Bovine Seminal Ribonuclease Swapping Dimer With D(Cpa)" 100.00 124 99.19 100.00 1.53e-84
PDB 1R5D "X-Ray Structure Of Bovine Seminal Ribonuclease Swapping Dimer From A New Crystal Form" 100.00 124 99.19 100.00 1.53e-84
PDB 1TQ9 "Non-Covalent Swapped Dimer Of Bovine Seminal Ribonuclease In Complex With 2'-Deoxycytidine-2'-Deoxyadenosine-3',5'- Monophospha" 100.00 124 97.58 98.39 2.86e-82
PDB 1Y92 "Crystal Structure Of The P19aN67D VARIANT OF BOVINE Seminal Ribonuclease" 100.00 124 99.19 99.19 3.43e-84
PDB 2LFJ "Solution Structure Of The Monomeric Derivative Of Bs-Rnase" 100.00 124 100.00 100.00 3.11e-85
PDB 3BCM "Crystal Structure Of The Unswapped Form Of P19aL28QN67D Bs-Rnase" 100.00 124 98.39 98.39 4.67e-83
PDB 3BCO "Crystal Structure Of The Swapped Form Of P19aL28QN67D BS- Rnase" 100.00 124 98.39 98.39 4.67e-83
PDB 3DJO "Bovine Seminal Ribonuclease Uridine 2' Phosphate Complex" 100.00 124 99.19 100.00 1.53e-84
PDB 3DJP "Bovine Seminal Ribonuclease- Uridine 3' Phosphate Complex" 100.00 124 99.19 100.00 1.53e-84
PDB 3DJQ "Bovine Seminal Ribonuclease- Uridine 5' Diphosphate Complex" 100.00 124 99.19 100.00 1.53e-84
PDB 3DJV "Bovine Seminal Ribonuclease- Cytidine 3' Phosphate Complex" 100.00 124 99.19 100.00 1.53e-84
PDB 3DJX "Bovine Seminal Ribonuclease- Cytidine 5' Phosphate Complex" 100.00 124 99.19 100.00 1.53e-84
EMBL CAA04155 "seminal ribonuclease [Bos taurus]" 100.00 150 99.19 100.00 3.24e-85
EMBL CAA26832 "seminal RNase (aa 47-124) [Bos taurus]" 62.90 78 98.72 100.00 1.58e-47
EMBL CAA35716 "seminal ribonuclease [Bos taurus]" 100.00 150 99.19 100.00 3.24e-85
GB AAB27820 "bovine seminal ribonuclease [synthetic construct]" 100.00 125 99.19 100.00 1.67e-84
GB AAB36140 "seminal ribonuclease, partial [Bos taurus]" 100.00 124 99.19 100.00 1.53e-84
GB ELR52955 "Seminal ribonuclease [Bos mutus]" 99.19 150 99.19 100.00 1.23e-84
REF NP_861526 "seminal ribonuclease precursor [Bos taurus]" 100.00 150 99.19 100.00 3.24e-85
REF XP_005211518 "PREDICTED: seminal ribonuclease isoform X1 [Bos taurus]" 100.00 150 99.19 100.00 3.24e-85
REF XP_005900636 "PREDICTED: seminal ribonuclease [Bos mutus]" 99.19 150 99.19 100.00 1.23e-84
REF XP_010837733 "PREDICTED: seminal ribonuclease [Bison bison bison]" 100.00 150 97.58 100.00 1.03e-83
SP P00669 "RecName: Full=Seminal ribonuclease; Short=S-RNase; Short=Seminal RNase; AltName: Full=Ribonuclease BS-1; Flags: Precursor" 100.00 150 99.19 100.00 3.24e-85
TPE CDG32087 "TPA: ribonuclease A C1 [Bos taurus]" 100.00 150 99.19 100.00 3.24e-85
TPG DAA25468 "TPA: seminal ribonuclease precursor [Bos taurus]" 100.00 150 99.19 100.00 3.24e-85
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$mBS cow 9913 Eukaryota Metazoa Bos taurus
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
$mBS 'recombinant technology' . Escherichia coli . pET22b(+)
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
$mBS 1 mM '[U-100% 13C; U-100% 15N]'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$mBS 1 mM '[U-100% 15N]'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_AMBER
_Saveframe_category software
_Name AMBER
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 750
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCO_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_2D_1H-15N_HSQC_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_aliphatic_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_comditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.8 . pH
temperature 300 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCO'
'3D HNCA'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HCCH-TOCSY'
'3D 1H-15N NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $comditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name mBS
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 LYS CA C 53.873 0.000 1
2 1 1 LYS CB C 29.878 0.000 1
3 2 2 GLU H H 8.448 0.000 1
4 2 2 GLU HA H 4.370 0.000 1
5 2 2 GLU HB2 H 2.090 0.000 2
6 2 2 GLU HG2 H 2.430 0.000 2
7 2 2 GLU CA C 53.440 0.000 1
8 2 2 GLU CB C 29.147 0.000 1
9 2 2 GLU CG C 34.123 0.000 1
10 2 2 GLU N N 126.119 0.000 1
11 3 3 SER H H 8.755 0.000 1
12 3 3 SER HA H 4.500 0.000 1
13 3 3 SER HB2 H 4.418 0.000 2
14 3 3 SER CA C 54.907 0.000 1
15 3 3 SER CB C 62.511 0.000 1
16 3 3 SER N N 124.530 0.000 1
17 4 4 ALA H H 8.961 0.000 1
18 4 4 ALA HA H 4.216 0.000 1
19 4 4 ALA HB H 1.594 0.000 1
20 4 4 ALA CA C 52.858 0.000 1
21 4 4 ALA CB C 15.389 0.000 1
22 4 4 ALA N N 125.341 0.000 1
23 5 5 ALA H H 8.659 0.000 1
24 5 5 ALA HA H 4.375 0.000 1
25 5 5 ALA HB H 1.475 0.000 1
26 5 5 ALA CA C 52.565 0.000 1
27 5 5 ALA CB C 15.974 0.000 1
28 5 5 ALA N N 121.896 0.000 1
29 6 6 ALA H H 8.009 0.000 1
30 6 6 ALA HA H 4.216 0.000 1
31 6 6 ALA HB H 1.594 0.000 1
32 6 6 ALA CA C 52.272 0.000 1
33 6 6 ALA CB C 15.389 0.000 1
