data_34015
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Myristoylated T41I/T78I mutant of M-PMV matrix protein
;
_BMRB_accession_number 34015
_BMRB_flat_file_name bmr34015.str
_Entry_type original
_Submission_date 2016-06-27
_Accession_date 2016-06-27
_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 Kroupa T. . .
2 Hrabal R. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 577
"13C chemical shifts" 374
"15N chemical shifts" 100
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-02-21 update BMRB 'update entry citation'
2016-07-21 original author 'original release'
stop_
_Original_release_date 2016-07-21
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Membrane interaction of the Mason-Pfizer monkey virus matrix protein and its budding deficient mutants
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27725181
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Kroupa Tomas . .
2 Langerova Hana . .
3 Dolezal Michal . .
4 Prchal Jan . .
5 Spiwok Vojtech . .
6 Hunter Eric . .
7 Rumlova Michaela . .
8 Hrabal Richard . .
9 Ruml Tomas . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_name_full 'Journal of molecular biology'
_Journal_volume 428
_Journal_issue 23
_Journal_ISSN 1089-8638
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 4708
_Page_last 4722
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'myristoylated M-PMV matrix protein mutant'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
entity_MYR $entity_MYR
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_1
_Molecular_mass 14737.740
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 124
_Mol_residue_sequence
;
GQELSQHERYVEQLKQALKT
RGVKVKYADLLKFFDFVKDI
CPWFPQEGTIDIKRWRRVGD
CFQDYYNTFGPEKVPVIAFS
YWNLIKELIDKKEVNPQVMA
AVAQTEEILKSNSQTDLEHH
HHHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 2 GLY 2 3 GLN 3 4 GLU 4 5 LEU 5 6 SER
6 7 GLN 7 8 HIS 8 9 GLU 9 10 ARG 10 11 TYR
11 12 VAL 12 13 GLU 13 14 GLN 14 15 LEU 15 16 LYS
16 17 GLN 17 18 ALA 18 19 LEU 19 20 LYS 20 21 THR
21 22 ARG 22 23 GLY 23 24 VAL 24 25 LYS 25 26 VAL
26 27 LYS 27 28 TYR 28 29 ALA 29 30 ASP 30 31 LEU
31 32 LEU 32 33 LYS 33 34 PHE 34 35 PHE 35 36 ASP
36 37 PHE 37 38 VAL 38 39 LYS 39 40 ASP 40 41 ILE
41 42 CYS 42 43 PRO 43 44 TRP 44 45 PHE 45 46 PRO
46 47 GLN 47 48 GLU 48 49 GLY 49 50 THR 50 51 ILE
51 52 ASP 52 53 ILE 53 54 LYS 54 55 ARG 55 56 TRP
56 57 ARG 57 58 ARG 58 59 VAL 59 60 GLY 60 61 ASP
61 62 CYS 62 63 PHE 63 64 GLN 64 65 ASP 65 66 TYR
66 67 TYR 67 68 ASN 68 69 THR 69 70 PHE 70 71 GLY
71 72 PRO 72 73 GLU 73 74 LYS 74 75 VAL 75 76 PRO
76 77 VAL 77 78 ILE 78 79 ALA 79 80 PHE 80 81 SER
81 82 TYR 82 83 TRP 83 84 ASN 84 85 LEU 85 86 ILE
86 87 LYS 87 88 GLU 88 89 LEU 89 90 ILE 90 91 ASP
91 92 LYS 92 93 LYS 93 94 GLU 94 95 VAL 95 96 ASN
96 97 PRO 97 98 GLN 98 99 VAL 99 100 MET 100 101 ALA
101 102 ALA 102 103 VAL 103 104 ALA 104 105 GLN 105 106 THR
106 107 GLU 107 108 GLU 108 109 ILE 109 110 LEU 110 111 LYS
111 112 SER 112 113 ASN 113 114 SER 114 115 GLN 115 116 THR
116 117 ASP 117 118 LEU 118 119 GLU 119 120 HIS 120 121 HIS
121 122 HIS 122 123 HIS 123 124 HIS 124 125 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#############
# Ligands #
#############
save_MYR
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common "entity_MYR (MYRISTIC ACID)"
_BMRB_code MYR
_PDB_code MYR
_Molecular_mass 228.371
_Mol_charge 0
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
C1 C1 C . 0 . ?
O1 O1 O . 0 . ?
O2 O2 O . 0 . ?
C2 C2 C . 0 . ?
C3 C3 C . 0 . ?
C4 C4 C . 0 . ?
C5 C5 C . 0 . ?
C6 C6 C . 0 . ?
C7 C7 C . 0 . ?
C8 C8 C . 0 . ?
C9 C9 C . 0 . ?
C10 C10 C . 0 . ?
C11 C11 C . 0 . ?
C12 C12 C . 0 . ?
C13 C13 C . 0 . ?
C14 C14 C . 0 . ?
HO2 HO2 H . 0 . ?
H21 H21 H . 0 . ?
H22 H22 H . 0 . ?
H31 H31 H . 0 . ?
H32 H32 H . 0 . ?
H41 H41 H . 0 . ?
H42 H42 H . 0 . ?
H51 H51 H . 0 . ?
H52 H52 H . 0 . ?
H61 H61 H . 0 . ?
H62 H62 H . 0 . ?
H71 H71 H . 0 . ?
H72 H72 H . 0 . ?
H81 H81 H . 0 . ?
H82 H82 H . 0 . ?
H91 H91 H . 0 . ?
H92 H92 H . 0 . ?
H101 H101 H . 0 . ?
H102 H102 H . 0 . ?
H111 H111 H . 0 . ?
H112 H112 H . 0 . ?
H121 H121 H . 0 . ?
H122 H122 H . 0 . ?
H131 H131 H . 0 . ?
H132 H132 H . 0 . ?
H141 H141 H . 0 . ?
H142 H142 H . 0 . ?
H143 H143 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
DOUB C1 O1 ? ?
SING C1 O2 ? ?
SING C1 C2 ? ?
SING O2 HO2 ? ?
SING C2 C3 ? ?
SING C2 H21 ? ?
SING C2 H22 ? ?
SING C3 C4 ? ?
SING C3 H31 ? ?
SING C3 H32 ? ?
SING C4 C5 ? ?
SING C4 H41 ? ?
SING C4 H42 ? ?
SING C5 C6 ? ?
SING C5 H51 ? ?
SING C5 H52 ? ?
SING C6 C7 ? ?
SING C6 H61 ? ?
SING C6 H62 ? ?
SING C7 C8 ? ?
SING C7 H71 ? ?
SING C7 H72 ? ?
SING C8 C9 ? ?
SING C8 H81 ? ?
SING C8 H82 ? ?
SING C9 C10 ? ?
SING C9 H91 ? ?
SING C9 H92 ? ?
SING C10 C11 ? ?
SING C10 H101 ? ?
SING C10 H102 ? ?
SING C11 C12 ? ?
SING C11 H111 ? ?
SING C11 H112 ? ?
SING C12 C13 ? ?
SING C12 H121 ? ?
SING C12 H122 ? ?
SING C13 C14 ? ?
SING C13 H131 ? ?
SING C13 H132 ? ?
SING C14 H141 ? ?
SING C14 H142 ? ?
SING C14 H143 ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$entity_1 MPMV 11855 Viruses . Betaretrovirus MPMV gag
$entity_MYR MPMV 11855 Viruses . Betaretrovirus MPMV .
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'recombinant technology' . . . . .
