data_30196
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the CaM34 with the iNOS CaM binding domain peptide
;
_BMRB_accession_number 30196
_BMRB_flat_file_name bmr30196.str
_Entry_type original
_Submission_date 2016-10-19
_Accession_date 2016-10-19
_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 Piazza M. . .
2 Dieckmann T. . .
3 Guillemette J. G. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 839
"13C chemical shifts" 438
"15N chemical shifts" 161
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-12-12 update BMRB 'update entry citation'
2017-09-25 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
30195 'Solution structure of the calcium deficient mutant calmodulin CaM1234'
stop_
_Original_release_date 2016-11-28
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural Consequences of Calmodulin EF Hand Mutations.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 28121131
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Piazza Michael . .
2 Taiakina Valentina . .
3 Dieckmann Thorsten . .
4 Guillemette 'J Guy' G. .
stop_
_Journal_abbreviation Biochemistry
_Journal_name_full Biochemistry
_Journal_volume 56
_Journal_issue 7
_Journal_ISSN 1520-4995
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 944
_Page_last 956
_Year 2017
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Calmodulin, Nitric oxide synthase, inducible (E.C.1.14.13.39)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
entity_2 $entity_2
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 Calmodulin
_Molecular_mass 16633.330
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 148
_Mol_residue_sequence
;
ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFAKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREAAIDGDGQVNYEE
FVQMMTAK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR
6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA
11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA
16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP
21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY
26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS
31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL
36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY
41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU
46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP
51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL
56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN
61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE
66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR
71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS
76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP
81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE
86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG
91 91 VAL 92 92 PHE 93 93 ALA 94 94 LYS 95 95 ASP
96 96 GLY 97 97 ASN 98 98 GLY 99 99 TYR 100 100 ILE
101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU
106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR
111 111 ASN 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS
116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU
121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE
126 126 ARG 127 127 GLU 128 128 ALA 129 129 ALA 130 130 ILE
131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN
136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU
141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET
146 146 THR 147 147 ALA 148 148 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_entity_2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Nitric oxide synthase, inducible'
_Molecular_mass 3402.371
_Mol_thiol_state .
_Details .
_Residue_count 29
_Mol_residue_sequence
;
AGHMRPKRREIPLKVLVKAV
LFACMLMRK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 503 ALA 2 504 GLY 3 505 HIS 4 506 MET 5 507 ARG
6 508 PRO 7 509 LYS 8 510 ARG 9 511 ARG 10 512 GLU
11 513 ILE 12 514 PRO 13 515 LEU 14 516 LYS 15 517 VAL
16 518 LEU 17 519 VAL 18 520 LYS 19 521 ALA 20 522 VAL
21 523 LEU 22 524 PHE 23 525 ALA 24 526 CYS 25 527 MET
26 528 LEU 27 529 MET 28 530 ARG 29 531 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_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 Human 9606 Eukaryota Metazoa Homo sapiens 'CALM1, CALM, CAM, CAM1, CALM2, CAM2, CAMB, CALM3, CALML2, CAM3, CAMC, CAMIII'
$entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'NOS2, NOS2A'
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' . Escherichia coli . .
$entity_2 'recombinant technology' . Escherichia coli . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1 mM [U-99% 13C; U-99% 15N] CaM34, 1 mM iNOS CaM binding domain peptide, 100 mM potassium chloride, 10 mM Calcium chloride, 0.2 mM sodium azide, 90% H2O/10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1 mM '[U-99% 13C; U-99% 15N]'
'Calcium chloride' 10 mM 'natural abundance'
$entity_2 1 mM 'natural abundance'
'potassium chloride' 100 mM 'natural abundance'
'sodium azide' 0.2 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'peak picking'
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
'structure calculation'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_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_HCCH-TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_2D_1H-15N_double_filtered_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N double filtered NOESY'
_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' 100 . mM
pH 6.0 . 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
DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953
DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912
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_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCA'
'3D HCCH-TOCSY'
'3D 1H-13C NOESY'
'3D 1H-15N NOESY'
'2D 1H-15N double filtered NOESY'
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 2 ASP H H 8.499 0.020 1
2 2 2 ASP HA H 4.576 0.020 1
3 2 2 ASP HB2 H 2.507 0.020 1
4 2 2 ASP HB3 H 2.507 0.020 2
5 2 2 ASP CA C 51.929 0.3 1
6 2 2 ASP CB C 38.505 0.3 1
7 2 2 ASP N N 120.330 0.3 1
8 3 3 GLN H H 8.160 0.020 1
9 3 3 GLN HA H 4.198 0.020 1
10 3 3 GLN HB2 H 1.889 0.020 1
11 3 3 GLN HB3 H 1.778 0.020 2
12 3 3 GLN HG2 H 2.165 0.020 1
13 3 3 GLN HG3 H 2.165 0.020 1
14 3 3 GLN CA C 52.768 0.3 1
15 3 3 GLN CB C 26.518 0.3 1
16 3 3 GLN CG C 30.850 0.3 1
17 3 3 GLN N N 119.720 0.3 1
18 4 4 LEU H H 7.500 0.020 1
19 4 4 LEU HA H 4.448 0.020 1
20 4 4 LEU HB2 H 1.528 0.020 2
21 4 4 LEU HB3 H 1.353 0.020 2
22 4 4 LEU HG H 1.436 0.020 1
23 4 4 LEU HD1 H 0.733 0.020 1
24 4 4 LEU HD2 H 0.680 0.020 1
25 4 4 LEU CA C 51.584 0.3 1
26 4 4 LEU CB C 40.830 0.3 1
27 4 4 LEU CG C 23.770 0.3 1
28 4 4 LEU CD1 C 20.686 0.3 1
29 4 4 LEU N N 120.693 0.3 1
30 5 5 THR H H 8.559 0.020 1
31 5 5 THR HA H 4.277 0.020 1
32 5 5 THR HB H 4.618 0.020 1
33 5 5 THR HG2 H 1.161 0.020 1
34 5 5 THR CA C 57.873 0.3 1
35 5 5 THR CB C 68.444 0.3 1
36 5 5 THR CG2 C 18.858 0.3 1
37 5 5 THR N N 112.728 0.3 1
38 6 6 GLU H H 8.854 0.020 1
39 6 6 GLU HA H 3.847 0.020 1
40 6 6 GLU HB2 H 1.876 0.020 1
41 6 6 GLU HB3 H 1.876 0.020 1
42 6 6 GLU HG2 H 2.165 0.020 1
43 6 6 GLU HG3 H 2.165 0.020 1
44 6 6 GLU CA C 57.481 0.3 1
45 6 6 GLU CB C 26.512 0.3 1
46 6 6 GLU CG C 33.586 0.3 1
47 6 6 GLU N N 120.254 0.3 1
48 7 7 GLU H H 8.512 0.020 1
49 7 7 GLU HA H 3.883 0.020 1
50 7 7 GLU HB2 H 1.878 0.020 1
51 7 7 GLU HB3 H 1.878 0.020 1
52 7 7 GLU HG2 H 2.166 0.020 1
53 7 7 GLU HG3 H 2.166 0.020 1
54 7 7 GLU CA C 57.176 0.3 1
55 7 7 GLU CB C 26.054 0.3 1
56 7 7 GLU CG C 33.593 0.3 1
57 7 7 GLU N N 119.498 0.3 1
58 8 8 GLN H H 7.540 0.020 1
59 8 8 GLN HA H 3.870 0.020 1
60 8 8 GLN HB2 H 1.778 0.020 2
61 8 8 GLN HB3 H 1.887 0.020 2
62 8 8 GLN HG2 H 2.165 0.020 1
63 8 8 GLN HG3 H 2.165 0.020 1
64 8 8 GLN CA C 56.411 0.3 1
65 8 8 GLN CB C 26.625 0.3 1
66 8 8 GLN CG C 33.358 0.3 1
67 8 8 GLN N N 120.119 0.3 1
68 9 9 ILE H H 8.383 0.020 1
69 9 9 ILE HA H 3.634 0.020 1
70 9 9 ILE HB H 1.804 0.020 1
71 9 9 ILE HG12 H 0.883 0.020 1
72 9 9 ILE HG13 H 0.883 0.020 1
73 9 9 ILE HG2 H 0.936 0.020 1
74 9 9 ILE HD1 H 0.662 0.020 1
75 9 9 ILE CA C 64.046 0.3 1
76 9 9 ILE CB C 34.954 0.3 1
77 9 9 ILE CG1 C 27.539 0.3 1
78 9 9 ILE CG2 C 14.518 0.3 1
79 9 9 ILE CD1 C 10.291 0.3 1
80 9 9 ILE N N 120.115 0.3 1
81 10 10 ALA H H 7.935 0.020 1
82 10 10 ALA HA H 3.929 0.020 1
83 10 10 ALA HB H 1.345 0.020 1
84 10 10 ALA CA C 52.657 0.3 1
85 10 10 ALA CB C 14.975 0.3 1
86 10 10 ALA N N 121.405 0.3 1
87 11 11 GLU H H 7.671 0.020 1
88 11 11 GLU HA H 3.890 0.020 1
89 11 11 GLU HB2 H 1.778 0.020 2
90 11 11 GLU HB3 H 1.883 0.020 2
91 11 11 GLU HG2 H 2.165 0.020 1
92 11 11 GLU HG3 H 2.165 0.020 1
93 11 11 GLU CA C 56.673 0.3 1
94 11 11 GLU CB C 26.968 0.3 1
95 11 11 GLU CG C 33.472 0.3 1
96 11 11 GLU N N 118.499 0.3 1
97 12 12 PHE H H 8.227 0.020 1
98 12 12 PHE HA H 3.152 0.020 1
99 12 12 PHE HB2 H 2.173 0.020 1
100 12 12 PHE HB3 H 2.173 0.020 1
101 12 12 PHE CA C 59.501 0.3 1
102 12 12 PHE CB C 35.644 0.3 1
103 12 12 PHE N N 117.342 0.3 1
104 13 13 LYS H H 8.917 0.020 1
105 13 13 LYS HA H 3.923 0.020 1
106 13 13 LYS HB2 H 1.883 0.020 1
107 13 13 LYS HB3 H 1.883 0.020 1
108 13 13 LYS HG2 H 1.527 0.020 1
109 13 13 LYS HG3 H 1.527 0.020 1
110 13 13 LYS HD2 H 1.761 0.020 1
111 13 13 LYS HD3 H 1.761 0.020 1
112 13 13 LYS HE2 H 2.517 0.020 1
113 13 13 LYS HE3 H 2.517 0.020 1
114 13 13 LYS CA C 57.154 0.3 1
115 13 13 LYS CB C 26.169 0.3 1
116 13 13 LYS CG C 24.455 0.3 1
117 13 13 LYS CD C 29.824 0.3 1
118 13 13 LYS CE C 39.419 0.3 1
119 13 13 LYS N N 122.871 0.3 1
120 14 14 GLU H H 7.780 0.020 1
121 14 14 GLU HA H 3.858 0.020 1
122 14 14 GLU HB2 H 1.778 0.020 2
123 14 14 GLU HB3 H 1.883 0.020 2
124 14 14 GLU HG2 H 2.175 0.020 1
125 14 14 GLU HG3 H 2.175 0.020 1
126 14 14 GLU CA C 56.471 0.3 1
127 14 14 GLU CB C 26.662 0.3 1
128 14 14 GLU CG C 33.479 0.3 1
129 14 14 GLU N N 120.129 0.3 1
130 15 15 ALA H H 8.102 0.020 1
131 15 15 ALA HA H 3.867 0.020 1
132 15 15 ALA HB H 1.653 0.020 1
133 15 15 ALA CA C 52.869 0.3 1
134 15 15 ALA CB C 15.232 0.3 1
135 15 15 ALA N N 123.561 0.3 1
136 16 16 PHE H H 8.425 0.020 1
137 16 16 PHE HA H 3.132 0.020 1
138 16 16 PHE HB2 H 2.135 0.020 1
139 16 16 PHE HB3 H 2.135 0.020 1
140 16 16 PHE CA C 58.983 0.3 1
141 16 16 PHE CB C 36.739 0.3 1
142 16 16 PHE N N 118.907 0.3 1
143 17 17 SER H H 7.890 0.020 1
144 17 17 SER HA H 3.877 0.020 1
145 17 17 SER HB2 H 3.923 0.020 1
146 17 17 SER HB3 H 3.923 0.020 1
147 17 17 SER CA C 58.999 0.3 1
148 17 17 SER CB C 60.436 0.3 1
149 17 17 SER N N 114.729 0.3 1
150 18 18 LEU H H 7.180 0.020 1
151 18 18 LEU HA H 3.785 0.020 1
152 18 18 LEU HB2 H 1.600 0.020 1
153 18 18 LEU HB3 H 1.600 0.020 1
154 18 18 LEU HG H 1.528 0.020 1
155 18 18 LEU HD1 H 0.472 0.020 1
156 18 18 LEU HD2 H 0.611 0.020 1
157 18 18 LEU CA C 54.620 0.3 1
158 18 18 LEU CB C 38.374 0.3 1
159 18 18 LEU CG C 23.668 0.3 1
160 18 18 LEU CD1 C 20.686 0.3 1
161 18 18 LEU CD2 C 22.414 0.3 1
162 18 18 LEU N N 120.066 0.3 1
163 19 19 PHE H H 6.993 0.020 1
164 19 19 PHE HA H 3.949 0.020 1
165 19 19 PHE HB2 H 2.801 0.020 1
166 19 19 PHE HB3 H 2.801 0.020 1
167 19 19 PHE CA C 56.370 0.3 1
168 19 19 PHE CB C 39.172 0.3 1
169 19 19 PHE N N 112.537 0.3 1
170 20 20 ASP H H 7.436 0.020 1