34 6 6 ALA N N 123.734 0.000 1
35 7 7 LYS H H 8.737 0.000 1
36 7 7 LYS HA H 4.025 0.000 1
37 7 7 LYS HB2 H 2.003 0.000 2
38 7 7 LYS HG2 H 1.427 0.000 2
39 7 7 LYS HD2 H 1.740 0.000 1
40 7 7 LYS HE2 H 3.007 0.000 1
41 7 7 LYS CA C 57.834 0.000 1
42 7 7 LYS CB C 29.732 0.000 1
43 7 7 LYS CG C 22.414 0.000 1
44 7 7 LYS CD C 27.098 0.000 1
45 7 7 LYS N N 123.118 0.000 1
46 8 8 PHE H H 8.058 0.000 1
47 8 8 PHE HA H 4.388 0.000 1
48 8 8 PHE HB2 H 3.486 0.000 2
49 8 8 PHE HD1 H 6.977 0.000 3
50 8 8 PHE HD2 H 6.977 0.000 3
51 8 8 PHE HE1 H 6.833 0.000 3
52 8 8 PHE HE2 H 6.833 0.000 3
53 8 8 PHE HZ H 6.999 0.000 1
54 8 8 PHE CA C 59.298 0.000 1
55 8 8 PHE CB C 36.465 0.000 1
56 8 8 PHE N N 120.604 0.000 1
57 9 9 GLU H H 7.922 0.000 1
58 9 9 GLU HA H 3.742 0.000 1
59 9 9 GLU HB2 H 2.736 0.000 2
60 9 9 GLU HG2 H 2.190 0.000 1
61 9 9 GLU CA C 58.127 0.000 1
62 9 9 GLU CB C 35.001 0.000 1
63 9 9 GLU CG C 27.090 0.000 1
64 9 9 GLU N N 119.978 0.000 1
65 10 10 ARG H H 8.323 0.000 1
66 10 10 ARG HA H 4.197 0.000 1
67 10 10 ARG HB2 H 2.003 0.000 2
68 10 10 ARG HG2 H 1.857 0.000 2
69 10 10 ARG HD2 H 3.227 0.000 2
70 10 10 ARG HE H 9.679 0.000 1
71 10 10 ARG CA C 56.663 0.000 1
72 10 10 ARG CB C 27.683 0.000 1
73 10 10 ARG CG C 29.440 0.000 1
74 10 10 ARG CD C 40.563 0.000 1
75 10 10 ARG N N 120.914 0.000 1
76 10 10 ARG NE N 113.575 0.000 1
77 11 11 GLN H H 8.425 0.000 1
78 11 11 GLN HA H 3.787 0.000 1
79 11 11 GLN HB2 H 1.323 0.000 2
80 11 11 GLN HG2 H 2.045 0.000 2
81 11 11 GLN HE21 H 7.216 0.000 1
82 11 11 GLN HE22 H 6.732 0.000 1
83 11 11 GLN CA C 55.492 0.000 1
84 11 11 GLN CB C 26.805 0.000 1
85 11 11 GLN CG C 33.245 0.000 1
86 11 11 GLN N N 112.201 0.000 1
87 11 11 GLN NE2 N 112.253 0.000 1
88 12 12 HIS H H 7.708 0.000 1
89 12 12 HIS HA H 4.943 0.000 1
90 12 12 HIS HB2 H 2.528 0.000 2
91 12 12 HIS HD2 H 7.379 0.000 1
92 12 12 HIS HE1 H 6.562 0.000 1
93 12 12 HIS CA C 52.272 0.000 1
94 12 12 HIS CB C 27.680 0.000 1
95 12 12 HIS N N 106.607 0.000 1
96 13 13 MET H H 8.037 0.000 1
97 13 13 MET HA H 5.460 0.000 1
98 13 13 MET HB2 H 2.792 0.000 2
99 13 13 MET HG2 H 2.954 0.000 2
100 13 13 MET HE H 1.943 0.000 1
101 13 13 MET CA C 50.516 0.000 1
102 13 13 MET CB C 27.098 0.000 1
103 13 13 MET CG C 28.561 0.000 1
104 13 13 MET N N 117.217 0.000 1
105 14 14 ASP H H 8.805 0.000 1
106 14 14 ASP HA H 5.024 0.000 1
107 14 14 ASP HB2 H 2.398 0.000 2
108 14 14 ASP CA C 51.101 0.000 1
109 14 14 ASP CB C 37.636 0.000 1
110 14 14 ASP N N 123.910 0.000 1
111 15 15 SER H H 8.943 0.000 1
112 15 15 SER HA H 4.202 0.000 1
113 15 15 SER HB2 H 3.718 0.000 2
114 15 15 SER CA C 58.127 0.000 1
115 15 15 SER CB C 61.347 0.000 1
116 15 15 SER N N 121.832 0.000 1
117 16 16 GLY H H 8.586 0.000 1
118 16 16 GLY HA2 H 4.123 0.000 2
119 16 16 GLY CA C 42.905 0.000 1
120 16 16 GLY N N 111.703 0.000 1
121 17 17 ASN H H 7.983 0.000 1
122 17 17 ASN HA H 4.660 0.000 1
123 17 17 ASN HB2 H 2.650 0.000 2
124 17 17 ASN HD21 H 7.802 0.000 1
125 17 17 ASN HD22 H 6.779 0.000 1
126 17 17 ASN CA C 50.223 0.000 1
127 17 17 ASN CB C 37.346 0.000 1
128 17 17 ASN N N 119.334 0.000 1
129 17 17 ASN ND2 N 114.536 0.000 1
130 18 18 SER H H 8.291 0.000 1
131 18 18 SER HA H 4.187 0.000 1
132 18 18 SER HB2 H 3.624 0.000 1
133 18 18 SER CA C 53.443 0.000 1
134 18 18 SER CB C 60.468 0.000 1
135 18 18 SER N N 117.557 0.000 1
136 19 19 PRO HA H 4.204 0.000 1
137 19 19 PRO HB2 H 1.859 0.000 2
138 19 19 PRO HG2 H 1.145 0.000 2
139 19 19 PRO HD2 H 3.170 0.000 2
140 19 19 PRO CA C 60.468 0.000 1
141 19 19 PRO CB C 29.147 0.000 1
142 19 19 PRO CG C 24.171 0.000 1
143 19 19 PRO CD C 47.880 0.000 1
144 20 20 SER H H 8.118 0.000 1
145 20 20 SER HA H 4.370 0.000 1
146 20 20 SER HB2 H 3.667 0.000 2
147 20 20 SER CA C 54.907 0.000 1
148 20 20 SER CB C 61.347 0.000 1
149 20 20 SER N N 115.589 0.000 1
150 21 21 SER H H 8.406 0.000 1
151 21 21 SER HA H 4.398 0.000 1
152 21 21 SER HB2 H 3.928 0.000 1
153 21 21 SER CA C 56.370 0.000 1
154 21 21 SER CB C 61.639 0.000 1
155 21 21 SER N N 118.787 0.000 1
156 22 22 SER H H 8.278 0.000 1
157 22 22 SER HA H 4.579 0.000 1
158 22 22 SER HB2 H 4.017 0.000 2
159 22 22 SER CA C 56.076 0.000 1
160 22 22 SER CB C 61.054 0.000 1
161 22 22 SER N N 116.967 0.000 1
162 23 23 SER H H 8.376 0.000 1
163 23 23 SER HA H 4.520 0.000 1
164 23 23 SER HB2 H 3.973 0.000 2
165 23 23 SER CA C 57.956 0.000 1
166 23 23 SER CB C 61.639 0.000 1
167 23 23 SER N N 119.166 0.000 1
168 24 24 ASN H H 8.483 0.000 1
169 24 24 ASN HA H 4.940 0.000 1
170 24 24 ASN HB2 H 2.766 0.000 2
171 24 24 ASN HD21 H 7.664 0.000 1
172 24 24 ASN HD22 H 7.184 0.000 1
173 24 24 ASN CA C 50.516 0.000 1
174 24 24 ASN CB C 36.758 0.000 1
175 24 24 ASN N N 120.511 0.000 1
176 25 25 TYR H H 7.765 0.000 1
177 25 25 TYR HA H 3.941 0.000 1
178 25 25 TYR HB2 H 2.766 0.000 2
179 25 25 TYR HD1 H 6.960 0.000 3