$entity_MYR 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '1 mM [U-13C; U-15N] myristoylated retroviral matrix protein, 100 mM phosphate, 300 mM sodium choride, 5 mM DTT, 90% H2O/10% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
DTT 5 mM none
$entity_1 1 mM '[U-13C; U-15N]'
phosphate 100 mM none
'sodium choride' 300 mM none
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type 'filamentous virus'
_Details
;
400 mM [U-15N] myristoylated retroviral matrix protein, 50 mM phosphate, 150 mM sodium choride, 5 mM DTT, 10 mg/mL Pf1 phage, 90% H2O/10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
DTT 5 mM none
'Pf1 phage' 10 mg/mL none
$entity_1 400 mM [U-15N]
phosphate 50 mM none
'sodium choride' 150 mM none
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name CcpNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'peak picking'
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'structure calculation'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AvanceIII
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_CBCA(CO)NH_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_2D_1H-15N_HSQC_IPAP_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC IPAP'
_Sample_label $sample_2
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_HNCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 600 . mM
pH 6 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_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
_Correction_value
DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 -2.723
DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 -0.056
DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 -0.079
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_chemical_shifts_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_2
stop_
loop_
_Experiment_label
'3D HCCH-TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name entity_1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 2 1 GLY HA2 H 3.707 0.003 1
2 2 1 GLY HA3 H 3.707 0.003 1
3 2 1 GLY CA C 48.510 0.030 1
4 3 2 GLN H H 9.398 0.010 1
5 3 2 GLN HA H 3.888 0.025 1
6 3 2 GLN HB2 H 1.926 0.016 2
7 3 2 GLN HB3 H 1.785 0.025 2
8 3 2 GLN CA C 58.742 0.248 1
9 3 2 GLN CB C 28.383 0.405 1
10 3 2 GLN CG C 33.613 0.030 1
11 3 2 GLN N N 122.360 0.065 1
12 4 3 GLU H H 7.464 0.025 1
13 4 3 GLU HA H 4.674 0.031 1
14 4 3 GLU HB2 H 2.713 0.003 1
15 4 3 GLU HB3 H 2.713 0.003 1
16 4 3 GLU CA C 57.807 1.853 1
17 4 3 GLU CB C 28.700 0.133 1
18 4 3 GLU N N 119.689 0.047 1
19 5 4 LEU H H 8.206 0.021 1
20 5 4 LEU HA H 3.701 0.014 1
21 5 4 LEU HB2 H 1.430 0.061 2
22 5 4 LEU HB3 H 1.338 0.018 2
23 5 4 LEU HG H 0.989 0.010 1
24 5 4 LEU HD1 H 0.824 0.040 1
25 5 4 LEU HD2 H 0.824 0.040 1
26 5 4 LEU CA C 57.738 0.261 1
27 5 4 LEU CB C 40.815 0.099 1
28 5 4 LEU CG C 25.109 0.251 1
29 5 4 LEU CD1 C 22.333 0.030 1
30 5 4 LEU CD2 C 22.333 0.030 1
31 5 4 LEU N N 114.872 0.044 1
32 6 5 SER H H 8.253 0.015 1
33 6 5 SER HA H 4.092 0.007 1
34 6 5 SER HB2 H 3.884 0.009 2
35 6 5 SER HB3 H 3.872 0.003 2
36 6 5 SER CA C 60.415 0.270 1
37 6 5 SER CB C 63.391 0.154 1
38 6 5 SER N N 109.762 0.048 1
39 7 6 GLN H H 8.673 0.027 1
40 7 6 GLN HA H 3.955 0.007 1
41 7 6 GLN HB2 H 2.048 0.006 1
42 7 6 GLN HB3 H 2.048 0.006 1
43 7 6 GLN CA C 58.425 0.014 1
44 7 6 GLN CB C 28.739 0.325 1
45 7 6 GLN CG C 36.006 0.030 1
46 7 6 GLN N N 117.498 0.039 1
47 8 7 HIS HA H 3.797 0.020 1
48 8 7 HIS HB2 H 1.925 0.003 1
49 8 7 HIS HB3 H 1.925 0.003 1
50 8 7 HIS CA C 59.055 0.030 1
51 8 7 HIS CB C 29.109 0.030 1
52 9 8 GLU H H 7.690 0.013 1
53 9 8 GLU HA H 3.959 0.025 1
54 9 8 GLU HB2 H 1.967 0.014 2
55 9 8 GLU HB3 H 2.043 0.018 2
56 9 8 GLU HG2 H 2.305 0.027 1
57 9 8 GLU HG3 H 2.305 0.027 1
58 9 8 GLU CA C 60.258 0.247 1
59 9 8 GLU CB C 29.227 0.274 1
60 9 8 GLU CG C 36.057 0.045 1
61 9 8 GLU N N 120.354 0.039 1
62 10 9 ARG H H 8.928 0.012 1
63 10 9 ARG HA H 4.099 0.018 1
64 10 9 ARG HB2 H 1.876 0.030 1
65 10 9 ARG HB3 H 1.876 0.030 1
66 10 9 ARG HG2 H 1.601 0.029 1
67 10 9 ARG HG3 H 1.601 0.029 1
68 10 9 ARG CA C 58.221 0.276 1
69 10 9 ARG CB C 29.095 0.008 1
70 10 9 ARG CG C 27.609 0.030 1
71 10 9 ARG CD C 41.999 0.030 1
72 10 9 ARG N N 118.753 0.068 1
73 11 10 TYR H H 7.562 0.027 1
74 11 10 TYR HA H 4.189 0.025 1
75 11 10 TYR HB2 H 3.279 0.047 2
76 11 10 TYR HB3 H 3.011 0.015 2
77 11 10 TYR CA C 61.236 0.302 1
78 11 10 TYR CB C 37.861 0.282 1
79 11 10 TYR N N 121.288 0.103 1
80 12 11 VAL H H 8.075 0.048 1
81 12 11 VAL HA H 3.083 0.018 1
82 12 11 VAL HB H 2.064 0.021 1
83 12 11 VAL HG1 H 0.601 0.012 2
84 12 11 VAL HG2 H 1.118 0.024 2
85 12 11 VAL CA C 66.835 0.240 1
86 12 11 VAL CB C 31.099 0.252 1
87 12 11 VAL CG1 C 23.574 0.099 2
88 12 11 VAL CG2 C 21.025 0.264 2
89 12 11 VAL N N 119.304 0.118 1
90 13 12 GLU H H 8.278 0.012 1
91 13 12 GLU HA H 4.155 0.031 1
92 13 12 GLU HB2 H 2.020 0.003 1
93 13 12 GLU HB3 H 2.020 0.003 1
94 13 12 GLU CA C 59.425 0.197 1
95 13 12 GLU CB C 29.188 0.124 1
96 13 12 GLU N N 119.685 0.026 1
97 14 13 GLN H H 7.653 0.012 1
98 14 13 GLN HA H 3.656 0.017 1
99 14 13 GLN HB2 H 1.887 0.025 2
100 14 13 GLN HB3 H 2.188 0.017 2
101 14 13 GLN HG2 H 2.551 0.009 2
102 14 13 GLN HG3 H 2.529 0.005 2
103 14 13 GLN CA C 59.969 0.268 1
104 14 13 GLN CB C 29.673 0.254 1
105 14 13 GLN CG C 36.883 0.285 1
106 14 13 GLN N N 119.682 0.063 1
107 15 14 LEU H H 8.402 0.022 1
108 15 14 LEU HA H 3.921 0.024 1
109 15 14 LEU HB2 H 1.715 0.029 2