171 20 20 ASP HA H 4.447 0.020 1
172 20 20 ASP HB2 H 2.489 0.020 1
173 20 20 ASP HB3 H 2.489 0.020 1
174 20 20 ASP CA C 49.638 0.3 1
175 20 20 ASP CB C 37.106 0.3 1
176 20 20 ASP N N 117.217 0.3 1
177 21 21 LYS H H 7.505 0.020 1
178 21 21 LYS HA H 3.811 0.020 1
179 21 21 LYS HB2 H 1.699 0.020 1
180 21 21 LYS HB3 H 1.699 0.020 1
181 21 21 LYS HG2 H 1.331 0.020 2
182 21 21 LYS HG3 H 1.233 0.020 2
183 21 21 LYS HD2 H 1.491 0.020 1
184 21 21 LYS HD3 H 1.491 0.020 1
185 21 21 LYS HE2 H 2.816 0.020 1
186 21 21 LYS HE3 H 2.816 0.020 1
187 21 21 LYS CA C 55.529 0.3 1
188 21 21 LYS CB C 29.596 0.3 1
189 21 21 LYS CG C 21.714 0.3 1
190 21 21 LYS CD C 26.176 0.3 1
191 21 21 LYS CE C 39.190 0.3 1
192 21 21 LYS N N 124.296 0.3 1
193 22 22 ASP H H 7.825 0.020 1
194 22 22 ASP HA H 4.421 0.020 1
195 22 22 ASP HB2 H 2.485 0.020 2
196 22 22 ASP HB3 H 2.880 0.020 2
197 22 22 ASP CA C 50.061 0.3 1
198 22 22 ASP CB C 36.897 0.3 1
199 22 22 ASP N N 113.736 0.3 1
200 23 23 GLY H H 7.504 0.020 1
201 23 23 GLY HA2 H 3.713 0.020 1
202 23 23 GLY HA3 H 3.713 0.020 1
203 23 23 GLY CA C 44.487 0.3 1
204 23 23 GLY N N 109.075 0.3 1
205 24 24 ASP H H 8.304 0.020 1
206 24 24 ASP HA H 4.309 0.020 1
207 24 24 ASP HB2 H 2.863 0.020 1
208 24 24 ASP HB3 H 2.863 0.020 2
209 24 24 ASP C C 174.572 0.3 1
210 24 24 ASP CA C 50.917 0.3 1
211 24 24 ASP CB C 37.683 0.3 1
212 24 24 ASP N N 120.749 0.3 1
213 25 25 GLY H H 10.341 0.020 1
214 25 25 GLY HA2 H 3.529 0.020 1
215 25 25 GLY HA3 H 3.529 0.020 2
216 25 25 GLY CA C 42.602 0.3 1
217 25 25 GLY N N 112.474 0.3 1
218 26 26 THR H H 8.010 0.020 1
219 26 26 THR HA H 5.299 0.020 1
220 26 26 THR HB H 3.666 0.020 1
221 26 26 THR HG2 H 0.866 0.020 1
222 26 26 THR CA C 56.878 0.3 1
223 26 26 THR CB C 70.031 0.3 1
224 26 26 THR CG2 C 18.972 0.3 1
225 26 26 THR N N 111.838 0.3 1
226 27 27 ILE H H 9.735 0.020 1
227 27 27 ILE HA H 4.650 0.020 1
228 27 27 ILE HB H 1.594 0.020 1
229 27 27 ILE HG12 H 0.787 0.020 1
230 27 27 ILE HG13 H 0.787 0.020 2
231 27 27 ILE HG2 H 0.977 0.020 1
232 27 27 ILE HD1 H 0.026 0.020 1
233 27 27 ILE CA C 58.255 0.3 1
234 27 27 ILE CB C 37.133 0.3 1
235 27 27 ILE CG1 C 14.890 0.3 1
236 27 27 ILE CG2 C 24.348 0.3 1
237 27 27 ILE CD1 C 11.352 0.3 1
238 27 27 ILE N N 126.257 0.3 1
239 28 28 THR H H 8.315 0.020 1
240 28 28 THR HA H 4.651 0.020 1
241 28 28 THR HB H 3.838 0.020 1
242 28 28 THR HG2 H 0.952 0.020 1
243 28 28 THR CA C 56.878 0.3 1
244 28 28 THR CB C 70.009 0.3 1
245 28 28 THR CG2 C 19.543 0.3 1
246 28 28 THR N N 116.303 0.3 1
247 29 29 THR H H 9.049 0.020 1
248 29 29 THR HA H 3.621 0.020 1
249 29 29 THR HB H 4.054 0.020 1
250 29 29 THR HG2 H 1.121 0.020 1
251 29 29 THR CA C 63.742 0.3 1
252 29 29 THR CB C 65.160 0.3 1
253 29 29 THR CG2 C 20.586 0.3 1
254 29 29 THR N N 112.277 0.3 1
255 30 30 LYS H H 7.447 0.020 1
256 30 30 LYS HA H 3.949 0.020 1
257 30 30 LYS HB2 H 1.692 0.020 1
258 30 30 LYS HB3 H 1.692 0.020 1
259 30 30 LYS HG2 H 1.256 0.020 2
260 30 30 LYS HG3 H 1.331 0.020 2
261 30 30 LYS HD3 H 1.502 0.020 1
262 30 30 LYS HE2 H 2.827 0.020 1
263 30 30 LYS CA C 56.539 0.3 1
264 30 30 LYS CB C 29.906 0.3 1
265 30 30 LYS CG C 22.171 0.3 1
266 30 30 LYS CD C 26.397 0.3 1
267 30 30 LYS CE C 39.304 0.3 1
268 30 30 LYS N N 120.776 0.3 1
269 31 31 GLU H H 7.521 0.020 1
270 31 31 GLU HA H 3.906 0.020 1
271 31 31 GLU HB2 H 1.897 0.020 1
272 31 31 GLU HB3 H 1.897 0.020 2
273 31 31 GLU HG2 H 2.164 0.020 1
274 31 31 GLU HG3 H 2.164 0.020 1
275 31 31 GLU CA C 56.677 0.3 1
276 31 31 GLU CB C 27.082 0.3 1
277 31 31 GLU CG C 33.593 0.3 1
278 31 31 GLU N N 121.064 0.3 1
279 32 32 LEU H H 8.687 0.020 1
280 32 32 LEU HA H 4.057 0.020 1
281 32 32 LEU HB2 H 1.705 0.020 1
282 32 32 LEU HB3 H 1.705 0.020 1
283 32 32 LEU HG H 1.530 0.020 1
284 32 32 LEU HD1 H 0.702 0.020 1
285 32 32 LEU HD2 H 0.702 0.020 1
286 32 32 LEU CA C 55.394 0.3 1
287 32 32 LEU CB C 39.852 0.3 1
288 32 32 LEU CG C 23.892 0.3 1
289 32 32 LEU CD1 C 20.814 0.3 1
290 32 32 LEU N N 120.376 0.3 1
291 33 33 GLY H H 8.697 0.020 1
292 33 33 GLY HA2 H 3.851 0.020 2
293 33 33 GLY HA3 H 3.378 0.020 2
294 33 33 GLY CA C 45.733 0.3 1
295 33 33 GLY N N 105.863 0.3 1
296 34 34 THR H H 7.747 0.020 1
297 34 34 THR HA H 3.779 0.020 1
298 34 34 THR HB H 4.162 0.020 1
299 34 34 THR HG2 H 1.105 0.020 1
300 34 34 THR CA C 64.259 0.3 1
301 34 34 THR CB C 66.033 0.3 1
302 34 34 THR CG2 C 18.515 0.3 1
303 34 34 THR N N 117.298 0.3 1
304 35 35 VAL H H 7.243 0.020 1
305 35 35 VAL HA H 3.405 0.020 1
306 35 35 VAL HB H 1.889 0.020 1
307 35 35 VAL HG1 H 0.295 0.020 1
308 35 35 VAL HG2 H 0.721 0.020 1
309 35 35 VAL CA C 64.214 0.3 1
310 35 35 VAL CB C 28.715 0.3 1
311 35 35 VAL CG1 C 17.740 0.3 1
312 35 35 VAL CG2 C 20.115 0.3 1
313 35 35 VAL N N 121.563 0.3 1
314 36 36 MET H H 8.458 0.020 1
315 36 36 MET HA H 3.901 0.020 1
316 36 36 MET HB2 H 1.891 0.020 1
317 36 36 MET HB3 H 1.891 0.020 1
318 36 36 MET HG2 H 2.160 0.020 1
319 36 36 MET HG3 H 2.160 0.020 1
320 36 36 MET CA C 56.269 0.3 1
321 36 36 MET CB C 26.270 0.3 1
322 36 36 MET CG C 33.472 0.3 1
323 36 36 MET N N 117.400 0.3 1
324 37 37 ARG H H 8.323 0.020 1
325 37 37 ARG HA H 3.890 0.020 1
326 37 37 ARG HB2 H 1.759 0.020 1
327 37 37 ARG HB3 H 1.759 0.020 1
328 37 37 ARG HG2 H 1.515 0.020 1
329 37 37 ARG HG3 H 1.515 0.020 1
330 37 37 ARG HD2 H 3.017 0.020 1
331 37 37 ARG HD3 H 3.017 0.020 1
332 37 37 ARG CA C 56.337 0.3 1
333 37 37 ARG CB C 27.317 0.3 1
334 37 37 ARG CG C 24.922 0.3 1
335 37 37 ARG CD C 40.904 0.3 1
336 37 37 ARG N N 118.303 0.3 1
337 38 38 SER H H 7.753 0.020 1
338 38 38 SER HA H 3.936 0.020 1
339 38 38 SER HB2 H 3.929 0.020 1
340 38 38 SER HB3 H 3.929 0.020 1