180 25 25 TYR HD2 H 6.960 0.000 3
181 25 25 TYR HE1 H 6.381 0.000 3
182 25 25 TYR HE2 H 6.381 0.000 3
183 25 25 TYR HH H 9.126 0.000 1
184 25 25 TYR CA C 59.883 0.000 1
185 25 25 TYR CB C 36.465 0.000 1
186 25 25 TYR N N 121.549 0.000 1
187 26 26 CYS H H 7.800 0.000 1
188 26 26 CYS HA H 3.784 0.000 1
189 26 26 CYS HB2 H 2.135 0.000 2
190 26 26 CYS CA C 59.005 0.000 1
191 26 26 CYS CB C 37.636 0.000 1
192 26 26 CYS N N 115.301 0.000 1
193 27 27 ASN H H 7.774 0.000 1
194 27 27 ASN HA H 4.376 0.000 1
195 27 27 ASN HB2 H 2.840 0.000 2
196 27 27 ASN HD21 H 7.630 0.000 1
197 27 27 ASN HD22 H 6.949 0.000 1
198 27 27 ASN CA C 53.736 0.000 1
199 27 27 ASN CB C 34.416 0.000 1
200 27 27 ASN N N 120.386 0.000 1
201 27 27 ASN ND2 N 110.203 0.000 1
202 28 28 LEU H H 7.434 0.000 1
203 28 28 LEU HA H 4.085 0.000 1
204 28 28 LEU HB2 H 1.533 0.000 2
205 28 28 LEU HG H 1.377 0.000 1
206 28 28 LEU HD1 H 0.760 0.000 1
207 28 28 LEU HD2 H 0.760 0.000 1
208 28 28 LEU CA C 55.199 0.000 1
209 28 28 LEU CB C 39.978 0.000 1
210 28 28 LEU CG C 24.171 0.000 1
211 28 28 LEU CD1 C 21.536 0.000 1
212 28 28 LEU CD2 C 21.536 0.000 1
213 28 28 LEU N N 120.114 0.000 1
214 29 29 MET H H 8.474 0.000 1
215 29 29 MET HA H 4.189 0.000 1
216 29 29 MET HB2 H 0.870 0.000 2
217 29 29 MET HG2 H 1.377 0.000 2
218 29 29 MET CA C 53.443 0.000 1
219 29 29 MET CB C 28.269 0.000 1
220 29 29 MET CG C 28.854 0.000 1
221 29 29 MET N N 118.101 0.000 1
222 30 30 MET H H 8.672 0.000 1
223 30 30 MET HA H 4.308 0.000 1
224 30 30 MET HB2 H 1.688 0.000 2
225 30 30 MET HG2 H 0.479 0.000 2
226 30 30 MET CA C 54.614 0.000 1
227 30 30 MET CB C 27.098 0.000 1
228 30 30 MET CG C 28.561 0.000 1
229 30 30 MET N N 116.980 0.000 1
230 31 31 CYS H H 6.592 0.000 1
231 31 31 CYS HA H 4.713 0.000 1
232 31 31 CYS HB2 H 3.363 0.000 2
233 31 31 CYS CA C 55.786 0.000 1
234 31 31 CYS CB C 39.392 0.000 1
235 31 31 CYS N N 116.217 0.000 1
236 32 32 CYS H H 9.448 0.000 1
237 32 32 CYS HA H 4.410 0.000 1
238 32 32 CYS HB2 H 3.121 0.000 2
239 32 32 CYS CA C 56.078 0.000 1
240 32 32 CYS CB C 37.343 0.000 1
241 32 32 CYS N N 124.056 0.000 1
242 33 33 ARG H H 8.099 0.000 1
243 33 33 ARG HA H 4.467 0.000 1
244 33 33 ARG HB2 H 2.406 0.000 2
245 33 33 ARG HG2 H 1.736 0.000 2
246 33 33 ARG HD2 H 3.465 0.000 2
247 33 33 ARG HE H 7.294 0.000 1
248 33 33 ARG CA C 50.809 0.000 1
249 33 33 ARG CB C 26.220 0.000 1
250 33 33 ARG CD C 39.392 0.000 1
251 33 33 ARG N N 116.829 0.000 1
252 33 33 ARG NE N 114.073 0.000 1
253 34 34 LYS H H 7.690 0.000 1
254 34 34 LYS HA H 4.360 0.000 1
255 34 34 LYS HB2 H 2.157 0.000 2
256 34 34 LYS HG2 H 1.299 0.000 2
257 34 34 LYS HD2 H 1.696 0.000 2
258 34 34 LYS HE2 H 3.031 0.000 1
259 34 34 LYS CA C 54.321 0.000 1
260 34 34 LYS CB C 25.634 0.000 1
261 34 34 LYS CG C 22.414 0.000 1
262 34 34 LYS CD C 26.220 0.000 1
263 34 34 LYS CE C 40.563 0.000 1
264 34 34 LYS N N 111.068 0.000 1
265 35 35 MET H H 8.195 0.000 1
266 35 35 MET HA H 4.749 0.000 1
267 35 35 MET HB2 H 2.364 0.000 2
268 35 35 MET HG2 H 2.197 0.000 2
269 35 35 MET HE H 1.740 0.000 1
270 35 35 MET CA C 53.443 0.000 1
271 35 35 MET CB C 30.903 0.000 1
272 35 35 MET CG C 31.489 0.000 1
273 35 35 MET N N 116.639 0.000 1
274 36 36 THR H H 7.562 0.000 1
275 36 36 THR HA H 5.292 0.000 1
276 36 36 THR HB H 4.846 0.000 1
277 36 36 THR HG2 H 1.167 0.000 1
278 36 36 THR CA C 58.127 0.000 1
279 36 36 THR CB C 66.030 0.000 1
280 36 36 THR CG2 C 18.902 0.000 1
281 36 36 THR N N 107.641 0.000 1
282 37 37 GLN H H 7.334 0.000 1
283 37 37 GLN HA H 4.554 0.000 1
284 37 37 GLN HB2 H 2.069 0.000 1
285 37 37 GLN HG2 H 2.410 0.000 2
286 37 37 GLN HE21 H 7.394 0.000 1
287 37 37 GLN HE22 H 6.474 0.000 1
288 37 37 GLN CA C 52.858 0.000 1
289 37 37 GLN CB C 26.220 0.000 1
290 37 37 GLN CG C 30.903 0.000 1
291 37 37 GLN N N 121.079 0.000 1
292 37 37 GLN NE2 N 112.457 0.000 1
293 38 38 GLY H H 8.345 0.000 1
294 38 38 GLY HA2 H 4.189 0.000 2
295 38 38 GLY CA C 43.783 0.000 1
296 38 38 GLY N N 118.390 0.000 1
297 39 39 LYS H H 7.222 0.000 1
298 39 39 LYS HA H 3.555 0.000 1
299 39 39 LYS HB2 H 1.624 0.000 2
300 39 39 LYS HG2 H 0.945 0.000 2
301 39 39 LYS HD2 H 1.524 0.000 1
302 39 39 LYS HE2 H 2.862 0.000 1
303 39 39 LYS CA C 52.272 0.000 1
304 39 39 LYS CB C 31.196 0.000 1
305 39 39 LYS CG C 20.658 0.000 1
306 39 39 LYS CD C 26.805 0.000 1
307 39 39 LYS CE C 39.685 0.000 1
308 39 39 LYS N N 116.961 0.000 1
309 40 40 CYS H H 8.891 0.000 1
310 40 40 CYS HA H 4.787 0.000 1
311 40 40 CYS HB2 H 3.025 0.000 2
312 40 40 CYS CA C 50.809 0.000 1
313 40 40 CYS CB C 34.101 0.000 1
314 40 40 CYS N N 119.480 0.000 1
315 41 41 LYS H H 7.902 0.000 1
316 41 41 LYS HA H 4.550 0.000 1
317 41 41 LYS HB2 H 1.706 0.000 2
318 41 41 LYS HG2 H 1.611 0.000 2
319 41 41 LYS HE2 H 3.363 0.000 2
320 41 41 LYS CA C 53.443 0.000 1
321 41 41 LYS CB C 31.489 0.000 1