110 15 14 LEU HB3 H 1.817 0.010 2
111 15 14 LEU HG H 1.804 0.003 1
112 15 14 LEU HD1 H 0.327 0.018 2
113 15 14 LEU HD2 H 0.773 0.050 2
114 15 14 LEU CA C 58.455 0.030 1
115 15 14 LEU CB C 40.760 0.030 1
116 15 14 LEU CG C 25.500 0.548 1
117 15 14 LEU CD1 C 21.885 0.235 1
118 15 14 LEU CD2 C 21.885 0.235 1
119 15 14 LEU N N 121.000 0.005 1
120 16 15 LYS HA H 3.696 0.028 1
121 16 15 LYS HB2 H 1.770 0.020 1
122 16 15 LYS HB3 H 1.770 0.020 1
123 16 15 LYS HG2 H 1.314 0.027 1
124 16 15 LYS HG3 H 1.314 0.027 1
125 16 15 LYS HD2 H 1.664 0.021 1
126 16 15 LYS HD3 H 1.664 0.021 1
127 16 15 LYS HE2 H 2.892 0.053 1
128 16 15 LYS HE3 H 2.892 0.053 1
129 16 15 LYS CA C 60.258 0.258 1
130 16 15 LYS CB C 32.135 0.221 1
131 16 15 LYS CG C 25.103 0.250 1
132 16 15 LYS CD C 29.206 0.284 1
133 16 15 LYS CE C 41.199 0.139 1
134 17 16 GLN H H 7.849 0.012 1
135 17 16 GLN HA H 3.887 0.048 1
136 17 16 GLN HB2 H 2.067 0.056 1
137 17 16 GLN HB3 H 2.067 0.056 1
138 17 16 GLN HG2 H 2.397 0.011 2
139 17 16 GLN HG3 H 2.193 0.025 2
140 17 16 GLN CA C 58.442 0.050 1
141 17 16 GLN CB C 28.045 0.146 1
142 17 16 GLN CG C 33.315 0.252 1
143 17 16 GLN N N 117.558 0.092 1
144 18 17 ALA H H 8.504 0.013 1
145 18 17 ALA HA H 3.788 0.012 1
146 18 17 ALA HB H 1.324 0.018 1
147 18 17 ALA CA C 54.893 0.269 1
148 18 17 ALA CB C 17.396 0.240 1
149 18 17 ALA N N 120.288 0.018 1
150 19 18 LEU H H 8.143 0.017 1
151 19 18 LEU HA H 3.759 0.030 1
152 19 18 LEU HB2 H 1.413 0.031 1
153 19 18 LEU HB3 H 1.413 0.031 1
154 19 18 LEU HD1 H 0.605 0.016 1
155 19 18 LEU HD2 H 0.605 0.016 1
156 19 18 LEU CA C 57.552 0.288 1
157 19 18 LEU CB C 40.693 0.025 1
158 19 18 LEU CG C 25.214 0.003 1
159 19 18 LEU CD1 C 22.080 0.235 2
160 19 18 LEU CD2 C 19.890 0.030 2
161 19 18 LEU N N 116.974 0.098 1
162 20 19 LYS H H 8.340 0.015 1
163 20 19 LYS HA H 3.955 0.003 1
164 20 19 LYS HB2 H 1.986 0.003 1
165 20 19 LYS HB3 H 1.986 0.003 1
166 20 19 LYS CA C 59.544 0.963 1
167 20 19 LYS CB C 30.486 1.669 1
168 20 19 LYS N N 117.776 0.062 1
169 21 20 THR H H 7.302 0.020 1
170 21 20 THR HA H 4.107 0.015 1
171 21 20 THR HB H 4.249 0.024 1
172 21 20 THR HG2 H 1.338 0.023 1
173 21 20 THR CA C 64.611 0.308 1
174 21 20 THR CB C 68.811 0.304 1
175 21 20 THR CG2 C 20.963 0.185 1
176 21 20 THR N N 116.373 0.061 1
177 22 21 ARG H H 7.290 0.009 1
178 22 21 ARG HA H 4.362 0.019 1
179 22 21 ARG HB2 H 2.032 0.028 2
180 22 21 ARG HB3 H 1.655 0.036 2
181 22 21 ARG HD2 H 3.137 0.019 1
182 22 21 ARG HD3 H 3.137 0.019 1
183 22 21 ARG CA C 54.065 0.278 1
184 22 21 ARG CB C 29.528 0.152 1
185 22 21 ARG CG C 26.374 0.030 1
186 22 21 ARG CD C 41.481 0.030 1
187 22 21 ARG N N 118.647 0.072 1
188 23 22 GLY H H 7.881 0.009 1
189 23 22 GLY HA2 H 3.858 0.044 1
190 23 22 GLY HA3 H 3.858 0.044 1
191 23 22 GLY CA C 46.112 0.088 1
192 23 22 GLY N N 108.637 0.080 1
193 24 23 VAL H H 7.333 0.003 1
194 24 23 VAL HA H 4.014 0.021 1
195 24 23 VAL HB H 1.942 0.025 1
196 24 23 VAL HG1 H 0.832 0.017 2
197 24 23 VAL HG2 H 0.870 0.043 2
198 24 23 VAL CA C 61.668 0.263 1
199 24 23 VAL CB C 32.372 0.243 1
200 24 23 VAL CG1 C 21.262 0.261 2
201 24 23 VAL CG2 C 25.461 0.030 2
202 24 23 VAL N N 117.390 0.155 1
203 25 24 LYS H H 8.722 0.012 1
204 25 24 LYS HA H 4.332 0.029 1
205 25 24 LYS HB2 H 1.648 0.006 2
206 25 24 LYS HB3 H 2.093 0.018 2
207 25 24 LYS HG2 H 1.392 0.050 1
208 25 24 LYS HG3 H 1.392 0.050 1
209 25 24 LYS HD2 H 1.620 0.056 2
210 25 24 LYS HD3 H 1.531 0.003 2
211 25 24 LYS HE2 H 2.931 0.023 2
212 25 24 LYS HE3 H 3.089 0.057 2
213 25 24 LYS CA C 55.762 0.240 1
214 25 24 LYS CB C 31.761 0.025 1
215 25 24 LYS CG C 24.569 0.140 1
216 25 24 LYS CD C 27.976 0.025 1
217 25 24 LYS CE C 41.806 0.239 1
218 25 24 LYS N N 127.322 0.170 1
219 26 25 VAL H H 7.119 0.073 1
220 26 25 VAL HA H 4.078 0.032 1
221 26 25 VAL HB H 1.754 0.025 1
222 26 25 VAL HG1 H 0.676 0.006 2
223 26 25 VAL HG2 H 0.712 0.042 2
224 26 25 VAL CA C 60.665 0.048 1
225 26 25 VAL CB C 33.647 0.267 1
226 26 25 VAL CG1 C 23.160 0.030 2
227 26 25 VAL CG2 C 21.031 0.234 2
228 26 25 VAL N N 120.568 0.129 1
229 27 26 LYS H H 8.570 0.008 1
230 27 26 LYS HA H 4.326 0.026 1
231 27 26 LYS HB2 H 1.654 0.011 1
232 27 26 LYS HB3 H 1.654 0.011 1
233 27 26 LYS HG2 H 1.387 0.018 1
234 27 26 LYS HG3 H 1.387 0.018 1
235 27 26 LYS HD2 H 1.621 0.006 1
236 27 26 LYS HD3 H 1.621 0.006 1
237 27 26 LYS HE2 H 2.930 0.012 1
238 27 26 LYS HE3 H 2.930 0.012 1
239 27 26 LYS CA C 55.411 0.046 1
240 27 26 LYS CB C 31.959 0.267 1
241 27 26 LYS CG C 24.581 0.027 1
242 27 26 LYS CD C 28.791 0.257 1
243 27 26 LYS CE C 41.952 0.017 1
244 27 26 LYS N N 125.675 0.086 1
245 28 27 TYR HA H 4.017 0.046 1
246 28 27 TYR HB2 H 2.920 0.003 1
247 28 27 TYR HB3 H 2.920 0.003 1
248 28 27 TYR CA C 56.412 0.030 1
249 28 27 TYR CB C 40.840 0.030 1
250 29 28 ALA H H 8.323 0.008 1
251 29 28 ALA HA H 3.668 0.029 1
252 29 28 ALA HB H 1.163 0.021 1
253 29 28 ALA CA C 54.678 0.325 1
254 29 28 ALA CB C 18.000 0.319 1
255 29 28 ALA N N 120.743 0.140 1
256 30 29 ASP H H 6.872 0.012 1
257 30 29 ASP HA H 4.281 0.059 1
258 30 29 ASP HB2 H 2.699 0.035 2
259 30 29 ASP HB3 H 2.718 0.014 2
260 30 29 ASP CA C 56.553 0.123 1
261 30 29 ASP CB C 39.807 0.314 1
262 30 29 ASP N N 117.202 0.053 1
263 31 30 LEU H H 7.433 0.015 1
264 31 30 LEU HA H 3.546 0.009 1
265 31 30 LEU HB2 H 1.801 0.002 1
266 31 30 LEU HB3 H 1.801 0.002 1
267 31 30 LEU CA C 56.725 0.304 1
268 31 30 LEU CB C 40.658 0.030 1
