data_5266
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 15N and 13C assignments of the focal adhesion targeting domain of focal
adhesion kinase (FAT)
;
_BMRB_accession_number 5266
_BMRB_flat_file_name bmr5266.str
_Entry_type original
_Submission_date 2002-01-28
_Accession_date 2002-01-28
_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 Liu Gaohua . .
2 Guibao Cristina D .
3 Zheng Jie . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 125
"13C chemical shifts" 270
"15N chemical shifts" 125
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-01-06 original author .
stop_
_Original_release_date 2003-01-06
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: 1H, 15N and 13C Assignments of the Targeting (FAT) Domain
of Focal Adhesion Kinase
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 22056595
_PubMed_ID 12061723
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu Gaohua . .
2 Guibao Cristina D .
3 Zheng Jie . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 23
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 75
_Page_last 76
_Year 2002
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_FAT
_Saveframe_category molecular_system
_Mol_system_name 'FAT domain of Focal adhesion kinase (914-1053)'
_Abbreviation_common FAT
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'FAT domain (914-1053)' $FAT
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_FAT
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Focal Adhesion Targeting domain of focal adhesion kinase (914-1053)'
_Abbreviation_common FAT
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details
;
The residues 2-139 of fat domain here are same as the residues 916-1053
of Focal adhesion kinase.
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 139
_Mol_residue_sequence
;
MANLDRSNDKVYENVTGLVK
AVIEMSSKIQPAPPEEYVPM
VKEVGLALRTLLATVDESLP
VLPASTHREIEMAQKLLNSD
LAELINKMKLAQQYVMTSLQ
QEYKKQMLTAAHALAVDAKN
LLDVIDQARLKMISQSRPH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -1 MET 2 916 ALA 3 917 ASN 4 918 LEU 5 919 ASP
6 920 ARG 7 921 SER 8 922 ASN 9 923 ASP 10 924 LYS
11 925 VAL 12 926 TYR 13 927 GLU 14 928 ASN 15 929 VAL
16 930 THR 17 931 GLY 18 932 LEU 19 933 VAL 20 934 LYS
21 935 ALA 22 936 VAL 23 937 ILE 24 938 GLU 25 939 MET
26 940 SER 27 941 SER 28 942 LYS 29 943 ILE 30 944 GLN
31 945 PRO 32 946 ALA 33 947 PRO 34 948 PRO 35 949 GLU
36 950 GLU 37 951 TYR 38 952 VAL 39 953 PRO 40 954 MET
41 955 VAL 42 956 LYS 43 957 GLU 44 958 VAL 45 959 GLY
46 960 LEU 47 961 ALA 48 962 LEU 49 963 ARG 50 964 THR
51 965 LEU 52 966 LEU 53 967 ALA 54 968 THR 55 969 VAL
56 970 ASP 57 971 GLU 58 972 SER 59 973 LEU 60 974 PRO
61 975 VAL 62 976 LEU 63 977 PRO 64 978 ALA 65 979 SER
66 980 THR 67 981 HIS 68 982 ARG 69 983 GLU 70 984 ILE
71 985 GLU 72 986 MET 73 987 ALA 74 988 GLN 75 989 LYS
76 990 LEU 77 991 LEU 78 992 ASN 79 993 SER 80 994 ASP
81 995 LEU 82 996 ALA 83 997 GLU 84 998 LEU 85 999 ILE
86 1000 ASN 87 1001 LYS 88 1002 MET 89 1003 LYS 90 1004 LEU
91 1005 ALA 92 1006 GLN 93 1007 GLN 94 1008 TYR 95 1009 VAL
96 1010 MET 97 1011 THR 98 1012 SER 99 1013 LEU 100 1014 GLN
101 1015 GLN 102 1016 GLU 103 1017 TYR 104 1018 LYS 105 1019 LYS
106 1020 GLN 107 1021 MET 108 1022 LEU 109 1023 THR 110 1024 ALA
111 1025 ALA 112 1026 HIS 113 1027 ALA 114 1028 LEU 115 1029 ALA
116 1030 VAL 117 1031 ASP 118 1032 ALA 119 1033 LYS 120 1034 ASN
121 1035 LEU 122 1036 LEU 123 1037 ASP 124 1038 VAL 125 1039 ILE
126 1040 ASP 127 1041 GLN 128 1042 ALA 129 1043 ARG 130 1044 LEU
131 1045 LYS 132 1046 MET 133 1047 ILE 134 1048 SER 135 1049 GLN
136 1050 SER 137 1051 ARG 138 1052 PRO 139 1053 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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 5677 FAT 96.40 146 100.00 100.00 1.47e-89
BMRB 5924 FAT 96.40 134 100.00 100.00 1.30e-89
PDB 1KTM "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" 99.28 139 100.00 100.00 1.20e-92
PDB 1PV3 "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" 96.40 146 100.00 100.00 1.47e-89
PDB 1QVX "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" 96.40 134 100.00 100.00 1.30e-89
PDB 2L6F "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" 100.00 215 100.00 100.00 5.84e-95
PDB 2L6G "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" 100.00 176 100.00 100.00 2.35e-93
PDB 2L6H "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" 100.00 180 100.00 100.00 5.70e-95