322 41 41 LYS CG C 23.001 0.000 1
323 41 41 LYS CE C 39.978 0.000 1
324 41 41 LYS N N 130.320 0.000 1
325 42 42 PRO HA H 4.600 0.000 1
326 42 42 PRO HB2 H 2.503 0.000 2
327 42 42 PRO HG2 H 2.199 0.000 1
328 42 42 PRO HD2 H 3.919 0.000 2
329 42 42 PRO CA C 63.981 0.000 1
330 42 42 PRO CB C 29.732 0.000 1
331 42 42 PRO CG C 25.341 0.000 1
332 42 42 PRO CD C 49.052 0.000 1
333 43 43 VAL H H 6.967 0.000 1
334 43 43 VAL HA H 5.302 0.000 1
335 43 43 VAL HB H 2.131 0.000 1
336 43 43 VAL HG1 H 0.953 0.000 2
337 43 43 VAL HG2 H 0.985 0.000 2
338 43 43 VAL CA C 56.663 0.000 1
339 43 43 VAL CB C 32.952 0.000 1
340 43 43 VAL CG1 C 18.023 0.000 1
341 43 43 VAL CG2 C 18.023 0.000 1
342 43 43 VAL N N 111.738 0.000 1
343 44 44 ASN H H 8.741 0.000 1
344 44 44 ASN HA H 4.770 0.000 1
345 44 44 ASN HB2 H 2.363 0.000 2
346 44 44 ASN HD21 H 6.759 0.000 1
347 44 44 ASN HD22 H 4.190 0.000 1
348 44 44 ASN CA C 51.687 0.000 1
349 44 44 ASN CB C 41.734 0.000 1
350 44 44 ASN N N 120.558 0.000 1
351 44 44 ASN ND2 N 115.816 0.000 1
352 45 45 THR H H 6.938 0.000 1
353 45 45 THR HA H 5.142 0.000 1
354 45 45 THR HB H 2.213 0.000 1
355 45 45 THR HG2 H 0.732 0.000 1
356 45 45 THR CA C 59.005 0.000 1
357 45 45 THR CB C 68.079 0.000 1
358 45 45 THR CG2 C 19.780 0.000 1
359 45 45 THR N N 120.658 0.000 1
360 46 46 PHE H H 9.318 0.000 1
361 46 46 PHE HA H 4.916 0.000 1
362 46 46 PHE HB2 H 2.740 0.000 2
363 46 46 PHE HD1 H 6.809 0.000 3
364 46 46 PHE HD2 H 6.809 0.000 3
365 46 46 PHE HE1 H 6.873 0.000 3
366 46 46 PHE HE2 H 6.873 0.000 3
367 46 46 PHE HZ H 6.479 0.000 1
368 46 46 PHE CA C 54.321 0.000 1
369 46 46 PHE CB C 26.692 0.000 1
370 46 46 PHE N N 125.168 0.000 1
371 47 47 VAL H H 9.333 0.000 1
372 47 47 VAL HA H 4.212 0.000 1
373 47 47 VAL HB H 2.458 0.000 1
374 47 47 VAL HG1 H 1.021 0.000 2
375 47 47 VAL HG2 H 0.898 0.000 2
376 47 47 VAL CA C 59.280 0.000 1
377 47 47 VAL CB C 30.025 0.000 1
378 47 47 VAL CG1 C 20.072 0.000 2
379 47 47 VAL CG2 C 18.902 0.000 2
380 47 47 VAL N N 121.430 0.000 1
381 48 48 HIS H H 8.772 0.000 1
382 48 48 HIS HA H 5.314 0.000 1
383 48 48 HIS HB2 H 2.815 0.000 2
384 48 48 HIS HD2 H 6.536 0.000 1
385 48 48 HIS HE1 H 7.939 0.000 1
386 48 48 HIS CA C 51.979 0.000 1
387 48 48 HIS CB C 25.634 0.000 1
388 48 48 HIS N N 125.243 0.000 1
389 49 49 GLU H H 6.558 0.000 1
390 49 49 GLU HA H 4.763 0.000 1
391 49 49 GLU HB2 H 2.586 0.000 2
392 49 49 GLU HG2 H 2.391 0.000 2
393 49 49 GLU CA C 51.101 0.000 1
394 49 49 GLU CB C 28.269 0.000 1
395 49 49 GLU CG C 32.950 0.000 1
396 49 49 GLU N N 117.070 0.000 1
397 50 50 SER H H 9.589 0.000 1
398 50 50 SER HA H 4.240 0.000 1
399 50 50 SER HB2 H 4.076 0.000 2
400 50 50 SER CA C 55.199 0.000 1
401 50 50 SER CB C 61.932 0.000 1
402 50 50 SER N N 117.468 0.000 1
403 51 51 LEU H H 8.783 0.000 1
404 51 51 LEU HA H 4.088 0.000 1
405 51 51 LEU HB2 H 1.766 0.000 2
406 51 51 LEU HG H 1.599 0.000 1
407 51 51 LEU HD1 H 1.117 0.000 2
408 51 51 LEU HD2 H 0.997 0.000 2
409 51 51 LEU CA C 55.785 0.000 1
410 51 51 LEU CB C 38.514 0.000 1
411 51 51 LEU CG C 24.171 0.000 1
412 51 51 LEU CD1 C 20.072 0.000 2
413 51 51 LEU CD2 C 23.000 0.000 2
414 51 51 LEU N N 124.046 0.000 1
415 52 52 ALA H H 8.462 0.000 1
416 52 52 ALA HA H 3.959 0.000 1
417 52 52 ALA HB H 1.393 0.000 1
418 52 52 ALA CA C 52.858 0.000 1
419 52 52 ALA CB C 15.682 0.000 1
420 52 52 ALA N N 120.494 0.000 1
421 53 53 ASP H H 7.835 0.000 1
422 53 53 ASP HA H 4.372 0.000 1
423 53 53 ASP HB2 H 2.935 0.000 2
424 53 53 ASP CA C 54.907 0.000 1
425 53 53 ASP CB C 37.050 0.000 1
426 53 53 ASP N N 120.265 0.000 1
427 54 54 VAL H H 7.879 0.000 1
428 54 54 VAL HA H 3.703 0.000 1
429 54 54 VAL HB H 2.175 0.000 1
430 54 54 VAL HG1 H 1.080 0.000 2
431 54 54 VAL HG2 H 1.050 0.000 2
432 54 54 VAL CA C 64.274 0.000 1
433 54 54 VAL CB C 29.147 0.000 1
434 54 54 VAL CG1 C 18.609 0.000 2
435 54 54 VAL CG2 C 22.414 0.000 2
436 54 54 VAL N N 121.771 0.000 1
437 55 55 LYS H H 9.000 0.000 1
438 55 55 LYS HA H 3.641 0.000 1
439 55 55 LYS HB2 H 1.841 0.000 1
440 55 55 LYS HG2 H 1.175 0.000 2
441 55 55 LYS HD2 H 1.633 0.000 1
442 55 55 LYS HE2 H 2.801 0.000 2
443 55 55 LYS CA C 57.839 0.000 1
444 55 55 LYS CB C 29.732 0.000 1
445 55 55 LYS CG C 24.463 0.000 1
446 55 55 LYS CD C 27.683 0.000 1
447 55 55 LYS CE C 39.392 0.000 1
448 55 55 LYS N N 119.973 0.000 1
449 56 56 ALA H H 7.534 0.000 1
450 56 56 ALA HA H 4.015 0.000 1
451 56 56 ALA HB H 1.460 0.000 1
452 56 56 ALA CA C 51.394 0.000 1
453 56 56 ALA CB C 14.803 0.000 1
454 56 56 ALA N N 120.213 0.000 1
455 57 57 VAL H H 7.575 0.000 1
456 57 57 VAL HA H 3.203 0.000 1
457 57 57 VAL HB H 2.189 0.000 1
458 57 57 VAL HG1 H 1.117 0.000 2
459 57 57 VAL HG2 H 0.736 0.000 2
460 57 57 VAL CA C 63.396 0.000 1
461 57 57 VAL CB C 28.561 0.000 1
462 57 57 VAL CG1 C 21.829 0.000 2
463 57 57 VAL CG2 C 20.658 0.000 2