341 38 38 SER CA C 59.635 0.3 1
342 38 38 SER CB C 60.376 0.3 1
343 38 38 SER N N 119.141 0.3 1
344 39 39 LEU H H 7.248 0.020 1
345 39 39 LEU HA H 4.112 0.020 1
346 39 39 LEU HB2 H 1.575 0.020 1
347 39 39 LEU HB3 H 1.575 0.020 1
348 39 39 LEU HG H 1.528 0.020 1
349 39 39 LEU HD1 H 0.570 0.020 1
350 39 39 LEU HD2 H 0.445 0.020 1
351 39 39 LEU CA C 51.438 0.3 1
352 39 39 LEU CB C 38.391 0.3 1
353 39 39 LEU CG C 24.067 0.3 1
354 39 39 LEU CD1 C 23.359 0.3 1
355 39 39 LEU CD2 C 20.527 0.3 1
356 39 39 LEU N N 117.995 0.3 1
357 40 40 GLY H H 7.626 0.020 1
358 40 40 GLY HA2 H 4.071 0.020 1
359 40 40 GLY HA3 H 4.071 0.020 2
360 40 40 GLY CA C 42.872 0.3 1
361 40 40 GLY N N 106.739 0.3 1
362 41 41 GLN H H 7.755 0.020 1
363 41 41 GLN HA H 4.269 0.020 1
364 41 41 GLN HB2 H 1.742 0.020 1
365 41 41 GLN HB3 H 1.742 0.020 1
366 41 41 GLN HG2 H 1.989 0.020 1
367 41 41 GLN HG3 H 1.989 0.020 1
368 41 41 GLN CA C 50.853 0.3 1
369 41 41 GLN CB C 27.759 0.3 1
370 41 41 GLN CG C 30.395 0.3 1
371 41 41 GLN N N 118.046 0.3 1
372 42 42 ASN H H 8.540 0.020 1
373 42 42 ASN HA H 5.013 0.020 1
374 42 42 ASN HB2 H 2.606 0.020 1
375 42 42 ASN HB3 H 2.329 0.020 2
376 42 42 ASN CA C 48.562 0.3 1
377 42 42 ASN CB C 36.318 0.3 1
378 42 42 ASN N N 115.940 0.3 1
379 44 44 THR H H 8.663 0.020 1
380 44 44 THR HA H 4.277 0.020 1
381 44 44 THR HB H 4.625 0.020 1
382 44 44 THR HG2 H 1.154 0.020 1
383 44 44 THR CA C 57.851 0.3 1
384 44 44 THR CB C 68.317 0.3 1
385 44 44 THR CG2 C 18.858 0.3 1
386 44 44 THR N N 112.937 0.3 1
387 45 45 GLU H H 8.651 0.020 1
388 45 45 GLU HA H 3.896 0.020 1
389 45 45 GLU HB2 H 1.876 0.020 1
390 45 45 GLU HB3 H 1.876 0.020 1
391 45 45 GLU HG2 H 2.165 0.020 1
392 45 45 GLU HG3 H 2.165 0.020 1
393 45 45 GLU CA C 57.245 0.3 1
394 45 45 GLU CB C 26.276 0.3 1
395 45 45 GLU CG C 33.582 0.3 1
396 45 45 GLU N N 120.439 0.3 1
397 46 46 ALA H H 8.109 0.020 1
398 46 46 ALA HA H 3.923 0.020 1
399 46 46 ALA HB H 1.220 0.020 1
400 46 46 ALA CA C 52.316 0.3 1
401 46 46 ALA CB C 15.089 0.3 1
402 46 46 ALA N N 120.660 0.3 1
403 47 47 GLU H H 7.532 0.020 1
404 47 47 GLU HA H 3.877 0.020 1
405 47 47 GLU HB2 H 1.878 0.020 2
406 47 47 GLU HB3 H 1.772 0.020 2
407 47 47 GLU HG2 H 2.165 0.020 1
408 47 47 GLU HG3 H 2.165 0.020 1
409 47 47 GLU CA C 56.508 0.3 1
410 47 47 GLU CB C 26.632 0.3 1
411 47 47 GLU CG C 33.586 0.3 1
412 47 47 GLU N N 118.571 0.3 1
413 48 48 LEU H H 8.232 0.020 1
414 48 48 LEU HA H 4.059 0.020 1
415 48 48 LEU HB2 H 1.699 0.020 1
416 48 48 LEU HB3 H 1.699 0.020 1
417 48 48 LEU HG H 1.679 0.020 1
418 48 48 LEU HD1 H 0.702 0.020 1
419 48 48 LEU HD2 H 0.780 0.020 1
420 48 48 LEU CA C 55.327 0.3 1
421 48 48 LEU CB C 39.568 0.3 1
422 48 48 LEU CG C 29.596 0.3 1
423 48 48 LEU CD1 C 23.656 0.3 1
424 48 48 LEU CD2 C 21.160 0.3 1
425 48 48 LEU N N 120.085 0.3 1
426 49 49 GLN H H 7.938 0.020 1
427 49 49 GLN HA H 3.913 0.020 1
428 49 49 GLN HB2 H 1.889 0.020 1
429 49 49 GLN HB3 H 1.889 0.020 1
430 49 49 GLN HG2 H 2.166 0.020 1
431 49 49 GLN HG3 H 2.166 0.020 1
432 49 49 GLN CA C 55.927 0.3 1
433 49 49 GLN CB C 27.145 0.3 1
434 49 49 GLN CG C 33.479 0.3 1
435 49 49 GLN N N 118.111 0.3 1
436 50 50 ASP H H 7.923 0.020 1
437 50 50 ASP HA H 4.021 0.020 1
438 50 50 ASP HB2 H 2.480 0.020 1
439 50 50 ASP CA C 54.953 0.3 1
440 50 50 ASP CB C 37.278 0.3 1
441 50 50 ASP CG C 33.593 0.3 1
442 50 50 ASP N N 119.876 0.3 1
443 51 51 MET H H 7.913 0.020 1
444 51 51 MET HA H 3.847 0.020 1
445 51 51 MET HB2 H 2.394 0.020 2
446 51 51 MET HB3 H 2.650 0.020 2
447 51 51 MET HG2 H 1.743 0.020 1
448 51 51 MET HG3 H 1.743 0.020 1
449 51 51 MET CA C 56.976 0.3 1
450 51 51 MET CB C 30.374 0.3 1
451 51 51 MET CG C 29.831 0.3 1
452 51 51 MET N N 119.513 0.3 1
453 52 52 ILE H H 7.681 0.020 1
454 52 52 ILE HA H 3.348 0.020 1
455 52 52 ILE HB H 1.868 0.020 1
456 52 52 ILE HG12 H 0.568 0.020 2
457 52 52 ILE HG13 H 0.515 0.020 2
458 52 52 ILE HG2 H 1.482 0.020 1
459 52 52 ILE HD1 H 0.547 0.020 1
460 52 52 ILE CA C 61.675 0.3 1
461 52 52 ILE CB C 33.822 0.3 1
462 52 52 ILE CG1 C 13.604 0.3 1
463 52 52 ILE CG2 C 26.054 0.3 1
464 52 52 ILE CD1 C 8.921 0.3 1
465 52 52 ILE N N 116.864 0.3 1
466 53 53 ASN H H 8.202 0.020 1
467 53 53 ASN HA H 4.263 0.020 1
468 53 53 ASN HB2 H 2.826 0.020 2
469 53 53 ASN HB3 H 2.730 0.020 2
470 53 53 ASN CA C 52.970 0.3 1
471 53 53 ASN CB C 35.078 0.3 1
472 53 53 ASN N N 117.493 0.3 1
473 54 54 GLU H H 7.362 0.020 1
474 54 54 GLU HA H 3.870 0.020 1
475 54 54 GLU HB2 H 1.889 0.020 1
476 54 54 GLU HB3 H 1.889 0.020 1
477 54 54 GLU HG2 H 2.171 0.020 1
478 54 54 GLU HG3 H 2.171 0.020 1
479 54 54 GLU CA C 55.798 0.3 1
480 54 54 GLU CB C 26.857 0.3 1
481 54 54 GLU CG C 33.244 0.3 1
482 54 54 GLU N N 116.857 0.3 1
483 55 55 VAL H H 7.147 0.020 1
484 55 55 VAL HA H 3.987 0.020 1
485 55 55 VAL HB H 1.910 0.020 1
486 55 55 VAL HG1 H 0.930 0.020 1
487 55 55 VAL HG2 H 0.891 0.020 1
488 55 55 VAL CA C 58.727 0.3 1
489 55 55 VAL CB C 30.738 0.3 1
490 55 55 VAL CG1 C 20.343 0.3 1
491 55 55 VAL CG2 C 19.519 0.3 1
492 55 55 VAL N N 114.264 0.3 1
493 56 56 ASP H H 7.860 0.020 1
494 56 56 ASP HA H 4.435 0.020 1
495 56 56 ASP HB2 H 2.506 0.020 2
496 56 56 ASP HB3 H 2.368 0.020 2
497 56 56 ASP CA C 51.356 0.3 1
498 56 56 ASP CB C 38.364 0.3 1
499 56 56 ASP N N 119.756 0.3 1
500 57 57 ALA H H 8.115 0.020 1
501 57 57 ALA HA H 4.080 0.020 1
502 57 57 ALA HB H 1.345 0.020 1
503 57 57 ALA CA C 51.183 0.3 1
504 57 57 ALA CB C 16.942 0.3 1
505 57 57 ALA N N 131.417 0.3 1
506 58 58 ASP H H 8.120 0.020 1
507 58 58 ASP HA H 4.434 0.020 1
508 58 58 ASP HB2 H 2.873 0.020 2
509 58 58 ASP HB3 H 2.485 0.020 2
510 58 58 ASP CA C 50.008 0.3 1