GB AAA48765 "focal adhesion kinase [Gallus gallus]" 99.28 1053 100.00 100.00 7.52e-84
GB AAA48773 "protein-tyrosine kinase [Gallus gallus]" 99.28 359 99.28 99.28 2.60e-88
GB EMC80181 "Focal adhesion kinase 1, partial [Columba livia]" 99.28 1043 99.28 100.00 2.69e-83
GB EOA99770 "Focal adhesion kinase 1, partial [Anas platyrhynchos]" 99.28 1068 99.28 100.00 1.94e-83
GB KFM11460 "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" 99.28 1065 99.28 100.00 1.87e-83
REF NP_990766 "focal adhesion kinase 1 [Gallus gallus]" 99.28 1053 100.00 100.00 7.52e-84
REF XP_002191290 "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" 99.28 1051 97.83 99.28 1.30e-80
REF XP_004174254 "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" 99.28 1054 97.83 99.28 1.30e-80
REF XP_005021656 "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" 99.28 1099 99.28 100.00 2.64e-83
REF XP_005021657 "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" 99.28 1096 99.28 100.00 2.46e-83
SP Q00944 "RecName: Full=Focal adhesion kinase 1; Short=FADK 1; AltName: Full=Focal adhesion kinase-related nonkinase; Short=FRNK; Short=p" 99.28 1053 100.00 100.00 7.52e-84
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$FAT Chicken 9031 Eukaryota Metazoa Gallus gallus
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
$FAT 'recombinant technology' . . . . .
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
$FAT 1.0 mL [U-15N]
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$FAT 2.0 mL '[U-13C; U-15N]'
stop_
save_
############################
# Computer software used #
############################
save_XEASY
_Saveframe_category software
_Name XEASY
_Version 1.3.13
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_HAQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HAQC'
_Sample_label .
save_
save_1H-15N_NOESYHSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESYHSQC'
_Sample_label .
save_
save_1H-15N_TOCSYHSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSYHSQC'
_Sample_label .
save_
save_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CBCACONH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label .
save_
save_HN(CO)CA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label .
save_
save_3D_C13-edit_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C13-edit NOESY'
_Sample_label .
save_
save_3D_HCCHTOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCHTOCSY'
_Sample_label .
save_
save_3D_HCCHCOSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCHCOSY'
_Sample_label .
save_
save_4D_15N-C13_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 15N-C13 NOESY'
_Sample_label .
save_
save_4D_C13-C13_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D C13-C13 NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HAQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESYHSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSYHSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C13-edit NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCHTOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCHCOSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D 15N-C13 NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D C13-C13 NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.2 0.2 na
temperature 310 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088
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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'1H-15N HAQC'
'1H-15N NOESYHSQC'
'1H-15N TOCSYHSQC'
HNCA
HNCACB
CBCACONH
HN(CO)CA
'3D C13-edit NOESY'
'3D HCCHTOCSY'
'3D HCCHCOSY'
'4D 15N-C13 NOESY'
'4D C13-C13 NOESY'
stop_
_Sample_conditions_label $Ex-cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'FAT domain (914-1053)'
_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 MET CA C 55.458 0.08 .
2 . 2 ALA N N 123.283 0.08 .
3 . 2 ALA H H 8.345 0.01 .
4 . 2 ALA CA C 52.659 0.08 .
5 . 2 ALA CB C 19.409 0.08 .
6 . 3 ASN N N 115.861 0.08 .
7 . 3 ASN H H 8.349 0.01 .
8 . 3 ASN CA C 52.918 0.08 .
9 . 3 ASN CB C 38.900 0.08 .
10 . 4 LEU N N 120.723 0.08 .
11 . 4 LEU H H 7.954 0.01 .
12 . 4 LEU CA C 54.801 0.08 .
13 . 4 LEU CB C 42.323 0.08 .
14 . 5 ASP N N 120.010 0.08 .
15 . 5 ASP H H 8.394 0.01 .
16 . 5 ASP CA C 54.318 0.08 .
17 . 5 ASP CB C 41.374 0.08 .
18 . 6 ARG CA C 54.291 0.08 .
19 . 7 SER N N 116.511 0.08 .
