data_16847
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase
;
_BMRB_accession_number 16847
_BMRB_flat_file_name bmr16847.str
_Entry_type new
_Submission_date 2010-04-07
_Accession_date 2010-04-07
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'H, N Ca, Cb assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Hall Justin . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 88
"15N chemical shifts" 89
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-04-30 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Hall Justin . .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name dimer
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
LC8 $LC8
nNOS $nNOS
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_LC8
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common LC8
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 89
_Mol_residue_sequence
;
MSDRKAVIKNADMSEEMQQD
AVDCATQALEKYNIEKDIAA
YIKKEFDKKYNPTWHCIVGR
NFGSYVTHETRHFIYFYLGQ
VAILLFKSG
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 SER 3 ASP 4 ARG 5 LYS
6 ALA 7 VAL 8 ILE 9 LYS 10 ASN
11 ALA 12 ASP 13 MET 14 SER 15 GLU
16 GLU 17 MET 18 GLN 19 GLN 20 ASP
21 ALA 22 VAL 23 ASP 24 CYS 25 ALA
26 THR 27 GLN 28 ALA 29 LEU 30 GLU
31 LYS 32 TYR 33 ASN 34 ILE 35 GLU
36 LYS 37 ASP 38 ILE 39 ALA 40 ALA
41 TYR 42 ILE 43 LYS 44 LYS 45 GLU
46 PHE 47 ASP 48 LYS 49 LYS 50 TYR
51 ASN 52 PRO 53 THR 54 TRP 55 HIS
56 CYS 57 ILE 58 VAL 59 GLY 60 ARG
61 ASN 62 PHE 63 GLY 64 SER 65 TYR
66 VAL 67 THR 68 HIS 69 GLU 70 THR
71 ARG 72 HIS 73 PHE 74 ILE 75 TYR
76 PHE 77 TYR 78 LEU 79 GLY 80 GLN
81 VAL 82 ALA 83 ILE 84 LEU 85 LEU
86 PHE 87 LYS 88 SER 89 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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
BMRB 15076 LC8 100.00 89 100.00 100.00 1.51e-59
BMRB 15077 LC8 100.00 89 100.00 100.00 1.51e-59
BMRB 15078 LC8 100.00 89 100.00 100.00 1.51e-59
BMRB 15953 H55K_mutant_of_LC8 100.00 89 98.88 98.88 2.59e-58
BMRB 17692 DLC8 100.00 89 100.00 100.00 1.51e-59
PDB 1RHW "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" 100.00 89 100.00 100.00 1.51e-59
PDB 2P2T "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" 100.00 89 100.00 100.00 1.51e-59
PDB 2PG1 "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" 100.00 91 100.00 100.00 1.69e-59
PDB 3BRI "Crystal Structure Of Apo-Lc8" 100.00 89 100.00 100.00 1.51e-59
PDB 3BRL "Crystal Structure Of Lc8 S88e SWA" 100.00 89 98.88 98.88 8.71e-59
PDB 3DVH "Lc8 Point Mutant K36p" 100.00 91 98.88 98.88 9.97e-59
PDB 3DVP "Pak1 Peptide Bound Lc8" 100.00 91 98.88 98.88 9.97e-59
PDB 3DVT "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" 100.00 91 100.00 100.00 1.69e-59
PDB 3E2B "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" 100.00 89 100.00 100.00 1.51e-59
PDB 3FM7 "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" 100.00 89 100.00 100.00 1.51e-59
PDB 3GLW "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" 100.00 89 100.00 100.00 1.51e-59
PDB 4QH7 "Lc8 - Ana2 (159-168) Complex" 100.00 94 100.00 100.00 1.88e-59
PDB 4QH8 "Lc8 - Ana2 (237-246) Complex" 100.00 94 100.00 100.00 1.88e-59
EMBL CDQ62741 "unnamed protein product [Oncorhynchus mykiss]" 100.00 132 97.75 100.00 1.36e-57
EMBL CDQ75050 "unnamed protein product [Oncorhynchus mykiss]" 100.00 89 97.75 100.00 2.30e-58
GB AAB04148 "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59