511 58 58 ASP CB C 36.897 0.3 1
512 58 58 ASP N N 114.151 0.3 1
513 59 59 GLY H H 7.484 0.020 1
514 59 59 GLY HA2 H 3.717 0.020 1
515 59 59 GLY HA3 H 3.717 0.020 1
516 59 59 GLY CA C 44.487 0.3 1
517 59 59 GLY N N 108.768 0.3 1
518 60 60 ASN H H 8.081 0.020 1
519 60 60 ASN HA H 4.428 0.020 1
520 60 60 ASN HB2 H 2.492 0.020 1
521 60 60 ASN HB3 H 2.492 0.020 1
522 60 60 ASN C C 174.170 0.3 1
523 60 60 ASN CA C 49.974 0.3 1
524 60 60 ASN CB C 34.713 0.3 1
525 60 60 ASN N N 118.770 0.3 1
526 61 61 GLY H H 10.243 0.020 1
527 61 61 GLY HA2 H 3.327 0.020 2
528 61 61 GLY HA3 H 4.067 0.020 2
529 61 61 GLY CA C 42.905 0.3 1
530 61 61 GLY N N 112.712 0.3 1
531 62 62 THR H H 7.477 0.020 1
532 62 62 THR HA H 4.649 0.020 1
533 62 62 THR HB H 3.827 0.020 1
534 62 62 THR HG2 H 0.947 0.020 1
535 62 62 THR CA C 56.774 0.3 1
536 62 62 THR CB C 69.688 0.3 1
537 62 62 THR CG2 C 19.543 0.3 1
538 62 62 THR N N 108.060 0.3 1
539 63 63 ILE H H 8.430 0.020 1
540 63 63 ILE HA H 4.796 0.020 1
541 63 63 ILE HB H 1.855 0.020 1
542 63 63 ILE HG2 H 1.096 0.020 1
543 63 63 ILE HD1 H 0.787 0.020 1
544 63 63 ILE CA C 57.750 0.3 1
545 63 63 ILE CB C 37.363 0.3 1
546 63 63 ILE CG1 C 24.341 0.3 1
547 63 63 ILE CG2 C 15.431 0.3 1
548 63 63 ILE CD1 C 11.319 0.3 1
549 63 63 ILE N N 122.617 0.3 1
550 64 64 ASP H H 8.996 0.020 1
551 64 64 ASP HA H 5.333 0.020 1
552 64 64 ASP HB2 H 2.814 0.020 1
553 64 64 ASP HB3 H 2.814 0.020 2
554 64 64 ASP CA C 49.402 0.3 1
555 64 64 ASP CB C 39.761 0.3 1
556 64 64 ASP N N 128.615 0.3 1
557 65 65 PHE H H 8.756 0.020 1
558 65 65 PHE HA H 3.542 0.020 1
559 65 65 PHE HB2 H 1.673 0.020 1
560 65 65 PHE HB3 H 1.673 0.020 1
561 65 65 PHE CA C 60.213 0.3 1
562 65 65 PHE CB C 32.902 0.3 1
563 65 65 PHE N N 118.892 0.3 1
564 67 67 GLU H H 7.814 0.020 1
565 67 67 GLU HA H 3.899 0.020 1
566 67 67 GLU HB2 H 1.889 0.020 2
567 67 67 GLU HB3 H 1.761 0.020 2
568 67 67 GLU HG2 H 2.155 0.020 1
569 67 67 GLU HG3 H 2.155 0.020 1
570 67 67 GLU CA C 56.605 0.3 1
571 67 67 GLU CB C 26.397 0.3 1
572 67 67 GLU CG C 33.250 0.3 1
573 67 67 GLU N N 119.708 0.3 1
574 68 68 PHE H H 8.048 0.020 1
575 68 68 PHE HA H 3.647 0.020 1
576 68 68 PHE HB2 H 2.627 0.020 1
577 68 68 PHE HB3 H 2.627 0.020 1
578 68 68 PHE CA C 58.255 0.3 1
579 68 68 PHE CB C 37.591 0.3 1
580 68 68 PHE N N 123.035 0.3 1
581 69 69 LEU H H 8.649 0.020 1
582 69 69 LEU HA H 3.763 0.020 1
583 69 69 LEU HB2 H 1.109 0.020 1
584 69 69 LEU HB3 H 1.109 0.020 1
585 69 69 LEU HG H 1.529 0.020 1
586 69 69 LEU HD1 H 0.478 0.020 1
587 69 69 LEU HD2 H 0.603 0.020 1
588 69 69 LEU CA C 54.774 0.3 1
589 69 69 LEU CB C 38.577 0.3 1
590 69 69 LEU CG C 23.919 0.3 1
591 69 69 LEU CD1 C 20.835 0.3 1
592 69 69 LEU CD2 C 22.549 0.3 1
593 69 69 LEU N N 119.481 0.3 1
594 70 70 THR H H 7.894 0.020 1
595 70 70 THR HA H 3.501 0.020 1
596 70 70 THR HB H 3.947 0.020 1
597 70 70 THR HG2 H 0.997 0.020 1
598 70 70 THR CA C 63.861 0.3 1
599 70 70 THR CB C 66.045 0.3 1
600 70 70 THR CG2 C 18.515 0.3 1
601 70 70 THR N N 113.842 0.3 1
602 71 71 MET H H 7.120 0.020 1
603 71 71 MET HA H 3.913 0.020 1
604 71 71 MET HB2 H 1.700 0.020 1
605 71 71 MET HB3 H 1.700 0.020 1
606 71 71 MET HG2 H 2.337 0.020 1
607 71 71 MET HG3 H 2.337 0.020 1
608 71 71 MET CA C 56.000 0.3 1
609 71 71 MET CB C 29.595 0.3 1
610 71 71 MET CG C 29.481 0.3 1
611 71 71 MET N N 119.518 0.3 1
612 72 72 MET H H 7.715 0.020 1
613 72 72 MET HA H 3.860 0.020 1
614 72 72 MET HB2 H 1.727 0.020 1
615 72 72 MET HB3 H 1.727 0.020 1
616 72 72 MET HG2 H 2.395 0.020 1
617 72 72 MET HG3 H 2.395 0.020 1
618 72 72 MET HE H 2.110 0.020 1
619 72 72 MET CA C 54.990 0.3 1
620 72 72 MET CB C 26.617 0.3 1
621 72 72 MET CG C 29.595 0.3 1
622 72 72 MET N N 116.386 0.3 1
623 73 73 ALA H H 8.318 0.020 1
624 73 73 ALA HA H 3.832 0.020 1
625 73 73 ALA HB H 1.128 0.020 1
626 73 73 ALA CA C 51.859 0.3 1
627 73 73 ALA CB C 15.376 0.3 1
628 73 73 ALA N N 119.953 0.3 1
629 74 74 ARG H H 7.281 0.020 1
630 74 74 ARG HA H 3.860 0.020 1
631 74 74 ARG HB2 H 1.664 0.020 1
632 74 74 ARG HB3 H 1.664 0.020 1
633 74 74 ARG HG2 H 1.762 0.020 1
634 74 74 ARG HG3 H 1.762 0.020 1
635 74 74 ARG HD2 H 3.039 0.020 1
636 74 74 ARG HD3 H 3.039 0.020 1
637 74 74 ARG CA C 55.933 0.3 1
638 74 74 ARG CB C 29.140 0.3 1
639 74 74 ARG CG C 26.860 0.3 1
640 74 74 ARG CD C 40.675 0.3 1
641 74 74 ARG N N 116.354 0.3 1
642 75 75 LYS H H 7.767 0.020 1
643 75 75 LYS HA H 3.948 0.020 1
644 75 75 LYS HB2 H 1.494 0.020 1
645 75 75 LYS HB3 H 1.494 0.020 1
646 75 75 LYS HG2 H 1.223 0.020 1
647 75 75 LYS HG3 H 1.223 0.020 1
648 75 75 LYS HD2 H 1.626 0.020 1
649 75 75 LYS HD3 H 1.626 0.020 1
650 75 75 LYS HE2 H 2.805 0.020 1
651 75 75 LYS HE3 H 2.805 0.020 1
652 75 75 LYS CA C 54.788 0.3 1
653 75 75 LYS CB C 26.404 0.3 1
654 75 75 LYS CG C 21.714 0.3 1
655 75 75 LYS CD C 30.852 0.3 1
656 75 75 LYS CE C 39.419 0.3 1
657 75 75 LYS N N 120.084 0.3 1
658 76 76 MET H H 7.941 0.020 1
659 76 76 MET HA H 3.954 0.020 1
660 76 76 MET HB2 H 1.628 0.020 1
661 76 76 MET HB3 H 1.628 0.020 1
662 76 76 MET HG2 H 1.490 0.020 1
663 76 76 MET HG3 H 1.490 0.020 1
664 76 76 MET HE H 1.226 0.020 1
665 76 76 MET CA C 54.552 0.3 1
666 76 76 MET CB C 30.052 0.3 1
667 76 76 MET CG C 26.204 0.3 1
668 76 76 MET CE C 21.978 0.3 1
669 76 76 MET N N 116.881 0.3 1
670 77 77 LYS H H 7.264 0.020 1
671 77 77 LYS HA H 4.221 0.020 1
672 77 77 LYS HB2 H 1.495 0.020 1
673 77 77 LYS HB3 H 1.495 0.020 1
674 77 77 LYS HG2 H 1.229 0.020 2
675 77 77 LYS HG3 H 1.346 0.020 2
676 77 77 LYS HD2 H 1.644 0.020 2
677 77 77 LYS HD3 H 1.793 0.020 2
678 77 77 LYS HE2 H 2.805 0.020 1
679 77 77 LYS HE3 H 2.805 0.020 1
680 77 77 LYS CA C 53.307 0.3 1