20 . 7 SER H H 8.550 0.01 .
21 . 7 SER CA C 61.283 0.08 .
22 . 7 SER CB C 63.068 0.08 .
23 . 8 ASN N N 118.164 0.08 .
24 . 8 ASN H H 8.567 0.01 .
25 . 8 ASN CA C 52.983 0.08 .
26 . 8 ASN CB C 38.740 0.08 .
27 . 9 ASP N N 117.548 0.08 .
28 . 9 ASP H H 7.590 0.01 .
29 . 9 ASP CA C 52.915 0.08 .
30 . 9 ASP CB C 41.739 0.08 .
31 . 10 LYS N N 124.935 0.08 .
32 . 10 LYS H H 8.665 0.01 .
33 . 10 LYS CA C 58.158 0.08 .
34 . 10 LYS CB C 32.494 0.08 .
35 . 11 VAL N N 117.451 0.08 .
36 . 11 VAL H H 7.998 0.01 .
37 . 11 VAL CA C 67.155 0.08 .
38 . 11 VAL CB C 31.063 0.08 .
39 . 12 TYR N N 119.298 0.08 .
40 . 12 TYR H H 8.051 0.01 .
41 . 12 TYR CA C 62.257 0.08 .
42 . 12 TYR CB C 38.740 0.08 .
43 . 13 GLU N N 118.628 0.08 .
44 . 13 GLU H H 8.506 0.01 .
45 . 13 GLU CA C 59.742 0.08 .
46 . 13 GLU CB C 29.884 0.08 .
47 . 14 ASN N N 115.896 0.08 .
48 . 14 ASN H H 8.413 0.01 .
49 . 14 ASN CA C 55.601 0.08 .
50 . 14 ASN CB C 39.376 0.08 .
51 . 15 VAL N N 124.255 0.08 .
52 . 15 VAL H H 9.076 0.01 .
53 . 15 VAL CA C 67.903 0.08 .
54 . 15 VAL CB C 31.158 0.08 .
55 . 16 THR N N 113.433 0.08 .
56 . 16 THR H H 8.388 0.01 .
57 . 16 THR CA C 67.652 0.08 .
58 . 16 THR CB C 67.949 0.08 .
59 . 17 GLY N N 106.241 0.08 .
60 . 17 GLY H H 8.382 0.01 .
61 . 17 GLY CA C 47.239 0.08 .
62 . 18 LEU N N 122.538 0.08 .
63 . 18 LEU H H 7.788 0.01 .
64 . 18 LEU CA C 57.991 0.08 .
65 . 18 LEU CB C 41.809 0.08 .
66 . 19 VAL N N 118.520 0.08 .
67 . 19 VAL H H 8.496 0.01 .
68 . 19 VAL CA C 68.010 0.08 .
69 . 19 VAL CB C 30.880 0.08 .
70 . 20 LYS N N 117.483 0.08 .
71 . 20 LYS H H 8.766 0.01 .
72 . 20 LYS CA C 60.749 0.08 .
73 . 20 LYS CB C 32.082 0.08 .
74 . 21 ALA N N 120.529 0.08 .
75 . 21 ALA H H 7.992 0.01 .
76 . 21 ALA CA C 55.193 0.08 .
77 . 21 ALA CB C 17.063 0.08 .
78 . 22 VAL N N 118.747 0.08 .
79 . 22 VAL H H 8.489 0.01 .
80 . 22 VAL CA C 67.488 0.08 .
81 . 22 VAL CB C 31.304 0.08 .
82 . 23 ILE N N 124.644 0.08 .
83 . 23 ILE H H 8.882 0.01 .
84 . 23 ILE CA C 66.479 0.08 .
85 . 23 ILE CB C 38.163 0.08 .
86 . 24 GLU N N 119.524 0.08 .
87 . 24 GLU H H 8.436 0.01 .
88 . 24 GLU CA C 59.681 0.08 .
89 . 24 GLU CB C 29.170 0.08 .
90 . 25 MET N N 116.900 0.08 .
91 . 25 MET H H 8.215 0.01 .
92 . 25 MET CA C 59.375 0.08 .
93 . 25 MET CB C 33.369 0.08 .
94 . 26 SER N N 112.008 0.08 .
95 . 26 SER H H 8.559 0.01 .
96 . 26 SER CA C 62.778 0.08 .
97 . 26 SER CB C 62.676 0.08 .
98 . 27 SER N N 113.433 0.08 .
99 . 27 SER H H 8.060 0.01 .
100 . 27 SER CA C 60.603 0.08 .
101 . 27 SER CB C 63.555 0.08 .
102 . 28 LYS N N 118.228 0.08 .
103 . 28 LYS H H 7.905 0.01 .