GB AAD00072 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59
GB AAD00073 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 98.88 100.00 5.16e-59
GB AAD00074 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59
GB AAF45975 "cut up, isoform A [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59
REF NP_001135068 "Dynein light chain 1, cytoplasmic [Salmo salar]" 100.00 89 97.75 100.00 2.30e-58
REF NP_001177683 "dynein light chain A [Nasonia vitripennis]" 100.00 89 100.00 100.00 1.51e-59
REF NP_001188181 "dynein light chain 1 cytoplasmic [Ictalurus punctatus]" 100.00 89 97.75 100.00 2.30e-58
REF NP_001245530 "cut up, isoform E [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59
REF NP_001245836 "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" 100.00 89 98.88 100.00 5.16e-59
SP O96860 "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" 100.00 89 98.88 100.00 5.16e-59
SP Q24117 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" 100.00 89 100.00 100.00 1.51e-59
TPG DAA34424 "TPA_exp: dynein light chain [Amblyomma variegatum]" 95.51 85 97.65 98.82 2.14e-54
stop_
save_
save_nNOS
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common nNOS
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
_Residue_count 17
_Mol_residue_sequence MKDMGIQVDRDLDGKSH
loop_
_Residue_seq_code
_Residue_label
1 MET 2 LYS 3 ASP 4 MET 5 GLY
6 ILE 7 GLN 8 VAL 9 ASP 10 ARG
11 ASP 12 LEU 13 ASP 14 GLY 15 LYS
16 SER 17 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-30
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
DBJ BAA03895 "nitric oxide synthase [Homo sapiens]" 100.00 1434 100.00 100.00 1.93e-02
DBJ BAG57679 "unnamed protein product [Homo sapiens]" 100.00 1206 100.00 100.00 1.50e-02
GB AAA36376 "nitric oxide synthase [Homo sapiens]" 100.00 1433 100.00 100.00 1.98e-02
GB AAA62405 "neuronal nitric oxide synthase [Homo sapiens]" 100.00 1434 100.00 100.00 1.93e-02
GB AAB49040 "nitric oxide synthase [Homo sapiens]" 100.00 1433 100.00 100.00 1.91e-02
GB AAB60654 "neuronal nitric oxide synthase [Homo sapiens]" 100.00 1554 100.00 100.00 1.55e-02
GB AAI56400 "Nitric oxide synthase 1 (neuronal), partial [synthetic construct]" 100.00 1434 100.00 100.00 1.93e-02
REF NP_000611 "nitric oxide synthase, brain isoform 1 [Homo sapiens]" 100.00 1434 100.00 100.00 1.93e-02
REF NP_001191147 "nitric oxide synthase, brain isoform 2 [Homo sapiens]" 100.00 1468 100.00 100.00 1.91e-02
REF XP_001083352 "PREDICTED: nitric oxide synthase, brain [Macaca mulatta]" 100.00 1401 100.00 100.00 2.05e-02
REF XP_003832698 "PREDICTED: nitric oxide synthase, brain [Pan paniscus]" 100.00 1403 100.00 100.00 1.92e-02
REF XP_003907271 "PREDICTED: nitric oxide synthase, brain isoform X2 [Papio anubis]" 100.00 1434 100.00 100.00 2.02e-02
SP P29475 "RecName: Full=Nitric oxide synthase, brain; AltName: Full=Constitutive NOS; AltName: Full=NC-NOS; AltName: Full=NOS type I; Alt" 100.00 1434 100.00 100.00 1.93e-02
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$LC8 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster
$nNOS Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
_Details
$LC8 'recombinant technology' . . . . pET15Da .
$nNOS 'obtained from a vendor' . . . . . 'The nNOS peptide was commercially synthesized from natural abundance isotopes. Sequence was confirmed by MSMS.'