269 31 30 LEU CG C 24.766 0.030 1
270 31 30 LEU CD1 C 21.986 0.030 1
271 31 30 LEU CD2 C 21.986 0.030 1
272 31 30 LEU N N 122.273 0.131 1
273 32 31 LEU H H 8.727 0.016 1
274 32 31 LEU HA H 3.615 0.012 1
275 32 31 LEU HB2 H 1.659 0.022 1
276 32 31 LEU HB3 H 1.659 0.022 1
277 32 31 LEU CA C 58.096 0.315 1
278 32 31 LEU CB C 40.542 0.070 1
279 32 31 LEU CG C 25.499 0.030 1
280 32 31 LEU CD1 C 21.989 0.030 1
281 32 31 LEU CD2 C 21.989 0.030 1
282 32 31 LEU N N 123.376 0.077 1
283 33 32 LYS H H 7.149 0.013 1
284 33 32 LYS HA H 4.213 0.026 1
285 33 32 LYS HB2 H 1.891 0.011 2
286 33 32 LYS HB3 H 1.479 0.002 2
287 33 32 LYS HG2 H 1.387 0.041 1
288 33 32 LYS HG3 H 1.387 0.041 1
289 33 32 LYS HD2 H 1.599 0.048 2
290 33 32 LYS HD3 H 1.519 0.003 2
291 33 32 LYS HE2 H 2.981 0.039 1
292 33 32 LYS HE3 H 2.981 0.039 1
293 33 32 LYS CA C 59.098 0.291 1
294 33 32 LYS CB C 31.890 0.219 1
295 33 32 LYS CG C 25.034 0.179 1
296 33 32 LYS CD C 28.316 0.088 1
297 33 32 LYS CE C 42.389 0.026 1
298 33 32 LYS N N 118.078 0.061 1
299 34 33 PHE H H 7.633 0.022 1
300 34 33 PHE CA C 56.695 0.030 1
301 34 33 PHE CB C 41.219 0.030 1
302 34 33 PHE N N 117.398 0.085 1
303 35 34 PHE HA H 3.793 0.026 1
304 35 34 PHE HB2 H 2.967 0.001 2
305 35 34 PHE HB3 H 2.898 0.022 2
306 35 34 PHE CA C 61.592 0.283 1
307 35 34 PHE CB C 37.014 0.328 1
308 36 35 ASP H H 8.330 0.010 1
309 36 35 ASP HA H 4.096 0.022 1
310 36 35 ASP HB2 H 2.931 0.003 1
311 36 35 ASP HB3 H 2.931 0.003 1
312 36 35 ASP CA C 56.941 0.200 1
313 36 35 ASP CB C 39.104 0.044 1
314 36 35 ASP N N 120.136 0.050 1
315 37 36 PHE H H 7.794 0.008 1
316 37 36 PHE HA H 4.258 0.019 1
317 37 36 PHE HB2 H 2.742 0.043 2
318 37 36 PHE HB3 H 3.272 0.045 2
319 37 36 PHE CA C 59.698 1.432 1
320 37 36 PHE CB C 40.185 1.632 1
321 37 36 PHE N N 121.883 0.065 1
322 38 37 VAL H H 8.262 0.028 1
323 38 37 VAL HA H 3.039 0.026 1
324 38 37 VAL HB H 2.227 0.014 1
325 38 37 VAL HG1 H 0.650 0.012 2
326 38 37 VAL HG2 H 0.488 0.019 2
327 38 37 VAL CA C 66.882 0.255 1
328 38 37 VAL CB C 30.688 0.260 1
329 38 37 VAL CG1 C 23.710 0.247 2
330 38 37 VAL CG2 C 20.759 0.075 2
331 38 37 VAL N N 118.525 0.098 1
332 39 38 LYS HA H 3.456 0.014 1
333 39 38 LYS HB2 H 1.978 0.006 1
334 39 38 LYS HB3 H 1.978 0.006 1
335 39 38 LYS HG2 H 1.400 0.049 1
336 39 38 LYS HG3 H 1.400 0.049 1
337 39 38 LYS CA C 59.054 0.296 1
338 39 38 LYS CB C 31.696 0.287 1
339 39 38 LYS CG C 24.948 0.189 1
340 39 38 LYS CD C 29.451 0.124 1
341 39 38 LYS CE C 42.279 0.013 1
342 40 39 ASP HA H 4.445 0.041 1
343 40 39 ASP HB2 H 2.623 0.024 2
344 40 39 ASP HB3 H 2.684 0.003 2
345 40 39 ASP CA C 56.985 0.560 1
346 40 39 ASP CB C 40.692 0.300 1
347 41 40 ILE H H 8.788 0.007 1
348 41 40 ILE HA H 4.025 0.023 1
349 41 40 ILE HB H 1.698 0.045 1
350 41 40 ILE HG12 H 0.917 0.033 2
351 41 40 ILE HG13 H 1.036 0.034 2
352 41 40 ILE HG2 H 0.732 0.013 1
353 41 40 ILE HD1 H 0.683 0.007 1
354 41 40 ILE CA C 61.652 0.295 1
355 41 40 ILE CB C 38.064 0.057 1
356 41 40 ILE CG1 C 27.809 0.055 1
357 41 40 ILE CG2 C 17.470 0.231 1
358 41 40 ILE CD1 C 13.714 0.227 1
359 41 40 ILE N N 120.641 0.099 1
360 42 41 CYS H H 7.180 0.035 1
361 42 41 CYS CA C 56.172 0.030 1
362 42 41 CYS CB C 28.324 0.030 1
363 42 41 CYS N N 117.896 0.077 1
364 43 42 PRO HA H 4.315 0.013 1
365 43 42 PRO HB2 H 2.114 0.034 2
366 43 42 PRO HB3 H 2.423 0.031 2
367 43 42 PRO HG2 H 1.922 0.011 2
368 43 42 PRO HG3 H 2.074 0.024 2
369 43 42 PRO HD2 H 3.889 0.015 1
370 43 42 PRO HD3 H 3.889 0.015 1
371 43 42 PRO CA C 65.003 0.254 1
372 43 42 PRO CB C 30.715 0.401 1
373 43 42 PRO CG C 26.956 0.259 1
374 43 42 PRO CD C 50.941 0.262 1
375 44 43 TRP H H 6.591 0.021 1
376 44 43 TRP HA H 4.305 0.006 1
377 44 43 TRP HB2 H 3.055 0.003 1
378 44 43 TRP HB3 H 3.055 0.003 1
379 44 43 TRP CA C 55.398 0.020 1
380 44 43 TRP CB C 27.811 0.024 1
381 44 43 TRP N N 113.823 0.043 1
382 45 44 PHE H H 7.239 0.007 1
383 45 44 PHE HA H 4.001 0.012 1
384 45 44 PHE HB2 H 2.608 0.052 2
385 45 44 PHE HB3 H 2.515 0.015 2
386 45 44 PHE CA C 62.809 0.316 1
387 45 44 PHE CB C 34.935 0.125 1
388 45 44 PHE N N 123.100 0.070 1
389 46 45 PRO HA H 4.012 0.025 1
390 46 45 PRO HB2 H 2.156 0.010 2
391 46 45 PRO HB3 H 1.955 0.032 2
392 46 45 PRO HG2 H 2.094 0.006 1
393 46 45 PRO HG3 H 2.094 0.006 1
394 46 45 PRO HD2 H 3.632 0.013 2
395 46 45 PRO HD3 H 3.219 0.037 2
396 46 45 PRO CA C 64.531 0.274 1
397 46 45 PRO CB C 30.487 0.363 1
398 46 45 PRO CG C 27.657 0.310 1
399 46 45 PRO CD C 49.891 0.310 1
400 47 46 GLN H H 6.518 0.007 1
401 47 46 GLN HA H 3.937 0.017 1
402 47 46 GLN HB2 H 2.216 0.058 2
403 47 46 GLN HB3 H 2.038 0.025 2
404 47 46 GLN HG2 H 2.449 0.005 2
405 47 46 GLN HG3 H 2.411 0.012 2
406 47 46 GLN CA C 58.404 0.295 1
407 47 46 GLN CB C 28.320 0.087 1
408 47 46 GLN CG C 33.405 0.268 1
409 47 46 GLN N N 114.502 0.070 1
410 48 47 GLU H H 7.318 0.003 1
411 48 47 GLU HA H 4.038 0.015 1
412 48 47 GLU HB2 H 2.091 0.025 1
413 48 47 GLU HB3 H 2.091 0.025 1
414 48 47 GLU CA C 58.172 0.075 1
415 48 47 GLU CB C 28.954 0.261 1
416 48 47 GLU CG C 36.107 0.030 1
417 48 47 GLU N N 117.358 0.091 1
418 49 48 GLY H H 7.296 0.019 1
419 49 48 GLY HA2 H 3.164 0.034 2
420 49 48 GLY HA3 H 3.495 0.041 2
421 49 48 GLY CA C 47.303 0.067 1
422 49 48 GLY N N 105.534 0.076 1
423 50 49 THR H H 7.597 0.014 1
424 50 49 THR HA H 4.234 0.041 1
425 50 49 THR HB H 3.512 0.023 1
426 50 49 THR HG2 H 1.143 0.018 1
427 50 49 THR CA C 61.683 0.286 1