464 57 57 VAL N N 121.006 0.000 1
465 58 58 CYS H H 6.809 0.000 1
466 58 58 CYS HA H 3.520 0.000 1
467 58 58 CYS HB2 H 2.683 0.000 2
468 58 58 CYS CA C 51.979 0.000 1
469 58 58 CYS CB C 36.465 0.000 1
470 58 58 CYS N N 113.037 0.000 1
471 59 59 SER H H 7.480 0.000 1
472 59 59 SER HA H 4.569 0.000 1
473 59 59 SER HB2 H 4.019 0.000 2
474 59 59 SER CA C 55.785 0.000 1
475 59 59 SER CB C 61.054 0.000 1
476 59 59 SER N N 113.164 0.000 1
477 60 60 GLN H H 7.702 0.000 1
478 60 60 GLN HA H 4.599 0.000 1
479 60 60 GLN HB2 H 2.332 0.000 2
480 60 60 GLN HG2 H 2.380 0.000 2
481 60 60 GLN HE21 H 7.758 0.000 1
482 60 60 GLN HE22 H 6.907 0.000 1
483 60 60 GLN CA C 52.565 0.000 1
484 60 60 GLN CB C 22.414 0.000 1
485 60 60 GLN CG C 31.781 0.000 1
486 60 60 GLN N N 124.351 0.000 1
487 60 60 GLN NE2 N 114.061 0.000 1
488 61 61 LYS H H 7.540 0.000 1
489 61 61 LYS HA H 4.261 0.000 1
490 61 61 LYS HB2 H 1.936 0.000 2
491 61 61 LYS HG2 H 1.210 0.000 2
492 61 61 LYS HD2 H 1.624 0.000 1
493 61 61 LYS HE2 H 2.866 0.000 1
494 61 61 LYS CA C 54.614 0.000 1
495 61 61 LYS CB C 31.489 0.000 1
496 61 61 LYS CG C 22.121 0.000 1
497 61 61 LYS CD C 27.098 0.000 1
498 61 61 LYS CE C 39.685 0.000 1
499 61 61 LYS N N 122.353 0.000 1
500 62 62 LYS H H 8.408 0.000 1
501 62 62 LYS HA H 4.050 0.000 1
502 62 62 LYS HB2 H 1.634 0.000 2
503 62 62 LYS HG2 H 1.123 0.000 2
504 62 62 LYS HE2 H 2.988 0.000 1
505 62 62 LYS CA C 54.907 0.000 1
506 62 62 LYS CB C 30.318 0.000 1
507 62 62 LYS CG C 22.121 0.000 1
508 62 62 LYS CE C 39.978 0.000 1
509 62 62 LYS N N 129.878 0.000 1
510 63 63 VAL H H 8.317 0.000 1
511 63 63 VAL HA H 4.516 0.000 1
512 63 63 VAL HB H 2.132 0.000 1
513 63 63 VAL HG1 H 0.701 0.000 2
514 63 63 VAL HG2 H 0.405 0.000 2
515 63 63 VAL CA C 56.663 0.000 1
516 63 63 VAL CB C 33.538 0.000 1
517 63 63 VAL CG1 C 19.194 0.000 2
518 63 63 VAL CG2 C 16.852 0.000 2
519 63 63 VAL N N 121.631 0.000 1
520 64 64 THR H H 7.965 0.000 1
521 64 64 THR HA H 4.296 0.000 1
522 64 64 THR HB H 3.876 0.000 1
523 64 64 THR HG2 H 1.276 0.000 1
524 64 64 THR CA C 60.468 0.000 1
525 64 64 THR CB C 67.201 0.000 1
526 64 64 THR CG2 C 18.902 0.000 1
527 64 64 THR N N 116.885 0.000 1
528 65 65 CYS H H 8.790 0.000 1
529 65 65 CYS HA H 4.407 0.000 1
530 65 65 CYS HB2 H 2.969 0.000 2
531 65 65 CYS CA C 51.101 0.000 1
532 65 65 CYS CB C 36.465 0.000 1
533 65 65 CYS N N 124.789 0.000 1
534 66 66 LYS H H 10.959 0.000 1
535 66 66 LYS HA H 3.993 0.000 1
536 66 66 LYS HB2 H 1.923 0.000 2
537 66 66 LYS HG2 H 1.552 0.000 2
538 66 66 LYS HD2 H 1.659 0.000 1
539 66 66 LYS HE2 H 3.009 0.000 1
540 66 66 LYS CA C 56.663 0.000 1
541 66 66 LYS CB C 28.854 0.000 1
542 66 66 LYS CG C 21.829 0.000 1
543 66 66 LYS CD C 26.512 0.000 1
544 66 66 LYS CE C 39.392 0.000 1
545 66 66 LYS N N 128.070 0.000 1
546 67 67 ASP H H 8.021 0.000 1
547 67 67 ASP HA H 4.459 0.000 1
548 67 67 ASP HB2 H 2.591 0.000 2
549 67 67 ASP CA C 50.809 0.000 1
550 67 67 ASP CB C 37.636 0.000 1
551 67 67 ASP N N 117.000 0.000 1
552 68 68 GLY H H 8.029 0.000 1
553 68 68 GLY HA2 H 3.494 0.000 2
554 68 68 GLY CA C 42.612 0.000 1
555 68 68 GLY N N 108.831 0.000 1
556 69 69 GLN H H 8.115 0.000 1
557 69 69 GLN HA H 4.357 0.000 1
558 69 69 GLN HB2 H 2.144 0.000 2
559 69 69 GLN HG2 H 2.140 0.000 2
560 69 69 GLN HE21 H 7.935 0.000 1
561 69 69 GLN CA C 54.264 0.000 1
562 69 69 GLN CB C 27.683 0.000 1
563 69 69 GLN CG C 32.074 0.000 1
564 69 69 GLN N N 120.061 0.000 1
565 69 69 GLN NE2 N 114.334 0.000 1
566 70 70 THR H H 8.553 0.000 1
567 70 70 THR HA H 4.475 0.000 1
568 70 70 THR HB H 4.388 0.000 1
569 70 70 THR HG2 H 1.175 0.000 1
570 70 70 THR CA C 58.712 0.000 1
571 70 70 THR CB C 67.201 0.000 1
572 70 70 THR CG2 C 18.609 0.000 1
573 70 70 THR N N 112.531 0.000 1
574 71 71 ASN H H 8.219 0.000 1
575 71 71 ASN HA H 4.847 0.000 1
576 71 71 ASN HB2 H 2.814 0.000 2
577 71 71 ASN HD21 H 7.401 0.000 1
578 71 71 ASN HD22 H 6.681 0.000 1
579 71 71 ASN CA C 50.516 0.000 1
580 71 71 ASN CB C 35.587 0.000 1
581 71 71 ASN N N 119.619 0.000 1
582 71 71 ASN ND2 N 112.041 0.000 1
583 72 72 CYS H H 7.477 0.000 1
584 72 72 CYS HA H 5.424 0.000 1
585 72 72 CYS HB2 H 2.574 0.000 2
586 72 72 CYS CA C 56.956 0.000 1
587 72 72 CYS CB C 43.198 0.000 1
588 72 72 CYS N N 118.100 0.000 1
589 73 73 TYR H H 8.983 0.000 1
590 73 73 TYR HA H 5.121 0.000 1
591 73 73 TYR HB2 H 2.162 0.000 2
592 73 73 TYR HD1 H 6.690 0.000 3
593 73 73 TYR HD2 H 6.690 0.000 3
594 73 73 TYR HE1 H 6.543 0.000 3
595 73 73 TYR HE2 H 6.543 0.000 3
596 73 73 TYR CA C 55.199 0.000 1
597 73 73 TYR CB C 41.441 0.000 1
598 73 73 TYR N N 119.843 0.000 1
599 74 74 GLN H H 9.477 0.000 1
600 74 74 GLN HA H 5.408 0.000 1
601 74 74 GLN HB2 H 1.882 0.000 2
602 74 74 GLN HG2 H 2.455 0.000 1
603 74 74 GLN HE21 H 6.491 0.000 1
604 74 74 GLN HE22 H 6.406 0.000 1
605 74 74 GLN CA C 49.930 0.000 1