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
$LC8 1 mM '[U-98% 15N]'
$nNOS 2 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
'sodium phosphate' 50 mM 'natural abundance'
'sodium citrate' 50 mM 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'sodium azide' 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
'chemical shift calculation'
stop_
_Details 'Assignments performed using Burrow Owl.'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AM
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_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_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_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
temperature 298 1 K
pH 5.5 0.1 pH
pressure 1 . atm
'ionic strength' 0.05 0.001 M
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details 'H referencing was performed using DSS signal set to 0ppm. N and C referencing relative to H from DSS'
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 H 1 'methyl protons' ppm 0 internal direct . . . 1
DSS N 15 'methyl protons' ppm 0 internal 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
'2D 1H-15N HSQC'
'3D HNCA'
'3D CBCA(CO)NH'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name LC8
_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 MET H H 10.51 0.05 1
2 1 1 MET N N 119.438 0.05 1
3 2 2 SER H H 10.124 0.05 1
4 2 2 SER N N 119.307 0.05 1
5 3 3 ASP H H 8.565 0.05 1
6 3 3 ASP N N 122.436 0.05 1
7 4 4 ARG H H 8.326 0.05 1
8 4 4 ARG N N 121.219 0.05 1
9 5 5 LYS H H 8.041 0.05 1
10 5 5 LYS N N 121.31 0.05 1
11 6 6 ALA H H 7.693 0.05 1
12 6 6 ALA N N 110.408 0.05 1
13 7 7 VAL H H 9.027 0.05 1
14 7 7 VAL N N 123.977 0.05 1
15 8 8 ILE H H 9.104 0.05 1
16 8 8 ILE N N 128.689 0.05 1
17 9 9 LYS H H 7.9 0.05 1
18 9 9 LYS N N 128.723 0.05 1
19 10 10 ASN H H 7.98 0.05 1
20 10 10 ASN N N 115.847 0.05 1
21 11 11 ALA H H 8.919 0.05 1
22 11 11 ALA N N 126.244 0.05 1
23 12 12 ASP H H 8.818 0.05 1
24 12 12 ASP N N 125.875 0.05 1
25 13 13 MET H H 7.848 0.05 1
26 13 13 MET N N 119.315 0.05 1
27 14 14 SER H H 9.074 0.05 1
28 14 14 SER N N 121.277 0.05 1
29 15 15 GLU H H 9.13 0.05 1
30 15 15 GLU N N 122.908 0.05 1
31 16 16 GLU H H 8.759 0.05 1
32 16 16 GLU N N 118.099 0.05 1
33 17 17 MET H H 7.505 0.05 1
34 17 17 MET N N 120.541 0.05 1
35 18 18 GLN H H 8.361 0.05 1
36 18 18 GLN N N 119.336 0.05 1
37 19 19 GLN H H 7.904 0.05 1
38 19 19 GLN N N 117.084 0.05 1
39 20 20 ASP H H 8.618 0.05 1
40 20 20 ASP N N 119.225 0.05 1
41 21 21 ALA H H 8.654 0.05 1
42 21 21 ALA N N 124.138 0.05 1
43 22 22 VAL H H 7.768 0.05 1
44 22 22 VAL N N 117.639 0.05 1
45 23 23 ASP H H 8.842 0.05 1
46 23 23 ASP N N 123.142 0.05 1
47 24 24 CYS H H 9.011 0.05 1
48 24 24 CYS N N 120.555 0.05 1
49 25 25 ALA H H 8.491 0.05 1
50 25 25 ALA N N 121.189 0.05 1
51 26 26 THR H H 8.4 0.05 1
52 26 26 THR N N 115.226 0.05 1
53 27 27 GLN H H 7.738 0.05 1
54 27 27 GLN N N 119.067 0.05 1
55 28 28 ALA H H 8.396 0.05 1
56 28 28 ALA N N 122.771 0.05 1
57 29 29 LEU H H 8.241 0.05 1
58 29 29 LEU N N 116.909 0.05 1
59 30 30 GLU H H 7.277 0.05 1
60 30 30 GLU N N 115.506 0.05 1
61 31 31 LYS H H 7.166 0.05 1
62 31 31 LYS N N 117.778 0.05 1
63 32 32 TYR H H 8.146 0.05 1
64 32 32 TYR N N 117.001 0.05 1
65 33 33 ASN H H 8.409 0.05 1
66 33 33 ASN N N 114.349 0.05 1
67 34 34 ILE H H 7.632 0.05 1
68 34 34 ILE N N 114.538 0.05 1
69 35 35 GLU H H 9.865 0.05 1
70 35 35 GLU N N 123.004 0.05 1