428 50 49 THR CB C 70.718 0.314 1
429 50 49 THR CG2 C 21.220 0.310 1
430 50 49 THR N N 114.069 0.085 1
431 51 50 ILE HA H 4.125 0.004 1
432 51 50 ILE HB H 1.945 0.016 1
433 51 50 ILE HG12 H 1.190 0.013 2
434 51 50 ILE HG13 H 1.249 0.016 2
435 51 50 ILE HG2 H 0.752 0.034 1
436 51 50 ILE HD1 H 0.611 0.012 1
437 51 50 ILE CA C 59.870 0.513 1
438 51 50 ILE CB C 35.288 0.306 1
439 51 50 ILE CG1 C 26.964 0.390 1
440 51 50 ILE CG2 C 17.835 0.030 1
441 51 50 ILE CD1 C 12.459 0.219 1
442 52 51 ASP H H 7.168 0.016 1
443 52 51 ASP HA H 4.623 0.036 1
444 52 51 ASP HB2 H 3.093 0.030 2
445 52 51 ASP HB3 H 2.728 0.023 2
446 52 51 ASP CA C 51.732 0.258 1
447 52 51 ASP CB C 42.461 0.034 1
448 52 51 ASP N N 121.791 0.077 1
449 53 52 ILE H H 8.336 0.043 1
450 53 52 ILE HA H 4.135 0.018 1
451 53 52 ILE HB H 1.907 0.029 1
452 53 52 ILE HG12 H 1.545 0.020 2
453 53 52 ILE HG13 H 1.533 0.012 2
454 53 52 ILE HG2 H 1.047 0.013 1
455 53 52 ILE HD1 H 0.980 0.024 1
456 53 52 ILE CA C 61.796 0.252 1
457 53 52 ILE CB C 37.815 0.247 1
458 53 52 ILE CG1 C 28.200 0.250 1
459 53 52 ILE CG2 C 17.940 0.210 1
460 53 52 ILE CD1 C 13.402 0.231 1
461 53 52 ILE N N 119.537 0.067 1
462 54 53 LYS H H 8.104 0.011 1
463 54 53 LYS HA H 4.105 0.022 1
464 54 53 LYS HB2 H 1.875 0.024 1
465 54 53 LYS HB3 H 1.875 0.024 1
466 54 53 LYS HG2 H 1.441 0.027 1
467 54 53 LYS HG3 H 1.441 0.027 1
468 54 53 LYS HD2 H 1.720 0.003 1
469 54 53 LYS HD3 H 1.720 0.003 1
470 54 53 LYS HE2 H 2.966 0.019 1
471 54 53 LYS HE3 H 2.966 0.019 1
472 54 53 LYS CA C 59.972 0.245 1
473 54 53 LYS CB C 31.748 0.190 1
474 54 53 LYS CG C 25.432 0.030 1
475 54 53 LYS CD C 27.269 0.030 1
476 54 53 LYS CE C 41.781 0.030 1
477 54 53 LYS N N 123.592 0.061 1
478 55 54 ARG H H 9.196 0.027 1
479 55 54 ARG HA H 4.301 0.041 1
480 55 54 ARG HB2 H 1.994 0.036 1
481 55 54 ARG HB3 H 1.994 0.036 1
482 55 54 ARG CA C 59.903 0.124 1
483 55 54 ARG CB C 30.056 0.149 1
484 55 54 ARG N N 120.511 0.072 1
485 56 55 TRP H H 8.899 0.005 1
486 56 55 TRP HA H 4.703 0.037 1
487 56 55 TRP HB2 H 3.292 0.039 1
488 56 55 TRP HB3 H 3.292 0.039 1
489 56 55 TRP CA C 59.406 0.065 1
490 56 55 TRP CB C 30.014 0.085 1
491 56 55 TRP N N 120.681 0.054 1
492 57 56 ARG H H 9.210 0.011 1
493 57 56 ARG HA H 4.407 0.017 1
494 57 56 ARG HB2 H 2.169 0.026 1
495 57 56 ARG HB3 H 2.169 0.026 1
496 57 56 ARG HD2 H 3.249 0.015 1
497 57 56 ARG HD3 H 3.249 0.015 1
498 57 56 ARG CA C 60.027 0.288 1
499 57 56 ARG CB C 29.786 0.311 1
500 57 56 ARG CG C 27.797 0.093 1
501 57 56 ARG CD C 43.085 0.335 1
502 57 56 ARG N N 122.115 0.102 1
503 58 57 ARG H H 7.640 0.013 1
504 58 57 ARG CA C 59.845 0.030 1
505 58 57 ARG CB C 29.729 0.030 1
506 58 57 ARG N N 120.918 0.064 1
507 59 58 VAL H H 7.916 0.006 1
508 59 58 VAL HA H 3.764 0.020 1
509 59 58 VAL HB H 1.508 0.021 1
510 59 58 VAL HG1 H -0.332 0.010 2
511 59 58 VAL HG2 H 0.458 0.012 2
512 59 58 VAL CA C 66.000 0.257 1
513 59 58 VAL CB C 30.832 0.270 1
514 59 58 VAL CG1 C 22.742 0.219 2
515 59 58 VAL CG2 C 20.414 0.189 2
516 60 59 GLY H H 7.623 0.013 1
517 60 59 GLY HA2 H 4.097 0.034 1
518 60 59 GLY HA3 H 4.097 0.034 1
519 60 59 GLY CA C 46.081 0.062 1
520 60 59 GLY N N 106.856 0.056 1
521 61 60 ASP H H 8.203 0.019 1
522 61 60 ASP HA H 4.225 0.042 1
523 61 60 ASP HB2 H 2.684 0.025 2
524 61 60 ASP HB3 H 2.640 0.043 2
525 61 60 ASP CA C 56.800 0.168 1
526 61 60 ASP CB C 39.484 0.307 1
527 61 60 ASP N N 123.308 0.033 1
528 62 61 CYS H H 7.795 0.003 1
529 62 61 CYS HA H 4.238 0.017 1
530 62 61 CYS HB2 H 3.168 0.039 2
531 62 61 CYS HB3 H 2.804 0.043 2
532 62 61 CYS CA C 62.950 0.051 1
533 62 61 CYS CB C 26.503 0.055 1
534 62 61 CYS N N 120.841 0.061 1
535 63 62 PHE H H 8.647 0.014 1
536 63 62 PHE HA H 4.278 0.013 1
537 63 62 PHE HB2 H 2.952 0.003 1
538 63 62 PHE HB3 H 2.952 0.003 1
539 63 62 PHE CA C 58.657 0.050 1
540 63 62 PHE CB C 36.990 0.003 1
541 63 62 PHE N N 119.763 0.064 1
542 64 63 GLN H H 8.261 0.019 1
543 64 63 GLN HA H 4.308 0.044 1
544 64 63 GLN HB2 H 2.166 0.025 1
545 64 63 GLN HB3 H 2.166 0.025 1
546 64 63 GLN CA C 59.333 0.014 1
547 64 63 GLN CB C 28.579 0.311 1
548 64 63 GLN CG C 36.538 0.030 1
549 64 63 GLN N N 118.578 0.112 1
550 65 64 ASP H H 8.338 0.013 1
551 65 64 ASP HA H 4.484 0.014 1
552 65 64 ASP HB2 H 2.779 0.013 1
553 65 64 ASP HB3 H 2.779 0.013 1
554 65 64 ASP CA C 57.329 0.374 1
555 65 64 ASP CB C 39.671 0.283 1
556 65 64 ASP N N 119.534 0.070 1
557 66 65 TYR H H 7.804 0.015 1
558 66 65 TYR HA H 4.502 0.023 1
559 66 65 TYR HB2 H 3.306 0.027 2
560 66 65 TYR HB3 H 3.004 0.027 2
561 66 65 TYR CA C 61.231 0.308 1
562 66 65 TYR CB C 38.433 0.280 1
563 66 65 TYR N N 123.600 0.066 1
564 67 66 TYR H H 9.100 0.013 1
565 67 66 TYR HA H 3.997 0.031 1
566 67 66 TYR HB2 H 3.274 0.027 2
567 67 66 TYR HB3 H 3.029 0.043 2
568 67 66 TYR CA C 61.903 0.220 1
569 67 66 TYR CB C 38.946 0.253 1
570 67 66 TYR N N 122.825 0.045 1
571 68 67 ASN H H 8.853 0.023 1
572 68 67 ASN HA H 4.283 0.046 1
573 68 67 ASN HB2 H 2.876 0.012 1
574 68 67 ASN HB3 H 2.876 0.012 1
575 68 67 ASN CA C 55.432 0.051 1
576 68 67 ASN CB C 37.876 0.002 1
577 68 67 ASN N N 118.826 0.059 1
578 69 68 THR H H 7.847 0.005 1
579 69 68 THR HA H 3.837 0.012 1
580 69 68 THR HB H 3.548 0.027 1
581 69 68 THR HG2 H 0.245 0.007 1
582 69 68 THR CA C 65.328 0.296 1
583 69 68 THR CB C 69.249 0.296 1
584 69 68 THR CG2 C 20.540 0.303 1
585 69 68 THR N N 114.242 0.067 1
586 70 69 PHE H H 8.489 0.003 1
587 70 69 PHE HA H 4.564 0.026 1