606 74 74 GLN CB C 30.903 0.000 1
607 74 74 GLN CG C 31.489 0.000 1
608 74 74 GLN N N 123.174 0.000 1
609 74 74 GLN NE2 N 109.227 0.000 1
610 75 75 SER H H 9.286 0.000 1
611 75 75 SER HA H 4.679 0.000 1
612 75 75 SER HB2 H 4.798 0.000 1
613 75 75 SER CA C 55.764 0.000 1
614 75 75 SER CB C 62.424 0.000 1
615 75 75 SER N N 122.742 0.000 1
616 76 76 LYS H H 8.938 0.000 1
617 76 76 LYS HA H 4.202 0.000 1
618 76 76 LYS HB2 H 1.873 0.000 1
619 76 76 LYS HG2 H 1.503 0.000 1
620 76 76 LYS HD2 H 1.720 0.000 1
621 76 76 LYS HE2 H 2.981 0.000 1
622 76 76 LYS CA C 56.370 0.000 1
623 76 76 LYS CB C 30.318 0.000 1
624 76 76 LYS CG C 23.000 0.000 1
625 76 76 LYS CD C 27.391 0.000 1
626 76 76 LYS CE C 39.685 0.000 1
627 76 76 LYS N N 127.293 0.000 1
628 77 77 SER H H 8.592 0.000 1
629 77 77 SER HA H 4.888 0.000 1
630 77 77 SER HB2 H 3.756 0.000 2
631 77 77 SER HG H 5.550 0.000 1
632 77 77 SER CA C 53.736 0.000 1
633 77 77 SER CB C 62.810 0.000 1
634 77 77 SER N N 114.297 0.000 1
635 78 78 THR H H 8.134 0.000 1
636 78 78 THR HA H 3.254 0.000 1
637 78 78 THR HB H 3.685 0.000 1
638 78 78 THR HG2 H 0.722 0.000 1
639 78 78 THR CA C 59.883 0.000 1
640 78 78 THR CB C 66.908 0.000 1
641 78 78 THR CG2 C 18.609 0.000 1
642 78 78 THR N N 113.859 0.000 1
643 79 79 MET H H 8.508 0.000 1
644 79 79 MET HA H 4.643 0.000 1
645 79 79 MET HB2 H 1.880 0.000 2
646 79 79 MET HG2 H 2.754 0.000 2
647 79 79 MET CA C 52.858 0.000 1
648 79 79 MET CB C 34.416 0.000 1
649 79 79 MET CG C 32.074 0.000 1
650 79 79 MET N N 121.299 0.000 1
651 80 80 ARG H H 9.508 0.000 1
652 80 80 ARG HA H 4.376 0.000 1
653 80 80 ARG HB2 H 1.869 0.000 1
654 80 80 ARG HG2 H 1.706 0.000 1
655 80 80 ARG HD2 H 3.131 0.000 2
656 80 80 ARG HE H 7.336 0.000 1
657 80 80 ARG CA C 54.907 0.000 1
658 80 80 ARG CB C 27.391 0.000 1
659 80 80 ARG CG C 24.765 0.000 1
660 80 80 ARG CD C 40.856 0.000 1
661 80 80 ARG N N 122.767 0.000 1
662 80 80 ARG NE N 115.526 0.000 1
663 81 81 ILE H H 8.645 0.000 1
664 81 81 ILE HA H 5.284 0.000 1
665 81 81 ILE HB H 1.843 0.000 1
666 81 81 ILE HG12 H 1.255 0.000 2
667 81 81 ILE HG2 H 0.802 0.000 1
668 81 81 ILE HD1 H 0.732 0.000 1
669 81 81 ILE CA C 56.663 0.000 1
670 81 81 ILE CB C 39.978 0.000 1
671 81 81 ILE CG1 C 23.585 0.000 1
672 81 81 ILE CG2 C 15.682 0.000 1
673 81 81 ILE CD1 C 11.876 0.000 1
674 81 81 ILE N N 120.594 0.000 1
675 82 82 THR H H 9.256 0.000 1
676 82 82 THR HA H 5.020 0.000 1
677 82 82 THR HB H 3.928 0.000 1
678 82 82 THR HG2 H 1.232 0.000 1
679 82 82 THR CA C 60.176 0.000 1
680 82 82 THR CB C 68.372 0.000 1
681 82 82 THR CG2 C 18.609 0.000 1
682 82 82 THR N N 119.200 0.000 1
683 83 83 ASP H H 9.241 0.000 1
684 83 83 ASP HA H 5.029 0.000 1
685 83 83 ASP HB2 H 2.482 0.000 2
686 83 83 ASP CA C 51.101 0.000 1
687 83 83 ASP CB C 40.563 0.000 1
688 83 83 ASP N N 127.841 0.000 1
689 84 84 CYS H H 8.808 0.000 1
690 84 84 CYS HA H 5.940 0.000 1
691 84 84 CYS HB2 H 2.542 0.000 2
692 84 84 CYS CA C 49.345 0.000 1
693 84 84 CYS CB C 36.465 0.000 1
694 84 84 CYS N N 122.123 0.000 1
695 85 85 ARG H H 8.204 0.000 1
696 85 85 ARG HA H 5.412 0.000 1
697 85 85 ARG HB2 H 1.994 0.000 2
698 85 85 ARG HG2 H 1.700 0.000 2
699 85 85 ARG HD2 H 3.261 0.000 2
700 85 85 ARG HE H 7.790 0.000 1
701 85 85 ARG CA C 52.272 0.000 1
702 85 85 ARG CB C 30.903 0.000 1
703 85 85 ARG CG C 24.756 0.000 1
704 85 85 ARG CD C 40.856 0.000 1
705 85 85 ARG N N 122.200 0.000 1
706 85 85 ARG NE N 115.659 0.000 1
707 86 86 GLU H H 8.762 0.000 1
708 86 86 GLU HA H 4.288 0.000 1
709 86 86 GLU HB2 H 2.058 0.000 2
710 86 86 GLU CA C 55.199 0.000 1
711 86 86 GLU CB C 29.732 0.000 1
712 86 86 GLU N N 128.674 0.000 1
713 87 87 THR H H 8.118 0.000 1
714 87 87 THR HA H 4.507 0.000 1
715 87 87 THR HB H 4.542 0.000 1
716 87 87 THR HG2 H 1.093 0.000 1
717 87 87 THR CA C 58.127 0.000 1
718 87 87 THR CB C 68.665 0.000 1
719 87 87 THR CG2 C 19.194 0.000 1
720 87 87 THR N N 115.660 0.000 1
721 88 88 GLY H H 8.774 0.000 1
722 88 88 GLY HA2 H 3.963 0.000 2
723 88 88 GLY CA C 43.490 0.000 1
724 88 88 GLY N N 107.768 0.000 1
725 89 89 SER H H 7.597 0.000 1
726 89 89 SER HA H 4.503 0.000 1
727 89 89 SER HB2 H 3.772 0.000 2
728 89 89 SER CA C 55.199 0.000 1
729 89 89 SER CB C 61.054 0.000 1
730 89 89 SER N N 112.931 0.000 1
731 90 90 SER H H 6.989 0.000 1
732 90 90 SER HA H 3.943 0.000 1
733 90 90 SER HB2 H 3.852 0.000 2
734 90 90 SER CA C 56.370 0.000 1
735 90 90 SER CB C 60.468 0.000 1
736 90 90 SER N N 118.245 0.000 1
737 91 91 LYS H H 7.527 0.000 1
738 91 91 LYS HA H 4.431 0.000 1
739 91 91 LYS HB2 H 1.717 0.000 1
740 91 91 LYS HG2 H 1.367 0.000 1
741 91 91 LYS HE2 H 3.035 0.000 1
742 91 91 LYS CA C 53.443 0.000 1
743 91 91 LYS CB C 31.489 0.000 1
744 91 91 LYS CG C 21.536 0.000 1
745 91 91 LYS CE C 40.270 0.000 1
746 91 91 LYS N N 129.777 0.000 1
747 92 92 TYR H H 9.290 0.000 1