681 77 77 LYS CB C 27.246 0.3 1
682 77 77 LYS CG C 21.828 0.3 1
683 77 77 LYS CD C 30.509 0.3 1
684 77 77 LYS CE C 39.419 0.3 1
685 77 77 LYS N N 116.614 0.3 1
686 78 78 ASP H H 8.140 0.020 1
687 78 78 ASP HA H 4.426 0.020 1
688 78 78 ASP HB2 H 2.312 0.020 1
689 78 78 ASP HB3 H 2.312 0.020 1
690 78 78 ASP CA C 51.732 0.3 1
691 78 78 ASP CB C 39.021 0.3 1
692 78 78 ASP N N 123.089 0.3 1
693 79 79 THR H H 8.316 0.020 1
694 79 79 THR HA H 4.034 0.020 1
695 79 79 THR HB H 4.151 0.020 1
696 79 79 THR HG2 H 1.128 0.020 1
697 79 79 THR CA C 61.150 0.3 1
698 79 79 THR CB C 66.147 0.3 1
699 79 79 THR CG2 C 18.972 0.3 1
700 79 79 THR N N 114.423 0.3 1
701 80 80 ASP H H 8.240 0.020 1
702 80 80 ASP HA H 4.440 0.020 1
703 80 80 ASP HB2 H 2.506 0.020 1
704 80 80 ASP HB3 H 2.506 0.020 1
705 80 80 ASP CA C 51.759 0.3 1
706 80 80 ASP CB C 37.810 0.3 1
707 80 80 ASP N N 120.819 0.3 1
708 81 81 SER H H 7.798 0.020 1
709 81 81 SER HA H 4.215 0.020 1
710 81 81 SER HB2 H 3.801 0.020 2
711 81 81 SER HB3 H 3.932 0.020 2
712 81 81 SER CA C 57.683 0.3 1
713 81 81 SER CB C 60.664 0.3 1
714 81 81 SER N N 115.729 0.3 1
715 82 82 GLU H H 8.186 0.020 1
716 82 82 GLU HA H 3.896 0.020 1
717 82 82 GLU HB2 H 1.897 0.020 1
718 82 82 GLU HB3 H 1.897 0.020 2
719 82 82 GLU HG2 H 2.164 0.020 1
720 82 82 GLU HG3 H 2.164 0.020 1
721 82 82 GLU CA C 56.707 0.3 1
722 82 82 GLU CB C 26.625 0.3 1
723 82 82 GLU CG C 33.479 0.3 1
724 82 82 GLU N N 122.083 0.3 1
725 83 83 GLU H H 7.937 0.020 1
726 83 83 GLU HA H 3.873 0.020 1
727 83 83 GLU HB2 H 1.761 0.020 2
728 83 83 GLU HB3 H 1.889 0.020 2
729 83 83 GLU HG2 H 2.166 0.020 1
730 83 83 GLU HG3 H 2.166 0.020 1
731 83 83 GLU CA C 55.928 0.3 1
732 83 83 GLU CB C 26.832 0.3 1
733 83 83 GLU CG C 33.593 0.3 1
734 83 83 GLU N N 118.040 0.3 1
735 84 84 GLU H H 8.080 0.020 1
736 84 84 GLU HA H 3.917 0.020 1
737 84 84 GLU HB2 H 1.477 0.020 1
738 84 84 GLU HB3 H 1.477 0.020 1
739 84 84 GLU HG2 H 2.804 0.020 1
740 84 84 GLU HG3 H 2.804 0.020 1
741 84 84 GLU CA C 54.620 0.3 1
742 84 84 GLU CB C 26.318 0.3 1
743 84 84 GLU CG C 39.340 0.3 1
744 84 84 GLU N N 118.604 0.3 1
745 85 85 ILE H H 7.863 0.020 1
746 85 85 ILE HA H 3.619 0.020 1
747 85 85 ILE HB H 1.786 0.020 1
748 85 85 ILE HG12 H 0.879 0.020 1
749 85 85 ILE HG13 H 0.879 0.020 1
750 85 85 ILE HG2 H 0.938 0.020 1
751 85 85 ILE HD1 H 0.662 0.020 1
752 85 85 ILE CA C 63.338 0.3 1
753 85 85 ILE CB C 34.688 0.3 1
754 85 85 ILE CG1 C 27.450 0.3 1
755 85 85 ILE CG2 C 14.324 0.3 1
756 85 85 ILE CD1 C 9.984 0.3 1
757 85 85 ILE N N 120.249 0.3 1
758 86 86 ARG H H 8.177 0.020 1
759 86 86 ARG HA H 3.925 0.020 1
760 86 86 ARG HB2 H 1.769 0.020 1
761 86 86 ARG HB3 H 1.876 0.020 2
762 86 86 ARG HG2 H 1.513 0.020 1
763 86 86 ARG HG3 H 1.513 0.020 1
764 86 86 ARG HD2 H 2.786 0.020 1
765 86 86 ARG HD3 H 2.786 0.020 1
766 86 86 ARG CA C 57.346 0.3 1
767 86 86 ARG CB C 26.854 0.3 1
768 86 86 ARG CG C 24.569 0.3 1
769 86 86 ARG CD C 40.715 0.3 1
770 86 86 ARG N N 120.640 0.3 1
771 87 87 GLU H H 7.823 0.020 1
772 87 87 GLU HA H 3.887 0.020 1
773 87 87 GLU HB2 H 1.896 0.020 1
774 87 87 GLU HB3 H 1.896 0.020 1
775 87 87 GLU HG2 H 2.164 0.020 1
776 87 87 GLU HG3 H 2.164 0.020 1
777 87 87 GLU CA C 56.510 0.3 1
778 87 87 GLU CB C 26.401 0.3 1
779 87 87 GLU CG C 33.575 0.3 1
780 87 87 GLU N N 119.782 0.3 1
781 88 88 ALA H H 8.194 0.020 1
782 88 88 ALA HA H 4.028 0.020 1
783 88 88 ALA HB H 1.609 0.020 1
784 88 88 ALA CA C 52.566 0.3 1
785 88 88 ALA CB C 14.632 0.3 1
786 88 88 ALA N N 122.318 0.3 1
787 89 89 PHE H H 8.406 0.020 1
788 89 89 PHE HA H 3.133 0.020 1
789 89 89 PHE HB2 H 2.183 0.020 2
790 89 89 PHE HB3 H 2.607 0.020 2
791 89 89 PHE CA C 58.983 0.3 1
792 89 89 PHE CB C 36.370 0.3 1
793 89 89 PHE N N 118.832 0.3 1
794 90 90 ARG H H 7.740 0.020 1
795 90 90 ARG HA H 3.893 0.020 1
796 90 90 ARG HB2 H 1.749 0.020 1
797 90 90 ARG HB3 H 1.749 0.020 1
798 90 90 ARG HG2 H 1.506 0.020 1
799 90 90 ARG HG3 H 1.506 0.020 1
800 90 90 ARG HD2 H 3.012 0.020 1
801 90 90 ARG HD3 H 3.012 0.020 1
802 90 90 ARG CA C 55.899 0.3 1
803 90 90 ARG CB C 27.394 0.3 1
804 90 90 ARG CG C 24.993 0.3 1
805 90 90 ARG CD C 40.888 0.3 1
806 90 90 ARG N N 116.969 0.3 1
807 91 91 VAL H H 7.282 0.020 1
808 91 91 VAL HA H 3.288 0.020 1
809 91 91 VAL HB H 1.848 0.020 1
810 91 91 VAL HG1 H 0.296 0.020 1
811 91 91 VAL HG2 H 0.750 0.020 1
812 91 91 VAL CA C 63.333 0.3 1
813 91 91 VAL CB C 28.456 0.3 1
814 91 91 VAL CG1 C 18.401 0.3 1
815 91 91 VAL CG2 C 20.229 0.3 1
816 91 91 VAL N N 118.958 0.3 1
817 92 92 PHE H H 6.822 0.020 1
818 92 92 PHE HA H 3.954 0.020 1
819 92 92 PHE HB2 H 2.798 0.020 1
820 92 92 PHE HB3 H 2.798 0.020 1
821 92 92 PHE CA C 56.606 0.3 1
822 92 92 PHE CB C 39.419 0.3 1
823 92 92 PHE N N 113.384 0.3 1
824 93 93 ALA H H 7.889 0.020 1
825 93 93 ALA HA H 3.921 0.020 1
826 93 93 ALA HB H 1.339 0.020 1
827 93 93 ALA CA C 48.830 0.3 1
828 93 93 ALA CB C 16.495 0.3 1
829 93 93 ALA N N 122.222 0.3 1
830 94 94 LYS H H 7.836 0.020 1
831 94 94 LYS HA H 3.932 0.020 1
832 94 94 LYS HB2 H 1.624 0.020 1
833 94 94 LYS HB3 H 1.624 0.020 1
834 94 94 LYS HG2 H 1.217 0.020 1
835 94 94 LYS HG3 H 1.217 0.020 1
836 94 94 LYS HD2 H 1.486 0.020 1
837 94 94 LYS HD3 H 1.486 0.020 1
838 94 94 LYS HE2 H 2.801 0.020 1
839 94 94 LYS HE3 H 2.801 0.020 1
840 94 94 LYS CA C 54.809 0.3 1
841 94 94 LYS CB C 30.710 0.3 1
842 94 94 LYS CG C 21.791 0.3 1
843 94 94 LYS CD C 26.251 0.3 1
844 94 94 LYS CE C 39.630 0.3 1
845 94 94 LYS N N 120.861 0.3 1
846 95 95 ASP H H 8.567 0.020 1
847 95 95 ASP HA H 4.434 0.020 1
848 95 95 ASP HB2 H 2.512 0.020 1
849 95 95 ASP HB3 H 2.512 0.020 1
850 95 95 ASP CA C 52.162 0.3 1