104 . 28 LYS CA C 57.654 0.08 .
105 . 28 LYS CB C 34.051 0.08 .
106 . 29 ILE N N 115.280 0.08 .
107 . 29 ILE H H 8.019 0.01 .
108 . 29 ILE CA C 64.048 0.08 .
109 . 29 ILE CB C 38.528 0.08 .
110 . 30 GLN N N 118.131 0.08 .
111 . 30 GLN H H 8.209 0.01 .
112 . 30 GLN CA C 61.957 0.08 .
113 . 30 GLN CB C 25.685 0.08 .
114 . 31 PRO CA C 63.777 0.08 .
115 . 31 PRO CB C 31.507 0.08 .
116 . 32 ALA N N 121.468 0.08 .
117 . 32 ALA H H 7.111 0.01 .
118 . 32 ALA CA C 51.242 0.08 .
119 . 32 ALA CB C 19.409 0.08 .
120 . 33 PRO CA C 60.939 0.08 .
121 . 33 PRO CB C 30.933 0.08 .
122 . 34 PRO CA C 63.996 0.08 .
123 . 34 PRO CB C 31.743 0.08 .
124 . 35 GLU N N 115.863 0.08 .
125 . 35 GLU H H 9.480 0.01 .
126 . 35 GLU CA C 59.396 0.08 .
127 . 35 GLU CB C 28.415 0.08 .
128 . 36 GLU N N 115.701 0.08 .
129 . 36 GLU H H 8.070 0.01 .
130 . 36 GLU CA C 56.524 0.08 .
131 . 36 GLU CB C 30.528 0.08 .
132 . 37 TYR N N 115.961 0.08 .
133 . 37 TYR H H 7.879 0.01 .
134 . 37 TYR CA C 58.565 0.08 .
135 . 37 TYR CB C 37.755 0.08 .
136 . 38 VAL N N 117.451 0.08 .
137 . 38 VAL H H 8.336 0.01 .
138 . 38 VAL CA C 68.905 0.08 .
139 . 38 VAL CB C 29.115 0.08 .
140 . 39 PRO CA C 66.039 0.08 .
141 . 39 PRO CB C 30.958 0.08 .
142 . 40 MET N N 113.142 0.08 .
143 . 40 MET H H 7.244 0.01 .
144 . 40 MET CA C 59.299 0.08 .
145 . 40 MET CB C 32.949 0.08 .
146 . 41 VAL N N 119.557 0.08 .
147 . 41 VAL H H 8.288 0.01 .
148 . 41 VAL CA C 66.389 0.08 .
149 . 41 VAL CB C 31.173 0.08 .
150 . 42 LYS N N 119.816 0.08 .
151 . 42 LYS H H 8.908 0.01 .
152 . 42 LYS CA C 60.574 0.08 .
153 . 42 LYS CB C 32.082 0.08 .
154 . 43 GLU N N 115.313 0.08 .
155 . 43 GLU H H 7.648 0.01 .
156 . 43 GLU CA C 59.914 0.08 .
157 . 43 GLU CB C 29.473 0.08 .
158 . 44 VAL N N 118.552 0.08 .
159 . 44 VAL H H 7.345 0.01 .
160 . 44 VAL CA C 66.784 0.08 .
161 . 44 VAL CB C 31.523 0.08 .
162 . 45 GLY N N 105.269 0.08 .
163 . 45 GLY H H 8.743 0.01 .
164 . 45 GLY CA C 48.044 0.08 .
165 . 46 LEU N N 120.399 0.08 .
166 . 46 LEU H H 8.856 0.01 .
167 . 46 LEU CA C 57.890 0.08 .
168 . 46 LEU CB C 41.309 0.08 .
169 . 47 ALA N N 121.695 0.08 .
170 . 47 ALA H H 7.861 0.01 .
171 . 47 ALA CA C 54.783 0.08 .
172 . 47 ALA CB C 17.176 0.08 .
173 . 48 LEU N N 119.978 0.08 .
174 . 48 LEU H H 8.599 0.01 .
175 . 48 LEU CA C 57.534 0.08 .
176 . 48 LEU CB C 40.681 0.08 .
177 . 49 ARG N N 121.274 0.08 .
178 . 49 ARG H H 8.654 0.01 .
179 . 49 ARG CA C 60.891 0.08 .
180 . 49 ARG CB C 29.736 0.08 .
181 . 50 THR N N 113.207 0.08 .
182 . 50 THR H H 8.109 0.01 .
183 . 50 THR CA C 66.503 0.08 .
184 . 50 THR CB C 68.807 0.08 .
185 . 51 LEU N N 119.492 0.08 .
186 . 51 LEU H H 7.446 0.01 .