588 70 69 PHE HB2 H 3.153 0.021 1
589 70 69 PHE HB3 H 3.153 0.021 1
590 70 69 PHE CA C 58.242 0.282 1
591 70 69 PHE CB C 41.074 0.149 1
592 70 69 PHE N N 117.970 0.081 1
593 71 70 GLY H H 7.968 0.023 1
594 71 70 GLY CA C 45.032 0.030 1
595 71 70 GLY N N 109.516 0.080 1
596 72 71 PRO HA H 4.711 0.031 1
597 72 71 PRO HB2 H 2.343 0.043 2
598 72 71 PRO HB3 H 2.048 0.019 2
599 72 71 PRO HG2 H 2.008 0.007 2
600 72 71 PRO HG3 H 2.074 0.040 2
601 72 71 PRO HD2 H 3.278 0.015 2
602 72 71 PRO HD3 H 2.942 0.021 2
603 72 71 PRO CA C 63.297 0.135 1
604 72 71 PRO CB C 31.744 0.118 1
605 72 71 PRO CG C 26.885 0.280 1
606 72 71 PRO CD C 49.919 0.241 1
607 73 72 GLU H H 8.586 0.006 1
608 73 72 GLU HA H 3.899 0.043 1
609 73 72 GLU HB2 H 2.223 0.016 2
610 73 72 GLU HB3 H 1.981 0.019 2
611 73 72 GLU HG2 H 2.437 0.008 2
612 73 72 GLU HG3 H 2.348 0.035 2
613 73 72 GLU CA C 58.736 0.110 1
614 73 72 GLU CB C 28.863 0.246 1
615 73 72 GLU CG C 36.096 0.287 1
616 73 72 GLU N N 117.720 0.046 1
617 74 73 LYS H H 7.505 0.013 1
618 74 73 LYS HA H 4.389 0.027 1
619 74 73 LYS HB2 H 2.028 0.032 2
620 74 73 LYS HB3 H 1.946 0.015 2
621 74 73 LYS HG2 H 1.368 0.007 1
622 74 73 LYS HG3 H 1.368 0.007 1
623 74 73 LYS HD2 H 1.576 0.027 1
624 74 73 LYS HD3 H 1.576 0.027 1
625 74 73 LYS HE2 H 3.200 0.020 1
626 74 73 LYS HE3 H 3.200 0.020 1
627 74 73 LYS CA C 55.185 0.239 1
628 74 73 LYS CB C 34.087 0.264 1
629 74 73 LYS CG C 24.504 0.079 1
630 74 73 LYS CD C 28.233 0.179 1
631 74 73 LYS CE C 41.841 0.147 1
632 74 73 LYS N N 116.974 0.064 1
633 75 74 VAL H H 7.402 0.021 1
634 75 74 VAL HA H 4.313 0.037 1
635 75 74 VAL HB H 2.273 0.012 1
636 75 74 VAL HG1 H 0.894 0.021 2
637 75 74 VAL HG2 H 1.034 0.055 2
638 75 74 VAL CA C 62.045 0.033 1
639 75 74 VAL CB C 31.984 0.332 1
640 75 74 VAL CG1 C 23.154 0.030 2
641 75 74 VAL CG2 C 20.909 0.250 2
642 75 74 VAL N N 117.309 0.088 1
643 76 75 PRO HA H 4.562 0.045 1
644 76 75 PRO HB2 H 1.985 0.022 2
645 76 75 PRO HB3 H 2.245 0.031 2
646 76 75 PRO HG2 H 1.787 0.003 2
647 76 75 PRO HG3 H 1.672 0.037 2
648 76 75 PRO HD2 H 3.334 0.019 1
649 76 75 PRO HD3 H 3.334 0.019 1
650 76 75 PRO CA C 61.687 0.291 1
651 76 75 PRO CB C 31.731 0.206 1
652 76 75 PRO CG C 27.461 0.071 1
653 76 75 PRO CD C 49.265 0.256 1
654 77 76 VAL H H 8.473 0.003 1
655 77 76 VAL HA H 3.828 0.016 1
656 77 76 VAL HB H 2.142 0.012 1
657 77 76 VAL HG1 H 1.095 0.042 2
658 77 76 VAL HG2 H 0.964 0.022 2
659 77 76 VAL CA C 65.838 0.351 1
660 77 76 VAL CB C 31.387 0.232 1
661 77 76 VAL CG1 C 21.196 0.313 2
662 77 76 VAL CG2 C 18.615 0.030 2
663 77 76 VAL N N 120.870 0.035 1
664 78 77 ILE H H 8.388 0.055 1
665 78 77 ILE HA H 3.852 0.018 1
666 78 77 ILE HB H 1.456 0.021 1
667 78 77 ILE HG12 H 0.562 0.048 2
668 78 77 ILE HG13 H 0.592 0.037 2
669 78 77 ILE HG2 H 0.610 0.028 1
670 78 77 ILE HD1 H 0.100 0.013 1
671 78 77 ILE CA C 61.125 0.225 1
672 78 77 ILE CB C 37.135 0.104 1
673 78 77 ILE CG1 C 26.937 0.003 1
674 78 77 ILE CG2 C 17.854 0.243 1
675 78 77 ILE CD1 C 10.567 0.215 1
676 79 78 ALA H H 7.953 0.025 1
677 79 78 ALA HA H 3.890 0.021 1
678 79 78 ALA HB H 0.925 0.014 1
679 79 78 ALA CA C 54.889 0.308 1
680 79 78 ALA CB C 17.623 0.249 1
681 79 78 ALA N N 123.960 0.077 1
682 80 79 PHE H H 7.499 0.020 1
683 80 79 PHE HA H 4.431 0.068 1
684 80 79 PHE HB2 H 2.876 0.025 2
685 80 79 PHE HB3 H 2.750 0.045 2
686 80 79 PHE CA C 61.312 0.411 1
687 80 79 PHE CB C 37.656 0.319 1
688 80 79 PHE N N 114.330 0.059 1
689 81 80 SER H H 8.225 0.003 1
690 81 80 SER HA H 4.206 0.025 1
691 81 80 SER HB2 H 3.749 0.003 1
692 81 80 SER HB3 H 3.749 0.003 1
693 81 80 SER CA C 58.432 0.005 1
694 81 80 SER CB C 63.575 0.055 1
695 81 80 SER N N 115.971 0.037 1
696 82 81 TYR H H 8.378 0.008 1
697 82 81 TYR HA H 4.447 0.035 1
698 82 81 TYR HB2 H 2.954 0.003 1
699 82 81 TYR HB3 H 2.954 0.003 1
700 82 81 TYR CA C 55.885 0.281 1
701 82 81 TYR CB C 37.838 0.156 1
702 82 81 TYR N N 121.997 0.019 1
703 83 82 TRP H H 8.546 0.017 1
704 83 82 TRP CA C 57.393 0.030 1
705 83 82 TRP CB C 28.894 0.030 1
706 83 82 TRP N N 120.268 0.042 1
707 84 83 ASN HA H 4.220 0.023 1
708 84 83 ASN HB2 H 2.916 0.026 2
709 84 83 ASN HB3 H 3.120 0.041 2
710 84 83 ASN CA C 56.629 0.285 1
711 84 83 ASN CB C 39.065 0.299 1
712 85 84 LEU HA H 4.046 0.027 1
713 85 84 LEU HB2 H 1.755 0.039 1
714 85 84 LEU HB3 H 1.755 0.039 1
715 85 84 LEU HD1 H 0.795 0.009 1
716 85 84 LEU HD2 H 0.795 0.009 1
717 85 84 LEU CA C 58.142 0.331 1
718 85 84 LEU CB C 41.692 0.042 1
719 85 84 LEU CG C 28.028 0.030 1
720 85 84 LEU CD1 C 25.069 0.030 1
721 85 84 LEU CD2 C 25.069 0.030 1
722 86 85 ILE H H 7.882 0.010 1
723 86 85 ILE HA H 3.446 0.030 1
724 86 85 ILE HB H 1.923 0.009 1
725 86 85 ILE HG12 H 1.408 0.003 2
726 86 85 ILE HG13 H 1.383 0.012 2
727 86 85 ILE HG2 H -0.518 0.020 1
728 86 85 ILE HD1 H 0.779 0.019 1
729 86 85 ILE CA C 61.283 0.098 1
730 86 85 ILE CB C 34.412 0.241 1
731 86 85 ILE CG1 C 28.365 0.115 1
732 86 85 ILE CG2 C 16.265 0.233 1
733 86 85 ILE CD1 C 9.198 0.225 1
734 86 85 ILE N N 117.000 0.075 1
735 87 86 LYS HA H 3.226 0.035 1
736 87 86 LYS HB2 H 1.706 0.046 1
737 87 86 LYS HB3 H 1.706 0.046 1
738 87 86 LYS HD2 H 1.561 0.006 1
739 87 86 LYS HD3 H 1.561 0.006 1
740 87 86 LYS CA C 59.996 0.384 1
741 87 86 LYS CB C 31.050 0.175 1
742 87 86 LYS CG C 23.881 0.039 1
743 87 86 LYS CD C 29.118 0.283 1
744 87 86 LYS CE C 41.927 0.099 1
745 88 87 GLU H H 7.689 0.014 1
746 88 87 GLU HA H 3.847 0.021 1