71 36 36 LYS H H 8.883 0.05 1
72 36 36 LYS N N 117.577 0.05 1
73 37 37 ASP H H 6.898 0.05 1
74 37 37 ASP N N 119.113 0.05 1
75 38 38 ILE H H 7.538 0.05 1
76 38 38 ILE N N 122.746 0.05 1
77 39 39 ALA H H 8.189 0.05 1
78 39 39 ALA N N 119.513 0.05 1
79 40 40 ALA H H 7.947 0.05 1
80 40 40 ALA N N 119.415 0.05 1
81 41 41 TYR H H 7.43 0.05 1
82 41 41 TYR N N 117.583 0.05 1
83 42 42 ILE H H 7.668 0.05 1
84 42 42 ILE N N 117.471 0.05 1
85 43 43 LYS H H 8.237 0.05 1
86 43 43 LYS N N 118.921 0.05 1
87 44 44 LYS H H 8.402 0.05 1
88 44 44 LYS N N 117.672 0.05 1
89 45 45 GLU H H 7.719 0.05 1
90 45 45 GLU N N 119.849 0.05 1
91 46 46 PHE H H 8.396 0.05 1
92 46 46 PHE N N 122.777 0.05 1
93 47 47 ASP H H 8.44 0.05 1
94 47 47 ASP N N 119.693 0.05 1
95 48 48 LYS H H 7.217 0.05 1
96 48 48 LYS N N 117.488 0.05 1
97 49 49 LYS H H 8.006 0.05 1
98 49 49 LYS N N 117.432 0.05 1
99 50 50 TYR H H 8.364 0.05 1
100 50 50 TYR N N 115.207 0.05 1
101 51 51 ASN H H 6.945 0.05 1
102 51 51 ASN N N 112.969 0.05 1
103 52 52 PRO N N 119.262 0.05 1
104 53 53 THR H H 8.083 0.05 1
105 53 53 THR N N 121.601 0.05 1
106 54 54 TRP H H 9.434 0.05 1
107 54 54 TRP N N 127.232 0.05 1
108 55 55 HIS H H 8.432 0.05 1
109 55 55 HIS N N 117.758 0.05 1
110 56 56 CYS H H 8.81 0.05 1
111 56 56 CYS N N 119.585 0.05 1
112 57 57 ILE H H 9.384 0.05 1
113 57 57 ILE N N 131.756 0.05 1
114 58 58 VAL H H 8.544 0.05 1
115 58 58 VAL N N 123.732 0.05 1
116 59 59 GLY H H 9.803 0.05 1
117 59 59 GLY N N 111.757 0.05 1
118 60 60 ARG H H 9.198 0.05 1
119 60 60 ARG N N 120.469 0.05 1
120 61 61 ASN H H 8.962 0.05 1
121 61 61 ASN N N 116.945 0.05 1
122 62 62 PHE H H 8.321 0.05 1
123 62 62 PHE N N 120.293 0.05 1
124 63 63 GLY H H 9.509 0.05 1
125 63 63 GLY N N 106.641 0.05 1
126 64 64 SER H H 8.717 0.05 1
127 64 64 SER N N 113.484 0.05 1
128 65 65 TYR H H 9.074 0.05 1
129 65 65 TYR N N 117.035 0.05 1
130 66 66 VAL H H 7.871 0.05 1
131 66 66 VAL N N 119.758 0.05 1
132 67 67 THR H H 9.391 0.05 1
133 67 67 THR N N 126.567 0.05 1
134 68 68 HIS H H 8.319 0.05 1
135 68 68 HIS N N 121.82 0.05 1
136 69 69 GLU H H 7.721 0.05 1
137 69 69 GLU N N 121.608 0.05 1
138 70 70 THR H H 7.94 0.05 1
139 70 70 THR N N 115.184 0.05 1
140 71 71 ARG H H 9.148 0.05 1
141 71 71 ARG N N 128.952 0.05 1
142 72 72 HIS H H 8.41 0.05 1
143 72 72 HIS N N 122.302 0.05 1
144 73 73 PHE H H 8.69 0.05 1
145 73 73 PHE N N 120.28 0.05 1
146 74 74 ILE H H 8.75 0.05 1
147 74 74 ILE N N 128.737 0.05 1
148 75 75 TYR H H 8.381 0.05 1
149 75 75 TYR N N 127.146 0.05 1
150 76 76 PHE H H 9.361 0.05 1
151 76 76 PHE N N 125.133 0.05 1
152 77 77 TYR H H 9.16 0.05 1
153 77 77 TYR N N 119.103 0.05 1
154 78 78 LEU H H 8.735 0.05 1
155 78 78 LEU N N 122.34 0.05 1
156 79 79 GLY H H 9.141 0.05 1
157 79 79 GLY N N 114.129 0.05 1
158 80 80 GLN H H 8.841 0.05 1
159 80 80 GLN N N 126.116 0.05 1
160 81 81 VAL H H 7.752 0.05 1
161 81 81 VAL N N 118.152 0.05 1
162 82 82 ALA H H 8.541 0.05 1
163 82 82 ALA N N 126.229 0.05 1
164 83 83 ILE H H 8.732 0.05 1
165 83 83 ILE N N 121.188 0.05 1
166 84 84 LEU H H 9.382 0.05 1
167 84 84 LEU N N 128.467 0.05 1
168 85 85 LEU H H 8.844 0.05 1
169 85 85 LEU N N 129.949 0.05 1
170 86 86 PHE H H 8.422 0.05 1
171 86 86 PHE N N 120.407 0.05 1
172 87 87 LYS H H 7.692 0.05 1
173 87 87 LYS N N 121.019 0.05 1
174 88 88 SER H H 8.676 0.05 1
175 88 88 SER N N 122.808 0.05 1
176 89 89 GLY H H 8.533 0.05 1
177 89 89 GLY N N 122.817 0.05 1
stop_
save_