851 95 95 ASP CB C 37.800 0.3 1
852 95 95 ASP N N 119.161 0.3 1
853 96 96 GLY H H 7.955 0.020 1
854 96 96 GLY HA2 H 3.768 0.020 1
855 96 96 GLY CA C 43.276 0.3 1
856 96 96 GLY N N 107.207 0.3 1
857 97 97 ASN H H 8.109 0.020 1
858 97 97 ASN HA H 4.501 0.020 1
859 97 97 ASN HB2 H 2.486 0.020 1
860 97 97 ASN HB3 H 2.486 0.020 1
861 97 97 ASN CA C 50.244 0.3 1
862 97 97 ASN CB C 36.322 0.3 1
863 97 97 ASN N N 117.565 0.3 1
864 98 98 GLY H H 8.429 0.020 1
865 98 98 GLY HA2 H 3.768 0.020 1
866 98 98 GLY HA3 H 3.768 0.020 1
867 98 98 GLY CA C 42.636 0.3 1
868 98 98 GLY N N 107.108 0.3 1
869 99 99 TYR H H 7.019 0.020 1
870 99 99 TYR HA H 4.437 0.020 1
871 99 99 TYR HB2 H 2.502 0.020 1
872 99 99 TYR HB3 H 2.502 0.020 1
873 99 99 TYR CA C 52.735 0.3 1
874 99 99 TYR CB C 37.832 0.3 1
875 99 99 TYR N N 114.221 0.3 1
876 101 101 SER H H 8.945 0.020 1
877 101 101 SER HA H 4.050 0.020 1
878 101 101 SER HB2 H 3.623 0.020 1
879 101 101 SER HB3 H 3.623 0.020 1
880 101 101 SER CA C 53.879 0.3 1
881 101 101 SER CB C 64.091 0.3 1
882 101 101 SER N N 123.800 0.3 1
883 102 102 ALA H H 9.053 0.020 1
884 102 102 ALA HA H 3.741 0.020 1
885 102 102 ALA HB H 1.342 0.020 1
886 102 102 ALA CA C 53.240 0.3 1
887 102 102 ALA CB C 14.975 0.3 1
888 102 102 ALA N N 124.809 0.3 1
889 103 103 ALA H H 8.160 0.020 1
890 103 103 ALA HA H 3.874 0.020 1
891 103 103 ALA HB H 1.217 0.020 1
892 103 103 ALA CA C 52.597 0.3 1
893 103 103 ALA CB C 15.203 0.3 1
894 103 103 ALA N N 118.545 0.3 1
895 104 104 GLU H H 7.610 0.020 1
896 104 104 GLU HA H 3.906 0.020 1
897 104 104 GLU HB2 H 1.887 0.020 2
898 104 104 GLU HB3 H 1.782 0.020 1
899 104 104 GLU HG2 H 2.144 0.020 1
900 104 104 GLU CA C 56.522 0.3 1
901 104 104 GLU CB C 27.395 0.3 1
902 104 104 GLU CG C 34.156 0.3 1
903 104 104 GLU N N 118.667 0.3 1
904 105 105 LEU H H 8.069 0.020 1
905 105 105 LEU HA H 4.116 0.020 1
906 105 105 LEU HB2 H 1.769 0.020 1
907 105 105 LEU HB3 H 1.769 0.020 1
908 105 105 LEU HG H 1.513 0.020 1
909 105 105 LEU HD1 H 0.643 0.020 1
910 105 105 LEU HD2 H 1.096 0.020 1
911 105 105 LEU CA C 55.764 0.3 1
912 105 105 LEU CB C 39.445 0.3 1
913 105 105 LEU CG C 23.770 0.3 1
914 105 105 LEU CD1 C 21.600 0.3 1
915 105 105 LEU N N 121.560 0.3 1
916 106 106 ARG H H 8.742 0.020 1
917 106 106 ARG HA H 3.939 0.020 1
918 106 106 ARG HB2 H 1.765 0.020 2
919 106 106 ARG HB3 H 1.882 0.020 2
920 106 106 ARG HG2 H 1.480 0.020 1
921 106 106 ARG HD2 H 2.795 0.020 2
922 106 106 ARG HD3 H 3.005 0.020 2
923 106 106 ARG CA C 57.313 0.3 1
924 106 106 ARG CB C 27.084 0.3 1
925 106 106 ARG CG C 25.260 0.3 1
926 106 106 ARG CD C 40.650 0.3 1
927 106 106 ARG N N 118.436 0.3 1
928 107 107 HIS H H 7.795 0.020 1
929 107 107 HIS HA H 4.241 0.020 1
930 107 107 HIS HB2 H 3.178 0.020 1
931 107 107 HIS HB3 H 3.178 0.020 1
932 107 107 HIS CA C 56.471 0.3 1
933 107 107 HIS CB C 26.740 0.3 1
934 107 107 HIS N N 118.439 0.3 1
935 108 108 VAL H H 7.610 0.020 1
936 108 108 VAL HA H 3.413 0.020 1
937 108 108 VAL HB H 1.901 0.020 1
938 108 108 VAL HG1 H 0.724 0.020 1
939 108 108 VAL HG2 H 0.296 0.020 1
940 108 108 VAL CA C 64.050 0.3 1
941 108 108 VAL CB C 29.253 0.3 1
942 108 108 VAL CG1 C 20.476 0.3 1
943 108 108 VAL CG2 C 18.766 0.3 1
944 108 108 VAL N N 118.849 0.3 1
945 109 109 MET H H 8.054 0.020 1
946 109 109 MET HA H 3.899 0.020 1
947 109 109 MET HB2 H 1.761 0.020 1
948 109 109 MET HB3 H 1.761 0.020 1
949 109 109 MET HG2 H 2.166 0.020 1
950 109 109 MET HG3 H 2.166 0.020 1
951 109 109 MET CA C 55.798 0.3 1
952 109 109 MET CB C 27.394 0.3 1
953 109 109 MET CG C 31.080 0.3 1
954 109 109 MET N N 115.690 0.3 1
955 110 110 THR H H 8.433 0.020 1
956 110 110 THR HA H 3.794 0.020 1
957 110 110 THR HB H 4.156 0.020 1
958 110 110 THR HG2 H 1.112 0.020 1
959 110 110 THR CA C 63.728 0.3 1
960 110 110 THR CB C 65.930 0.3 1
961 110 110 THR CG2 C 18.818 0.3 1
962 110 110 THR N N 115.945 0.3 1
963 111 111 ASN H H 7.836 0.020 1
964 111 111 ASN HA H 4.267 0.020 1
965 111 111 ASN HB2 H 2.827 0.020 1
966 111 111 ASN HB3 H 2.827 0.020 2
967 111 111 ASN CA C 52.949 0.3 1
968 111 111 ASN CB C 34.964 0.3 1
969 111 111 ASN N N 123.336 0.3 1
970 112 112 LEU H H 7.643 0.020 1
971 112 112 LEU HA H 4.057 0.020 1
972 112 112 LEU HB2 H 1.697 0.020 2
973 112 112 LEU HB3 H 1.460 0.020 2
974 112 112 LEU HG H 1.572 0.020 1
975 112 112 LEU HD1 H 0.546 0.020 1
976 112 112 LEU CA C 52.802 0.3 1
977 112 112 LEU CB C 39.533 0.3 1
978 112 112 LEU CG C 23.541 0.3 1
979 112 112 LEU CD1 C 20.248 0.3 1
980 112 112 LEU N N 119.072 0.3 1
981 113 113 GLY H H 7.698 0.020 1
982 113 113 GLY HA2 H 3.597 0.020 1
983 113 113 GLY HA3 H 4.077 0.020 2
984 113 113 GLY CA C 42.636 0.3 1
985 113 113 GLY N N 106.862 0.3 1
986 114 114 GLU H H 7.841 0.020 1
987 114 114 GLU HA H 4.267 0.020 1
988 114 114 GLU HB2 H 1.756 0.020 1
989 114 114 GLU HB3 H 1.756 0.020 1
990 114 114 GLU HG2 H 1.927 0.020 1
991 114 114 GLU HG3 H 1.927 0.020 1
992 114 114 GLU CA C 51.859 0.3 1
993 114 114 GLU CB C 27.539 0.3 1
994 114 114 GLU CG C 31.651 0.3 1
995 114 114 GLU N N 120.273 0.3 1
996 115 115 LYS H H 8.336 0.020 1
997 115 115 LYS HA H 4.195 0.020 1
998 115 115 LYS HB2 H 1.769 0.020 1
999 115 115 LYS HB3 H 1.769 0.020 2
1000 115 115 LYS HG2 H 1.342 0.020 1
1001 115 115 LYS HG3 H 1.224 0.020 2
1002 115 115 LYS HD2 H 1.491 0.020 1
1003 115 115 LYS HD3 H 1.491 0.020 1
1004 115 115 LYS HE2 H 2.805 0.020 1
1005 115 115 LYS HE3 H 2.805 0.020 1
1006 115 115 LYS CA C 53.105 0.3 1
1007 115 115 LYS CB C 29.481 0.3 1
1008 115 115 LYS CG C 21.714 0.3 1
1009 115 115 LYS CD C 26.283 0.3 1
1010 115 115 LYS CE C 39.304 0.3 1
1011 115 115 LYS N N 123.547 0.3 1
1012 116 116 LEU H H 7.937 0.020 1