187 . 51 LEU CA C 58.194 0.08 .
188 . 51 LEU CB C 40.877 0.08 .
189 . 52 LEU N N 116.868 0.08 .
190 . 52 LEU H H 9.031 0.01 .
191 . 52 LEU CA C 59.211 0.08 .
192 . 52 LEU CB C 40.791 0.08 .
193 . 53 ALA N N 119.946 0.08 .
194 . 53 ALA H H 8.592 0.01 .
195 . 53 ALA CA C 55.603 0.08 .
196 . 53 ALA CB C 17.788 0.08 .
197 . 54 THR N N 115.475 0.08 .
198 . 54 THR H H 8.199 0.01 .
199 . 54 THR CA C 66.160 0.08 .
200 . 54 THR CB C 68.546 0.08 .
201 . 55 VAL N N 122.505 0.08 .
202 . 55 VAL H H 8.515 0.01 .
203 . 55 VAL CA C 67.687 0.08 .
204 . 55 VAL CB C 31.325 0.08 .
205 . 56 ASP N N 119.881 0.08 .
206 . 56 ASP H H 8.535 0.01 .
207 . 56 ASP CA C 58.032 0.08 .
208 . 56 ASP CB C 40.367 0.08 .
209 . 57 GLU N N 115.410 0.08 .
210 . 57 GLU H H 7.836 0.01 .
211 . 57 GLU CA C 58.275 0.08 .
212 . 57 GLU CB C 29.848 0.08 .
213 . 58 SER N N 112.526 0.08 .
214 . 58 SER H H 7.821 0.01 .
215 . 58 SER CA C 60.022 0.08 .
216 . 58 SER CB C 64.084 0.08 .
217 . 59 LEU N N 120.626 0.08 .
218 . 59 LEU H H 7.579 0.01 .
219 . 59 LEU CA C 60.022 0.08 .
220 . 59 LEU CB C 39.623 0.08 .
221 . 60 PRO CA C 65.747 0.08 .
222 . 60 PRO CB C 31.917 0.08 .
223 . 61 VAL N N 108.152 0.08 .
224 . 61 VAL H H 7.496 0.01 .
225 . 61 VAL CA C 61.402 0.08 .
226 . 61 VAL CB C 31.781 0.08 .
227 . 62 LEU N N 120.788 0.08 .
228 . 62 LEU H H 7.913 0.01 .
229 . 62 LEU CA C 52.486 0.08 .
230 . 62 LEU CB C 41.301 0.08 .
231 . 64 ALA CA C 54.668 0.08 .
232 . 64 ALA CB C 17.774 0.08 .
233 . 65 SER CA C 60.493 0.08 .
234 . 66 THR N N 111.198 0.08 .
235 . 66 THR H H 8.170 0.01 .
236 . 66 THR CA C 62.842 0.08 .
237 . 66 THR CB C 70.856 0.08 .
238 . 67 HIS N N 119.298 0.08 .
239 . 67 HIS H H 7.682 0.01 .
240 . 67 HIS CA C 59.097 0.08 .
241 . 67 HIS CB C 31.085 0.08 .
242 . 68 ARG H H 8.775 0.01 .
243 . 68 ARG CA C 59.949 0.08 .
244 . 68 ARG CB C 29.088 0.08 .
245 . 68 ARG NE N 117.840 0.08 .
246 . 69 GLU N N 117.580 0.08 .
247 . 69 GLU H H 8.285 0.01 .
248 . 69 GLU CA C 59.655 0.08 .
249 . 69 GLU CB C 29.480 0.08 .
250 . 70 ILE N N 119.816 0.08 .
251 . 70 ILE H H 7.863 0.01 .
252 . 70 ILE CA C 65.986 0.08 .
253 . 70 ILE CB C 37.828 0.08 .
254 . 71 GLU N N 119.816 0.08 .
255 . 71 GLU H H 8.884 0.01 .
256 . 71 GLU CA C 60.021 0.08 .
257 . 71 GLU CB C 29.348 0.08 .
258 . 72 MET N N 116.479 0.08 .
259 . 72 MET H H 8.380 0.01 .
260 . 72 MET CA C 58.422 0.08 .
261 . 72 MET CB C 32.236 0.08 .
262 . 73 ALA N N 121.533 0.08 .
263 . 73 ALA H H 7.868 0.01 .
264 . 73 ALA CA C 54.852 0.08 .
265 . 73 ALA CB C 18.672 0.08 .
266 . 74 GLN N N 115.928 0.08 .
267 . 74 GLN H H 8.356 0.01 .
268 . 74 GLN CA C 59.880 0.08 .
269 . 74 GLN CB C 30.721 0.08 .
270 . 75 LYS N N 118.261 0.08 .