748 92 92 TYR HA H 3.718 0.000 1
749 92 92 TYR HB2 H 3.407 0.000 2
750 92 92 TYR HD1 H 6.896 0.000 3
751 92 92 TYR HD2 H 6.896 0.000 3
752 92 92 TYR HE1 H 6.957 0.000 3
753 92 92 TYR HE2 H 6.957 0.000 3
754 92 92 TYR CA C 56.078 0.000 1
755 92 92 TYR CB C 35.880 0.000 1
756 92 92 TYR N N 131.912 0.000 1
757 93 93 PRO HA H 3.028 0.000 1
758 93 93 PRO HB2 H 1.187 0.000 2
759 93 93 PRO HG2 H 1.728 0.000 2
760 93 93 PRO HD2 H 3.362 0.000 2
761 93 93 PRO CA C 61.347 0.000 1
762 93 93 PRO CB C 31.196 0.000 1
763 93 93 PRO CG C 21.536 0.000 1
764 93 93 PRO CD C 47.296 0.000 1
765 94 94 ASN H H 8.823 0.000 1
766 94 94 ASN HA H 4.943 0.000 1
767 94 94 ASN HB2 H 2.711 0.000 1
768 94 94 ASN HD21 H 7.678 0.000 1
769 94 94 ASN HD22 H 6.920 0.000 1
770 94 94 ASN CA C 49.630 0.000 1
771 94 94 ASN CB C 35.001 0.000 1
772 94 94 ASN N N 130.934 0.000 1
773 94 94 ASN ND2 N 114.711 0.000 1
774 95 95 CYS H H 7.687 0.000 1
775 95 95 CYS HA H 4.840 0.000 1
776 95 95 CYS HB2 H 2.836 0.000 2
777 95 95 CYS CA C 50.516 0.000 1
778 95 95 CYS CB C 35.880 0.000 1
779 95 95 CYS N N 122.402 0.000 1
780 96 96 ALA H H 8.634 0.000 1
781 96 96 ALA HA H 4.746 0.000 1
782 96 96 ALA HB H 1.176 0.000 1
783 96 96 ALA CA C 49.052 0.000 1
784 96 96 ALA CB C 19.194 0.000 1
785 96 96 ALA N N 129.346 0.000 1
786 97 97 TYR H H 9.368 0.000 1
787 97 97 TYR HA H 4.904 0.000 1
788 97 97 TYR HB2 H 2.509 0.000 2
789 97 97 TYR HD1 H 6.432 0.000 3
790 97 97 TYR HD2 H 6.432 0.000 3
791 97 97 TYR HE1 H 6.957 0.000 3
792 97 97 TYR HE2 H 6.957 0.000 3
793 97 97 TYR CA C 55.785 0.000 1
794 97 97 TYR CB C 41.441 0.000 1
795 97 97 TYR N N 118.353 0.000 1
796 98 98 LYS H H 9.427 0.000 1
797 98 98 LYS HA H 4.743 0.000 1
798 98 98 LYS HB2 H 1.908 0.000 2
799 98 98 LYS HG2 H 1.398 0.000 2
800 98 98 LYS HE2 H 3.194 0.000 2
801 98 98 LYS CA C 52.565 0.000 1
802 98 98 LYS CB C 31.489 0.000 1
803 98 98 LYS CG C 22.414 0.000 1
804 98 98 LYS CE C 39.685 0.000 1
805 98 98 LYS N N 125.559 0.000 1
806 99 99 THR H H 9.055 0.000 1
807 99 99 THR HA H 5.243 0.000 1
808 99 99 THR HB H 4.251 0.000 1
809 99 99 THR HG2 H 1.326 0.000 1
810 99 99 THR CA C 60.176 0.000 1
811 99 99 THR CB C 68.665 0.000 1
812 99 99 THR CG2 C 18.902 0.000 1
813 99 99 THR N N 126.667 0.000 1
814 100 100 THR H H 8.855 0.000 1
815 100 100 THR HA H 4.637 0.000 1
816 100 100 THR HB H 4.104 0.000 1
817 100 100 THR HG2 H 1.236 0.000 1
818 100 100 THR CA C 59.883 0.000 1
819 100 100 THR CB C 68.372 0.000 1
820 100 100 THR CG2 C 18.609 0.000 1
821 100 100 THR N N 124.517 0.000 1
822 101 101 GLN H H 8.823 0.000 1
823 101 101 GLN HA H 5.180 0.000 1
824 101 101 GLN HB2 H 2.094 0.000 2
825 101 101 GLN HG2 H 2.320 0.000 2
826 101 101 GLN HE21 H 7.211 0.000 1
827 101 101 GLN HE22 H 6.985 0.000 1
828 101 101 GLN CA C 53.150 0.000 1
829 101 101 GLN CB C 27.098 0.000 1
830 101 101 GLN CG C 31.781 0.000 1
831 101 101 GLN N N 128.586 0.000 1
832 101 101 GLN NE2 N 111.790 0.000 1
833 102 102 VAL H H 8.643 0.000 1
834 102 102 VAL HA H 4.639 0.000 1
835 102 102 VAL HB H 2.068 0.000 1
836 102 102 VAL HG1 H 0.820 0.000 2
837 102 102 VAL HG2 H 0.808 0.000 2
838 102 102 VAL CA C 57.834 0.000 1
839 102 102 VAL CB C 34.123 0.000 1
840 102 102 VAL CG1 C 19.780 0.000 2
841 102 102 VAL CG2 C 16.852 0.000 2
842 102 102 VAL N N 121.495 0.000 1
843 103 103 GLU H H 8.068 0.000 1
844 103 103 GLU HA H 5.400 0.000 1
845 103 103 GLU HB2 H 1.694 0.000 2
846 103 103 GLU HG2 H 2.001 0.000 2
847 103 103 GLU CA C 52.565 0.000 1
848 103 103 GLU CB C 28.269 0.000 1
849 103 103 GLU CG C 34.709 0.000 1
850 103 103 GLU N N 122.031 0.000 1
851 104 104 LYS H H 8.336 0.000 1
852 104 104 LYS HA H 4.795 0.000 1
853 104 104 LYS HB2 H 2.284 0.000 2
854 104 104 LYS HG2 H 1.588 0.000 1
855 104 104 LYS HE2 H 2.849 0.000 1
856 104 104 LYS CA C 51.979 0.000 1
857 104 104 LYS CB C 37.050 0.000 1
858 104 104 LYS CG C 27.098 0.000 1
859 104 104 LYS CE C 39.685 0.000 1
860 104 104 LYS N N 122.283 0.000 1
861 105 105 HIS H H 9.202 0.000 1
862 105 105 HIS HA H 4.407 0.000 1
863 105 105 HIS HB2 H 3.220 0.000 2
864 105 105 HIS HD2 H 7.340 0.000 1
865 105 105 HIS HE1 H 8.454 0.000 1
866 105 105 HIS CA C 54.321 0.000 1
867 105 105 HIS CB C 25.341 0.000 1
868 105 105 HIS N N 119.366 0.000 1
869 106 106 ILE H H 8.447 0.000 1
870 106 106 ILE HA H 4.997 0.000 1
871 106 106 ILE HB H 1.785 0.000 1
872 106 106 ILE HG12 H 1.562 0.000 2
873 106 106 ILE HG2 H 1.023 0.000 1
874 106 106 ILE HD1 H 1.023 0.000 1
875 106 106 ILE CA C 57.541 0.000 1
876 106 106 ILE CB C 38.807 0.000 1
877 106 106 ILE CG1 C 22.707 0.000 1
878 106 106 ILE CG2 C 15.389 0.000 1
879 106 106 ILE CD1 C 13.340 0.000 1
880 106 106 ILE N N 114.175 0.000 1
881 107 107 ILE H H 8.314 0.000 1
882 107 107 ILE HA H 5.296 0.000 1
883 107 107 ILE HB H 1.470 0.000 1
884 107 107 ILE HG12 H 1.341 0.000 1
885 107 107 ILE HG2 H 0.633 0.000 1