747 88 87 GLU HB2 H 1.977 0.029 1
748 88 87 GLU HB3 H 1.977 0.029 1
749 88 87 GLU HG2 H 2.248 0.010 1
750 88 87 GLU HG3 H 2.248 0.010 1
751 88 87 GLU CA C 58.911 0.254 1
752 88 87 GLU CB C 28.969 0.263 1
753 88 87 GLU CG C 35.479 0.302 1
754 88 87 GLU N N 116.404 0.075 1
755 89 88 LEU H H 7.415 0.026 1
756 89 88 LEU HA H 3.889 0.021 1
757 89 88 LEU HB2 H 2.455 0.034 2
758 89 88 LEU HB3 H 1.216 0.026 2
759 89 88 LEU CA C 57.963 0.271 1
760 89 88 LEU CB C 41.300 0.159 1
761 89 88 LEU CG C 25.820 0.030 1
762 89 88 LEU CD1 C 22.671 0.030 2
763 89 88 LEU CD2 C 23.941 0.030 2
764 89 88 LEU N N 118.193 0.076 1
765 90 89 ILE H H 7.718 0.013 1
766 90 89 ILE HA H 3.418 0.012 1
767 90 89 ILE HB H 1.334 0.010 1
768 90 89 ILE HG12 H 1.503 0.016 2
769 90 89 ILE HG13 H 1.354 0.013 2
770 90 89 ILE HG2 H 0.418 0.021 1
771 90 89 ILE HD1 H 0.229 0.016 1
772 90 89 ILE CA C 64.908 0.276 1
773 90 89 ILE CB C 37.594 0.276 1
774 90 89 ILE CG1 C 29.350 0.117 1
775 90 89 ILE CG2 C 17.194 0.232 1
776 90 89 ILE CD1 C 13.990 0.215 1
777 90 89 ILE N N 115.471 0.054 1
778 91 90 ASP HA H 3.720 0.003 1
779 91 90 ASP HB2 H 1.787 0.035 1
780 91 90 ASP HB3 H 1.787 0.035 1
781 91 90 ASP CA C 57.664 0.030 1
782 91 90 ASP CB C 40.532 0.022 1
783 92 91 LYS H H 7.869 0.018 1
784 92 91 LYS CA C 58.897 0.030 1
785 92 91 LYS CB C 31.988 0.030 1
786 92 91 LYS N N 119.253 0.074 1
787 93 92 LYS HA H 4.531 0.037 1
788 93 92 LYS HB2 H 2.013 0.025 2
789 93 92 LYS HB3 H 2.681 0.016 2
790 93 92 LYS HG2 H 1.260 0.041 2
791 93 92 LYS HG3 H 1.832 0.002 2
792 93 92 LYS HD2 H 1.710 0.017 1
793 93 92 LYS HD3 H 1.710 0.017 1
794 93 92 LYS HE2 H 2.975 0.018 1
795 93 92 LYS HE3 H 2.975 0.018 1
796 93 92 LYS CA C 55.258 0.280 1
797 93 92 LYS CB C 32.169 0.103 1
798 93 92 LYS CG C 24.703 0.166 1
799 93 92 LYS CD C 29.014 0.281 1
800 93 92 LYS CE C 41.797 0.274 1
801 94 93 GLU H H 8.393 0.019 1
802 94 93 GLU HA H 4.133 0.029 1
803 94 93 GLU HB2 H 2.193 0.030 1
804 94 93 GLU HB3 H 2.193 0.030 1
805 94 93 GLU CA C 59.319 0.468 1
806 94 93 GLU CB C 27.375 0.070 1
807 94 93 GLU N N 116.729 0.031 1
808 95 94 VAL H H 7.923 0.014 1
809 95 94 VAL HA H 4.482 0.002 1
810 95 94 VAL HB H 1.072 0.018 1
811 95 94 VAL HG1 H 0.515 0.007 2
812 95 94 VAL HG2 H 0.484 0.035 2
813 95 94 VAL CA C 66.721 0.109 1
814 95 94 VAL CB C 33.894 0.119 1
815 95 94 VAL CG1 C 20.961 0.261 2
816 95 94 VAL CG2 C 23.738 0.030 2
817 95 94 VAL N N 121.696 0.083 1
818 97 96 PRO HA H 4.358 0.022 1
819 97 96 PRO HB2 H 1.827 0.056 2
820 97 96 PRO HB3 H 2.219 0.004 2
821 97 96 PRO HG2 H 1.955 0.004 2
822 97 96 PRO HG3 H 1.919 0.004 2
823 97 96 PRO HD2 H 3.723 0.017 1
824 97 96 PRO HD3 H 3.723 0.020 1
825 97 96 PRO CA C 62.607 0.369 1
826 97 96 PRO CB C 31.874 0.041 1
827 97 96 PRO CG C 26.855 0.044 1
828 97 96 PRO CD C 50.466 0.277 1
829 98 97 GLN H H 8.359 0.028 1
830 98 97 GLN HA H 3.925 0.024 1
831 98 97 GLN HB2 H 2.181 0.024 2
832 98 97 GLN HB3 H 2.417 0.038 2
833 98 97 GLN HG2 H 2.347 0.021 1
834 98 97 GLN HG3 H 2.347 0.021 1
835 98 97 GLN CA C 58.608 0.233 1
836 98 97 GLN CB C 28.521 0.421 1
837 98 97 GLN CG C 33.524 0.290 1
838 98 97 GLN N N 117.731 0.080 1
839 99 98 VAL H H 7.901 0.015 1
840 99 98 VAL HA H 3.420 0.029 1
841 99 98 VAL HB H 2.117 0.029 1
842 99 98 VAL HG1 H 0.791 0.028 2
843 99 98 VAL HG2 H 0.832 0.023 2
844 99 98 VAL CA C 66.404 0.255 1
845 99 98 VAL CB C 31.619 0.177 1
846 99 98 VAL CG1 C 25.380 0.030 2
847 99 98 VAL CG2 C 21.776 0.361 2
848 99 98 VAL N N 121.326 0.082 1
849 100 99 MET H H 7.509 0.046 1
850 100 99 MET HA H 3.812 0.043 1
851 100 99 MET HB2 H 1.442 0.001 1
852 100 99 MET HB3 H 1.442 0.001 1
853 100 99 MET CA C 59.297 0.055 1
854 100 99 MET CB C 32.099 0.092 1
855 100 99 MET N N 120.447 0.099 1
856 101 100 ALA H H 7.889 0.013 1
857 101 100 ALA HA H 4.210 0.008 1
858 101 100 ALA HB H 1.396 0.022 1
859 101 100 ALA CA C 54.752 0.292 1
860 101 100 ALA CB C 17.521 0.249 1
861 101 100 ALA N N 119.458 0.072 1
862 102 101 ALA H H 7.563 0.065 1
863 102 101 ALA HA H 3.993 0.016 1
864 102 101 ALA HB H 1.292 0.016 1
865 102 101 ALA CA C 54.888 0.285 1
866 102 101 ALA CB C 17.344 0.227 1
867 102 101 ALA N N 119.627 0.078 1
868 103 102 VAL H H 8.828 0.025 1
869 103 102 VAL HA H 4.073 0.022 1
870 103 102 VAL HB H 1.913 0.018 1
871 103 102 VAL HG1 H 0.773 0.029 2
872 103 102 VAL HG2 H 1.003 0.023 2
873 103 102 VAL CA C 61.685 0.378 1
874 103 102 VAL CB C 33.222 0.030 1
875 103 102 VAL CG1 C 25.188 0.030 2
876 103 102 VAL CG2 C 20.874 0.264 2
877 103 102 VAL N N 122.690 0.049 1
878 104 103 ALA H H 8.367 0.016 1
879 104 103 ALA HA H 4.269 0.011 1
880 104 103 ALA HB H 1.260 0.047 1
881 104 103 ALA CA C 52.141 0.346 1
882 104 103 ALA CB C 18.940 0.069 1
883 104 103 ALA N N 128.041 0.057 1
884 105 104 GLN H H 8.356 0.017 1
885 105 104 GLN CA C 56.931 0.030 1
886 105 104 GLN CB C 29.020 0.030 1
887 105 104 GLN N N 120.265 0.048 1
888 106 105 THR HA H 4.320 0.017 1
889 106 105 THR HB H 4.210 0.003 1
890 106 105 THR HG2 H 1.102 0.031 1
891 106 105 THR CA C 61.346 0.369 1
892 106 105 THR CB C 69.293 0.362 1
893 106 105 THR CG2 C 20.691 0.389 1
894 107 106 GLU H H 8.404 0.029 1
895 107 106 GLU HA H 4.182 0.028 1
896 107 106 GLU HB2 H 1.884 0.020 1
897 107 106 GLU HB3 H 1.884 0.020 1
898 107 106 GLU CA C 56.576 0.067 1
899 107 106 GLU CB C 29.936 0.298 1
900 107 106 GLU CG C 36.191 0.030 1
901 107 106 GLU N N 122.706 0.030 1
902 108 107 GLU H H 7.341 0.036 1