271 . 75 LYS H H 8.165 0.01 .
272 . 75 LYS CA C 59.887 0.08 .
273 . 75 LYS CB C 32.310 0.08 .
274 . 76 LEU N N 118.453 0.08 .
275 . 76 LEU H H 7.787 0.01 .
276 . 76 LEU CA C 57.654 0.08 .
277 . 76 LEU CB C 41.573 0.08 .
278 . 77 LEU N N 115.863 0.08 .
279 . 77 LEU H H 7.293 0.01 .
280 . 77 LEU CA C 57.980 0.08 .
281 . 77 LEU CB C 40.801 0.08 .
282 . 78 ASN N N 116.868 0.08 .
283 . 78 ASN H H 7.636 0.01 .
284 . 78 ASN CA C 55.909 0.08 .
285 . 78 ASN CB C 37.640 0.08 .
286 . 79 SER N N 115.861 0.08 .
287 . 79 SER H H 8.372 0.01 .
288 . 79 SER CA C 62.099 0.08 .
289 . 79 SER CB C 62.238 0.08 .
290 . 80 ASP N N 121.566 0.08 .
291 . 80 ASP H H 8.784 0.01 .
292 . 80 ASP CA C 55.943 0.08 .
293 . 80 ASP CB C 38.434 0.08 .
294 . 81 LEU N N 121.015 0.08 .
295 . 81 LEU H H 8.542 0.01 .
296 . 81 LEU CA C 57.391 0.08 .
297 . 81 LEU CB C 40.773 0.08 .
298 . 82 ALA N N 120.496 0.08 .
299 . 82 ALA H H 8.711 0.01 .
300 . 82 ALA CA C 55.760 0.08 .
301 . 82 ALA CB C 17.709 0.08 .
302 . 83 GLU N N 117.580 0.08 .
303 . 83 GLU H H 8.088 0.01 .
304 . 83 GLU CA C 59.007 0.08 .
305 . 83 GLU CB C 29.207 0.08 .
306 . 84 LEU N N 119.686 0.08 .
307 . 84 LEU H H 8.065 0.01 .
308 . 84 LEU CA C 59.080 0.08 .
309 . 84 LEU CB C 41.739 0.08 .
310 . 85 ILE N N 117.224 0.08 .
311 . 85 ILE H H 8.719 0.01 .
312 . 85 ILE CA C 66.094 0.08 .
313 . 85 ILE CB C 38.382 0.08 .
314 . 86 ASN N N 117.645 0.08 .
315 . 86 ASN H H 8.492 0.01 .
316 . 86 ASN CA C 56.755 0.08 .
317 . 86 ASN CB C 38.357 0.08 .
318 . 87 LYS N N 115.863 0.08 .
319 . 87 LYS H H 8.674 0.01 .
320 . 87 LYS CA C 57.607 0.08 .
321 . 87 LYS CB C 30.679 0.08 .
322 . 88 MET N N 120.691 0.08 .
323 . 88 MET H H 8.617 0.01 .
324 . 88 MET CA C 59.324 0.08 .
325 . 88 MET CB C 33.743 0.08 .
326 . 89 LYS N N 117.030 0.08 .
327 . 89 LYS H H 8.443 0.01 .
328 . 89 LYS CA C 59.846 0.08 .
329 . 89 LYS CB C 32.292 0.08 .
330 . 90 LEU N N 119.330 0.08 .
331 . 90 LEU H H 7.649 0.01 .
332 . 90 LEU CA C 58.193 0.08 .
333 . 90 LEU CB C 40.633 0.08 .
334 . 91 ALA N N 119.946 0.08 .
335 . 91 ALA H H 8.490 0.01 .
336 . 91 ALA CA C 56.027 0.08 .
337 . 91 ALA CB C 17.804 0.08 .
338 . 92 GLN N N 111.975 0.08 .
339 . 92 GLN H H 8.091 0.01 .
340 . 92 GLN CA C 58.656 0.08 .
341 . 92 GLN CB C 29.277 0.08 .
342 . 93 GLN N N 117.872 0.08 .
343 . 93 GLN H H 8.098 0.01 .
344 . 93 GLN CA C 57.997 0.08 .
345 . 93 GLN CB C 29.049 0.08 .
346 . 94 TYR N N 114.600 0.08 .
347 . 94 TYR H H 7.933 0.01 .
348 . 94 TYR CA C 58.497 0.08 .
349 . 94 TYR CB C 36.997 0.08 .
350 . 95 VAL N N 118.617 0.08 .
351 . 95 VAL H H 7.277 0.01 .
352 . 95 VAL CA C 63.452 0.08 .
353 . 95 VAL CB C 32.461 0.08 .