886 107 107 ILE HD1 H 0.735 0.000 1
887 107 107 ILE CA C 57.541 0.000 1
888 107 107 ILE CB C 36.758 0.000 1
889 107 107 ILE CG1 C 25.630 0.000 1
890 107 107 ILE CG2 C 16.852 0.000 1
891 107 107 ILE CD1 C 12.169 0.000 1
892 107 107 ILE N N 122.400 0.000 1
893 108 108 VAL H H 8.907 0.000 1
894 108 108 VAL HA H 4.888 0.000 1
895 108 108 VAL HB H 2.153 0.000 1
896 108 108 VAL HG1 H 0.775 0.000 2
897 108 108 VAL HG2 H 0.643 0.000 2
898 108 108 VAL CA C 55.199 0.000 1
899 108 108 VAL CB C 32.074 0.000 1
900 108 108 VAL CG1 C 20.072 0.000 2
901 108 108 VAL CG2 C 14.803 0.000 2
902 108 108 VAL N N 118.187 0.000 1
903 109 109 ALA H H 8.706 0.000 1
904 109 109 ALA HA H 5.296 0.000 1
905 109 109 ALA HB H 1.463 0.000 1
906 109 109 ALA CA C 48.174 0.000 1
907 109 109 ALA CB C 19.194 0.000 1
908 109 109 ALA N N 122.660 0.000 1
909 110 110 CYS H H 8.797 0.000 1
910 110 110 CYS HA H 5.680 0.000 1
911 110 110 CYS HB2 H 2.757 0.000 2
912 110 110 CYS CA C 53.443 0.000 1
913 110 110 CYS CB C 47.003 0.000 1
914 110 110 CYS N N 120.404 0.000 1
915 111 111 GLY H H 9.107 0.000 1
916 111 111 GLY HA2 H 3.914 0.000 2
917 111 111 GLY CA C 42.905 0.000 1
918 111 111 GLY N N 111.123 0.000 1
919 112 112 GLY H H 8.206 0.000 1
920 112 112 GLY HA2 H 3.677 0.000 2
921 112 112 GLY CA C 40.856 0.000 1
922 112 112 GLY N N 107.554 0.000 1
923 113 113 LYS H H 7.774 0.000 1
924 113 113 LYS HA H 4.384 0.000 1
925 113 113 LYS HB2 H 1.630 0.000 2
926 113 113 LYS HG2 H 1.207 0.000 2
927 113 113 LYS HE2 H 2.955 0.000 1
928 113 113 LYS CA C 51.100 0.000 1
929 113 113 LYS CB C 32.367 0.000 1
930 113 113 LYS CG C 21.536 0.000 1
931 113 113 LYS CE C 39.392 0.000 1
932 113 113 LYS N N 118.578 0.000 1
933 114 114 PRO HA H 4.615 0.000 1
934 114 114 PRO HB2 H 2.337 0.000 2
935 114 114 PRO HG2 H 1.759 0.000 2
936 114 114 PRO HD2 H 3.561 0.000 2
937 114 114 PRO CA C 60.448 0.000 1
938 114 114 PRO CB C 31.781 0.000 1
939 114 114 PRO CG C 22.707 0.000 1
940 114 114 PRO CD C 47.589 0.000 1
941 115 115 SER H H 8.201 0.000 1
942 115 115 SER HA H 3.954 0.000 1
943 115 115 SER HB2 H 3.598 0.000 2
944 115 115 SER CA C 56.078 0.000 1
945 115 115 SER CB C 60.761 0.000 1
946 115 115 SER N N 116.201 0.000 1
947 116 116 VAL H H 8.511 0.000 1
948 116 116 VAL HA H 4.858 0.000 1
949 116 116 VAL HB H 2.100 0.000 1
950 116 116 VAL HG1 H 0.839 0.000 1
951 116 116 VAL HG2 H 0.839 0.000 1
952 116 116 VAL CA C 56.078 0.000 1
953 116 116 VAL CB C 31.196 0.000 1
954 116 116 VAL CG1 C 19.194 0.000 2
955 116 116 VAL CG2 C 15.682 0.000 2
956 116 116 VAL N N 120.540 0.000 1
957 117 117 PRO HA H 4.508 0.000 1
958 117 117 PRO HB2 H 0.957 0.000 2
959 117 117 PRO HG2 H 1.525 0.000 1
960 117 117 PRO HD2 H 3.621 0.000 2
961 117 117 PRO CA C 60.468 0.000 1
962 117 117 PRO CB C 27.391 0.000 1
963 117 117 PRO CG C 25.634 0.000 1
964 117 117 PRO CD C 48.174 0.000 1
965 118 118 VAL H H 8.927 0.000 1
966 118 118 VAL HA H 4.532 0.000 1
967 118 118 VAL HB H 2.310 0.000 1
968 118 118 VAL HG1 H 0.788 0.000 2
969 118 118 VAL HG2 H 0.603 0.000 2
970 118 118 VAL CA C 58.419 0.000 1
971 118 118 VAL CB C 31.781 0.000 1
972 118 118 VAL CG1 C 18.609 0.000 2
973 118 118 VAL CG2 C 14.511 0.000 2
974 118 118 VAL N N 111.972 0.000 1
975 119 119 HIS H H 7.616 0.000 1
976 119 119 HIS HA H 5.324 0.000 1
977 119 119 HIS HB2 H 3.570 0.000 2
978 119 119 HIS CA C 53.443 0.000 1
979 119 119 HIS CB C 30.025 0.000 1
980 119 119 HIS N N 121.264 0.000 1
981 120 120 PHE HA H 4.283 0.000 1
982 120 120 PHE HB2 H 2.600 0.000 2
983 120 120 PHE HD1 H 6.609 0.000 3
984 120 120 PHE HD2 H 6.609 0.000 3
985 120 120 PHE HE1 H 6.958 0.000 3
986 120 120 PHE HE2 H 6.958 0.000 3
987 120 120 PHE HZ H 6.583 0.000 1
988 120 120 PHE CA C 55.785 0.000 1
989 120 120 PHE CB C 36.172 0.000 1
990 121 121 ASP H H 8.644 0.000 1
991 121 121 ASP HA H 4.668 0.000 1
992 121 121 ASP HB2 H 2.285 0.000 2
993 121 121 ASP CA C 54.614 0.000 1
994 121 121 ASP CB C 44.076 0.000 1
995 121 121 ASP N N 131.399 0.000 1
996 122 122 ALA H H 7.419 0.000 1
997 122 122 ALA HA H 4.491 0.000 1
998 122 122 ALA HB H 1.350 0.000 1
999 122 122 ALA CA C 49.345 0.000 1
1000 122 122 ALA CB C 19.194 0.000 1
1001 122 122 ALA N N 116.961 0.000 1
1002 123 123 SER H H 8.092 0.000 1
1003 123 123 SER HA H 5.325 0.000 1
1004 123 123 SER HB2 H 3.782 0.000 2
1005 123 123 SER HG H 3.857 0.000 1
1006 123 123 SER CA C 54.321 0.000 1
1007 123 123 SER CB C 63.981 0.000 1
1008 123 123 SER N N 112.579 0.000 1
1009 124 124 VAL H H 8.680 0.000 1
1010 124 124 VAL HA H 4.313 0.000 1
1011 124 124 VAL HB H 1.996 0.000 1
1012 124 124 VAL HG1 H 0.787 0.000 2
1013 124 124 VAL HG2 H 0.762 0.000 2
1014 124 124 VAL CA C 60.761 0.000 1
1015 124 124 VAL CB C 32.660 0.000 1
1016 124 124 VAL CG1 C 18.023 0.000 1
1017 124 124 VAL CG2 C 18.023 0.000 1
1018 124 124 VAL N N 124.469 0.000 1
stop_
save_