903 108 107 GLU HA H 4.161 0.026 1
904 108 107 GLU HB2 H 1.830 0.014 1
905 108 107 GLU HB3 H 1.830 0.014 1
906 108 107 GLU HG2 H 2.138 0.036 1
907 108 107 GLU HG3 H 2.138 0.036 1
908 108 107 GLU CA C 56.649 0.300 1
909 108 107 GLU CB C 29.676 0.396 1
910 108 107 GLU CG C 35.882 0.306 1
911 108 107 GLU N N 122.034 0.048 1
912 109 108 ILE H H 8.058 0.042 1
913 109 108 ILE HA H 4.047 0.028 1
914 109 108 ILE HB H 1.787 0.015 1
915 109 108 ILE HG12 H 1.124 0.011 2
916 109 108 ILE HG13 H 1.417 0.006 2
917 109 108 ILE HG2 H 0.833 0.009 1
918 109 108 ILE HD1 H 0.790 0.010 1
919 109 108 ILE CA C 61.565 0.340 1
920 109 108 ILE CB C 38.104 0.288 1
921 109 108 ILE CG1 C 27.349 0.158 1
922 109 108 ILE CG2 C 17.203 0.256 1
923 109 108 ILE CD1 C 12.459 0.266 1
924 109 108 ILE N N 122.151 0.055 1
925 110 109 LEU H H 8.194 0.011 1
926 110 109 LEU HA H 4.276 0.008 1
927 110 109 LEU HB2 H 1.621 0.024 1
928 110 109 LEU HB3 H 1.621 0.024 1
929 110 109 LEU CA C 55.151 0.311 1
930 110 109 LEU CB C 41.861 0.074 1
931 110 109 LEU CG C 27.501 0.030 1
932 110 109 LEU CD1 C 23.185 0.014 2
933 110 109 LEU CD2 C 24.889 0.030 2
934 110 109 LEU N N 122.427 0.211 1
935 111 110 LYS HA H 4.247 0.026 1
936 111 110 LYS HB2 H 1.705 0.032 2
937 111 110 LYS HB3 H 1.876 0.032 2
938 111 110 LYS HG2 H 1.373 0.019 1
939 111 110 LYS HG3 H 1.373 0.019 1
940 111 110 LYS HD2 H 1.538 0.013 1
941 111 110 LYS HD3 H 1.538 0.013 1
942 111 110 LYS HE2 H 2.931 0.036 1
943 111 110 LYS HE3 H 2.931 0.036 1
944 111 110 LYS CA C 56.137 0.254 1
945 111 110 LYS CB C 32.569 0.221 1
946 111 110 LYS CG C 24.493 0.236 1
947 111 110 LYS CD C 28.053 0.257 1
948 111 110 LYS CE C 41.654 0.108 1
949 112 111 SER H H 8.204 0.006 1
950 112 111 SER HA H 4.175 0.030 1
951 112 111 SER HB2 H 3.861 0.024 1
952 112 111 SER HB3 H 3.861 0.024 1
953 112 111 SER CA C 58.311 0.071 1
954 112 111 SER CB C 63.441 0.364 1
955 112 111 SER N N 116.453 0.145 1
956 113 112 ASN H H 7.944 0.005 1
957 113 112 ASN HA H 4.644 0.048 1
958 113 112 ASN HB2 H 2.738 0.016 1
959 113 112 ASN HB3 H 2.738 0.016 1
960 113 112 ASN CA C 53.645 0.410 1
961 113 112 ASN CB C 38.646 0.305 1
962 113 112 ASN N N 119.747 0.037 1
963 114 113 SER H H 7.962 0.006 1
964 114 113 SER HA H 4.336 0.040 1
965 114 113 SER HB2 H 3.808 0.007 1
966 114 113 SER HB3 H 3.808 0.007 1
967 114 113 SER CA C 58.711 0.273 1
968 114 113 SER CB C 63.308 0.343 1
969 114 113 SER N N 115.433 0.049 1
970 115 114 GLN H H 8.207 0.011 1
971 115 114 GLN HA H 4.274 0.010 1
972 115 114 GLN HB2 H 1.914 0.061 1
973 115 114 GLN HB3 H 1.914 0.061 1
974 115 114 GLN CA C 56.193 0.030 1
975 115 114 GLN CB C 28.807 0.030 1
976 115 114 GLN N N 121.682 0.051 1
977 116 115 THR H H 8.062 0.011 1
978 116 115 THR HA H 4.225 0.013 1
979 116 115 THR HB H 4.154 0.012 1
980 116 115 THR HG2 H 1.132 0.005 1
981 116 115 THR CA C 62.109 0.240 1
982 116 115 THR CB C 69.336 0.286 1
983 116 115 THR CG2 C 20.813 0.383 1
984 116 115 THR N N 114.715 0.034 1
985 117 116 ASP H H 8.065 0.012 1
986 117 116 ASP HA H 4.568 0.031 1
987 117 116 ASP HB2 H 2.598 0.029 2
988 117 116 ASP HB3 H 2.679 0.016 2
989 117 116 ASP CA C 54.204 0.278 1
990 117 116 ASP CB C 40.665 0.280 1
991 117 116 ASP N N 122.602 0.053 1
992 118 117 LEU H H 8.085 0.011 1
993 118 117 LEU HA H 4.155 0.013 1
994 118 117 LEU HB2 H 1.474 0.040 2
995 118 117 LEU HB3 H 1.417 0.003 2
996 118 117 LEU HG H 1.542 0.023 1
997 118 117 LEU HD1 H 0.767 0.006 2
998 118 117 LEU HD2 H 0.825 0.027 2
999 118 117 LEU CA C 55.423 0.240 1
1000 118 117 LEU CB C 41.873 0.132 1
1001 118 117 LEU CG C 26.556 0.078 1
1002 118 117 LEU CD1 C 24.670 0.288 2
1003 118 117 LEU CD2 C 23.148 0.236 2
1004 118 117 LEU N N 122.140 0.046 1
1005 119 118 GLU H H 8.143 0.004 1
1006 119 118 GLU HA H 4.068 0.024 1
1007 119 118 GLU HB2 H 1.807 0.025 2
1008 119 118 GLU HB3 H 1.718 0.036 2
1009 119 118 GLU HG2 H 2.061 0.012 2
1010 119 118 GLU HG3 H 2.170 0.022 2
1011 119 118 GLU CA C 56.565 0.286 1
1012 119 118 GLU CB C 29.572 0.084 1
1013 119 118 GLU CG C 35.847 0.268 1
1014 119 118 GLU N N 119.672 0.044 1
1015 120 119 HIS H H 8.107 0.005 1
1016 120 119 HIS CA C 55.883 0.030 1
1017 120 119 HIS CB C 29.270 0.030 1
1018 120 119 HIS N N 118.301 0.079 1
1019 121 120 HIS HA H 4.008 0.019 1
1020 121 120 HIS HB2 H 1.952 0.003 1
1021 121 120 HIS HB3 H 1.952 0.003 1
1022 121 120 HIS CA C 55.166 0.030 1
1023 121 120 HIS CB C 28.759 0.030 1
1024 122 121 HIS H H 8.489 0.006 1
1025 122 121 HIS HA H 4.218 0.023 1
1026 122 121 HIS HB2 H 1.889 0.003 1
1027 122 121 HIS HB3 H 1.889 0.003 1
1028 122 121 HIS CA C 56.081 0.094 1
1029 122 121 HIS CB C 29.371 0.185 1
1030 122 121 HIS N N 122.407 0.046 1
1031 123 122 HIS H H 8.596 0.009 1
1032 123 122 HIS HA H 4.387 0.003 1
1033 123 122 HIS HB2 H 3.065 0.013 1
1034 123 122 HIS HB3 H 3.065 0.013 1
1035 123 122 HIS CA C 56.310 0.031 1
1036 123 122 HIS CB C 29.502 0.317 1
1037 123 122 HIS N N 122.868 0.085 1
1038 124 123 HIS H H 8.255 0.023 1
1039 124 123 HIS HA H 4.557 0.023 1
1040 124 123 HIS HB2 H 3.094 0.032 2
1041 124 123 HIS HB3 H 2.985 0.028 2
1042 124 123 HIS CA C 55.385 0.316 1
1043 124 123 HIS CB C 29.358 0.314 1
1044 124 123 HIS N N 123.734 0.049 1
1045 125 124 HIS H H 8.192 0.020 1
1046 125 124 HIS HA H 4.381 0.006 1
1047 125 124 HIS HB2 H 3.177 0.008 2
1048 125 124 HIS HB3 H 3.151 0.006 2
1049 125 124 HIS CA C 56.884 0.332 1
1050 125 124 HIS CB C 29.654 0.349 1
1051 125 124 HIS N N 125.378 0.035 1
stop_
save_