354 . 96 MET N N 116.576 0.08 .
355 . 96 MET H H 8.635 0.01 .
356 . 96 MET CA C 56.499 0.08 .
357 . 96 MET CB C 31.085 0.08 .
358 . 97 THR CA C 61.743 0.08 .
359 . 97 THR CB C 72.758 0.08 .
360 . 98 SER CA C 60.561 0.08 .
361 . 99 LEU N N 120.723 0.08 .
362 . 99 LEU H H 7.888 0.01 .
363 . 99 LEU CA C 56.119 0.08 .
364 . 99 LEU CB C 42.815 0.08 .
365 . 100 GLN N N 118.520 0.08 .
366 . 100 GLN H H 7.885 0.01 .
367 . 100 GLN CA C 60.622 0.08 .
368 . 100 GLN CB C 28.604 0.08 .
369 . 101 GLN N N 114.146 0.08 .
370 . 101 GLN H H 8.272 0.01 .
371 . 101 GLN CA C 58.639 0.08 .
372 . 101 GLN CB C 28.073 0.08 .
373 . 102 GLU N N 118.974 0.08 .
374 . 102 GLU H H 7.489 0.01 .
375 . 102 GLU CA C 58.563 0.08 .
376 . 102 GLU CB C 28.566 0.08 .
377 . 103 TYR N N 115.993 0.08 .
378 . 103 TYR H H 7.984 0.01 .
379 . 103 TYR CA C 62.166 0.08 .
380 . 103 TYR CB C 37.073 0.08 .
381 . 104 LYS N N 120.043 0.08 .
382 . 104 LYS H H 8.432 0.01 .
383 . 104 LYS CA C 60.728 0.08 .
384 . 104 LYS CB C 32.724 0.08 .
385 . 105 LYS N N 117.904 0.08 .
386 . 105 LYS H H 7.864 0.01 .
387 . 105 LYS CA C 60.161 0.08 .
388 . 105 LYS CB C 31.625 0.08 .
389 . 106 GLN N N 116.803 0.08 .
390 . 106 GLN H H 8.068 0.01 .
391 . 106 GLN CA C 59.309 0.08 .
392 . 106 GLN CB C 27.947 0.08 .
393 . 107 MET N N 120.334 0.08 .
394 . 107 MET H H 8.544 0.01 .
395 . 107 MET CA C 60.250 0.08 .
396 . 107 MET CB C 33.439 0.08 .
397 . 108 LEU N N 118.002 0.08 .
398 . 108 LEU H H 7.996 0.01 .
399 . 108 LEU CA C 58.486 0.08 .
400 . 108 LEU CB C 41.017 0.08 .
401 . 109 THR N N 116.123 0.08 .
402 . 109 THR H H 8.473 0.01 .
403 . 109 THR CA C 66.783 0.08 .
404 . 109 THR CB C 68.739 0.08 .
405 . 110 ALA N N 123.639 0.08 .
406 . 110 ALA H H 7.962 0.01 .
407 . 110 ALA CA C 54.869 0.08 .
408 . 110 ALA CB C 17.597 0.08 .
409 . 111 ALA N N 119.298 0.08 .
410 . 111 ALA H H 8.525 0.01 .
411 . 111 ALA CA C 54.889 0.08 .
412 . 111 ALA CB C 18.242 0.08 .
413 . 112 HIS N N 116.576 0.08 .
414 . 112 HIS H H 8.456 0.01 .
415 . 112 HIS CA C 59.985 0.08 .
416 . 112 HIS CB C 29.734 0.08 .
417 . 113 ALA N N 119.298 0.08 .
418 . 113 ALA H H 7.945 0.01 .
419 . 113 ALA CA C 55.234 0.08 .
420 . 113 ALA CB C 17.557 0.08 .
421 . 114 LEU N N 115.410 0.08 .
422 . 114 LEU H H 7.578 0.01 .
423 . 114 LEU CA C 58.066 0.08 .
424 . 114 LEU CB C 42.558 0.08 .
425 . 115 ALA N N 117.321 0.08 .
426 . 115 ALA H H 7.589 0.01 .
427 . 115 ALA CA C 55.314 0.08 .
428 . 115 ALA CB C 19.294 0.08 .
429 . 116 VAL N N 115.604 0.08 .
430 . 116 VAL H H 8.105 0.01 .
431 . 116 VAL CA C 66.689 0.08 .
432 . 116 VAL CB C 31.675 0.08 .
433 . 117 ASP N N 119.784 0.08 .
434 . 117 ASP H H 9.198 0.01 .
435 . 117 ASP CA C 56.751 0.08 .
436 . 117 ASP CB C 38.061 0.08 .
437 . 118 ALA N N 127.300 0.08 .
438 . 118 ALA H H 8.571 0.01 .
439 . 118 ALA CA C 55.528 0.08 .
440 . 118 ALA CB C 17.950 0.08 .
441 . 119 LYS N N 118.455 0.08 .
442 . 119 LYS H H 7.709 0.01 .
443 . 119 LYS CA C 59.374 0.08 .
444 . 119 LYS CB C 31.364 0.08 .
445 . 120 ASN N N 116.349 0.08 .
446 . 120 ASN H H 8.255 0.01 .
447 . 120 ASN CA C 56.914 0.08 .
448 . 120 ASN CB C 38.175 0.08 .
449 . 121 LEU N N 118.697 0.08 .
450 . 121 LEU H H 7.794 0.01 .
451 . 121 LEU CA C 58.207 0.08 .
452 . 121 LEU CB C 41.087 0.08 .
453 . 122 LEU N N 118.682 0.08 .
454 . 122 LEU H H 7.844 0.01 .
455 . 122 LEU CA C 58.207 0.08 .
456 . 122 LEU CB C 41.267 0.08 .
457 . 123 ASP N N 116.835 0.08 .
458 . 123 ASP H H 8.428 0.01 .
459 . 123 ASP CA C 58.069 0.08 .
460 . 123 ASP CB C 39.909 0.08 .
461 . 124 VAL N N 118.617 0.08 .
462 . 124 VAL H H 8.197 0.01 .
463 . 124 VAL CA C 66.464 0.08 .
464 . 124 VAL CB C 32.121 0.08 .
465 . 125 ILE N N 121.728 0.08 .
466 . 125 ILE H H 8.419 0.01 .
467 . 125 ILE CA C 64.989 0.08 .
468 . 125 ILE CB C 36.812 0.08 .
469 . 126 ASP N N 121.339 0.08 .
470 . 126 ASP H H 9.658 0.01 .
471 . 126 ASP CA C 57.960 0.08 .
472 . 126 ASP CB C 40.021 0.08 .
473 . 127 GLN N N 116.479 0.08 .
474 . 127 GLN H H 8.180 0.01 .
475 . 127 GLN CA C 58.865 0.08 .
476 . 127 GLN CB C 28.302 0.08 .
477 . 128 ALA N N 122.894 0.08 .
478 . 128 ALA H H 8.234 0.01 .
479 . 128 ALA CA C 55.547 0.08 .
480 . 128 ALA CB C 19.257 0.08 .
481 . 129 ARG N N 116.155 0.08 .
482 . 129 ARG H H 8.797 0.01 .
483 . 129 ARG CA C 59.530 0.08 .
484 . 129 ARG CB C 30.455 0.08 .
485 . 130 LEU N N 117.904 0.08 .
486 . 130 LEU H H 8.083 0.01 .
487 . 130 LEU CA C 57.558 0.08 .
488 . 130 LEU CB C 41.637 0.08 .
489 . 131 LYS N N 118.228 0.08 .
490 . 131 LYS H H 7.897 0.01 .
491 . 131 LYS CA C 58.231 0.08 .
492 . 131 LYS CB C 32.312 0.08 .
493 . 132 MET N N 116.738 0.08 .
494 . 132 MET H H 7.883 0.01 .
495 . 132 MET CA C 57.699 0.08 .
496 . 132 MET CB C 33.291 0.08 .
497 . 133 ILE N N 117.354 0.08 .
498 . 133 ILE H H 7.960 0.01 .
499 . 133 ILE CA C 62.844 0.08 .
500 . 133 ILE CB C 38.551 0.08 .
501 . 134 SER N N 115.507 0.08 .
502 . 134 SER H H 8.164 0.01 .
503 . 134 SER CA C 59.578 0.08 .
504 . 134 SER CB C 63.628 0.08 .
505 . 135 GLN N N 119.138 0.08 .
506 . 135 GLN H H 8.152 0.01 .
507 . 135 GLN CA C 56.164 0.08 .
508 . 135 GLN CB C 29.230 0.08 .
509 . 136 SER CA C 58.523 0.08 .
510 . 136 SER CB C 64.080 0.08 .
511 . 137 ARG N N 121.825 0.08 .
512 . 137 ARG H H 8.177 0.01 .
513 . 137 ARG CA C 54.029 0.08 .
514 . 137 ARG CB C 30.501 0.08 .
515 . 138 PRO CA C 63.558 0.08 .
516 . 138 PRO CB C 32.040 0.08 .
517 . 139 HIS N N 122.149 0.08 .
518 . 139 HIS H H 7.948 0.01 .
519 . 139 HIS CA C 57.256 0.08 .
520 . 139 HIS CB C 30.647 0.08 .
stop_
save_