1013 116 116 LEU HA H 4.445 0.020 1
1014 116 116 LEU HB2 H 1.534 0.020 1
1015 116 116 LEU HB3 H 1.534 0.020 1
1016 116 116 LEU HG H 1.513 0.020 1
1017 116 116 LEU HD1 H 0.632 0.020 1
1018 116 116 LEU HD2 H 0.632 0.020 1
1019 116 116 LEU CA C 51.438 0.3 1
1020 116 116 LEU CB C 42.168 0.3 1
1021 116 116 LEU CG C 23.770 0.3 1
1022 116 116 LEU CD1 C 20.800 0.3 1
1023 116 116 LEU N N 125.240 0.3 1
1024 117 117 THR H H 8.884 0.020 1
1025 117 117 THR HA H 4.280 0.020 1
1026 117 117 THR HB H 4.622 0.020 1
1027 117 117 THR HG2 H 1.164 0.020 1
1028 117 117 THR CA C 57.851 0.3 1
1029 117 117 THR CB C 68.352 0.3 1
1030 117 117 THR CG2 C 18.876 0.3 1
1031 117 117 THR N N 113.274 0.3 1
1032 118 118 ASP H H 8.694 0.020 1
1033 118 118 ASP HA H 4.037 0.020 1
1034 118 118 ASP HB2 H 2.519 0.020 1
1035 118 118 ASP HB3 H 2.519 0.020 1
1036 118 118 ASP CA C 55.259 0.3 1
1037 118 118 ASP CB C 37.114 0.3 1
1038 118 118 ASP N N 120.555 0.3 1
1039 119 119 GLU H H 8.492 0.020 1
1040 119 119 GLU HA H 3.927 0.020 1
1041 119 119 GLU HB2 H 1.759 0.020 2
1042 119 119 GLU HB3 H 1.876 0.020 2
1043 119 119 GLU HG2 H 2.157 0.020 1
1044 119 119 GLU HG3 H 2.157 0.020 1
1045 119 119 GLU CA C 55.091 0.3 1
1046 119 119 GLU CB C 27.202 0.3 1
1047 119 119 GLU CG C 33.358 0.3 1
1048 119 119 GLU N N 119.030 0.3 1
1049 120 120 GLU H H 7.769 0.020 1
1050 120 120 GLU HA H 3.886 0.020 1
1051 120 120 GLU HB2 H 1.900 0.020 2
1052 120 120 GLU HB3 H 1.761 0.020 2
1053 120 120 GLU HG2 H 2.157 0.020 1
1054 120 120 GLU HG3 H 2.157 0.020 1
1055 120 120 GLU CA C 56.438 0.3 1
1056 120 120 GLU CB C 27.197 0.3 1
1057 120 120 GLU CG C 33.358 0.3 1
1058 120 120 GLU N N 119.017 0.3 1
1059 121 121 VAL H H 7.927 0.020 1
1060 121 121 VAL HA H 3.498 0.020 1
1061 121 121 VAL HB H 2.032 0.020 1
1062 121 121 VAL HG1 H 0.822 0.020 1
1063 121 121 VAL HG2 H 0.980 0.020 1
1064 121 121 VAL CA C 63.944 0.3 1
1065 121 121 VAL CB C 28.567 0.3 1
1066 121 121 VAL CG1 C 20.343 0.3 1
1067 121 121 VAL CG2 C 18.744 0.3 1
1068 121 121 VAL N N 120.488 0.3 1
1069 122 122 ASP H H 7.923 0.020 1
1070 122 122 ASP HA H 3.939 0.020 1
1071 122 122 ASP HB2 H 1.887 0.020 2
1072 122 122 ASP HB3 H 2.801 0.020 2
1073 122 122 ASP CA C 53.776 0.3 1
1074 122 122 ASP CB C 39.172 0.3 1
1075 122 122 ASP N N 120.148 0.3 1
1076 123 123 GLU H H 8.175 0.020 1
1077 123 123 GLU HA H 3.877 0.020 1
1078 123 123 GLU HB2 H 1.896 0.020 1
1079 123 123 GLU HB3 H 1.896 0.020 1
1080 123 123 GLU HG2 H 2.164 0.020 1
1081 123 123 GLU HG3 H 2.164 0.020 1
1082 123 123 GLU CA C 56.746 0.3 1
1083 123 123 GLU CB C 26.361 0.3 1
1084 123 123 GLU CG C 33.595 0.3 1
1085 123 123 GLU N N 122.029 0.3 1
1086 124 124 MET H H 7.841 0.020 1
1087 124 124 MET HA H 3.638 0.020 1
1088 124 124 MET HB2 H 2.164 0.020 1
1089 124 124 MET HB3 H 2.164 0.020 1
1090 124 124 MET HG2 H 2.260 0.020 1
1091 124 124 MET HG3 H 2.260 0.020 1
1092 124 124 MET CA C 56.438 0.3 1
1093 124 124 MET CB C 30.973 0.3 1
1094 124 124 MET CG C 31.446 0.3 1
1095 124 124 MET N N 118.200 0.3 1
1096 125 125 ILE H H 7.699 0.020 1
1097 125 125 ILE HA H 3.360 0.020 1
1098 125 125 ILE HB H 1.867 0.020 1
1099 125 125 ILE HG12 H 1.465 0.020 1
1100 125 125 ILE HG13 H 1.465 0.020 1
1101 125 125 ILE HG2 H 0.633 0.020 1
1102 125 125 ILE HD1 H 0.556 0.020 1
1103 125 125 ILE CA C 61.816 0.3 1
1104 125 125 ILE CB C 34.363 0.3 1
1105 125 125 ILE CG1 C 26.401 0.3 1
1106 125 125 ILE CG2 C 14.023 0.3 1
1107 125 125 ILE CD1 C 9.372 0.3 1
1108 125 125 ILE N N 118.392 0.3 1
1109 126 126 ARG H H 8.006 0.020 1
1110 126 126 ARG HA H 3.854 0.020 1
1111 126 126 ARG HB2 H 2.174 0.020 1
1112 126 126 ARG HB3 H 2.174 0.020 1
1113 126 126 ARG HG2 H 1.877 0.020 1
1114 126 126 ARG HG3 H 1.877 0.020 1
1115 126 126 ARG CA C 56.741 0.3 1
1116 126 126 ARG CB C 27.426 0.3 1
1117 126 126 ARG CG C 25.770 0.3 1
1118 126 126 ARG N N 119.829 0.3 1
1119 127 127 GLU H H 7.792 0.020 1
1120 127 127 GLU HA H 3.937 0.020 1
1121 127 127 GLU HB2 H 1.692 0.020 1
1122 127 127 GLU HB3 H 1.692 0.020 1
1123 127 127 GLU HG2 H 2.174 0.020 1
1124 127 127 GLU HG3 H 2.174 0.020 1
1125 127 127 GLU CA C 55.529 0.3 1
1126 127 127 GLU CB C 26.937 0.3 1
1127 127 127 GLU CG C 33.612 0.3 1
1128 127 127 GLU N N 116.582 0.3 1
1129 128 128 ALA H H 7.119 0.020 1
1130 128 128 ALA HA H 3.917 0.020 1
1131 128 128 ALA HB H 1.336 0.020 1
1132 128 128 ALA CA C 49.436 0.3 1
1133 128 128 ALA CB C 18.229 0.3 1
1134 128 128 ALA N N 119.373 0.3 1
1135 129 129 ALA H H 7.502 0.020 1
1136 129 129 ALA HA H 4.141 0.020 1
1137 129 129 ALA HB H 1.231 0.020 1
1138 129 129 ALA CA C 49.756 0.3 1
1139 129 129 ALA CB C 16.625 0.3 1
1140 129 129 ALA N N 120.476 0.3 1
1141 130 130 ILE H H 8.071 0.020 1
1142 130 130 ILE HA H 3.925 0.020 1
1143 130 130 ILE HB H 1.676 0.020 1
1144 130 130 ILE HG12 H 1.274 0.020 1
1145 130 130 ILE HG13 H 1.274 0.020 1
1146 130 130 ILE HG2 H 0.681 0.020 1
1147 130 130 ILE HD1 H 0.662 0.020 1
1148 130 130 ILE CA C 58.238 0.3 1
1149 130 130 ILE CB C 36.019 0.3 1
1150 130 130 ILE CG1 C 24.509 0.3 1
1151 130 130 ILE CG2 C 14.654 0.3 1
1152 130 130 ILE CD1 C 10.239 0.3 1
1153 130 130 ILE N N 123.246 0.3 1
1154 131 131 ASP H H 8.251 0.020 1
1155 131 131 ASP HA H 4.411 0.020 1
1156 131 131 ASP HB2 H 2.482 0.020 1
1157 131 131 ASP HB3 H 2.482 0.020 1
1158 131 131 ASP CA C 49.974 0.3 1
1159 131 131 ASP CB C 37.622 0.3 1
1160 131 131 ASP N N 122.430 0.3 1
1161 132 132 GLY H H 7.873 0.020 1
1162 132 132 GLY HA2 H 3.774 0.020 1
1163 132 132 GLY HA3 H 3.774 0.020 1
1164 132 132 GLY CA C 43.579 0.3 1
1165 132 132 GLY N N 106.400 0.3 1
1166 133 133 ASP H H 7.603 0.020 1
1167 133 133 ASP HA H 4.438 0.020 1
1168 133 133 ASP HB2 H 2.801 0.020 1
1169 133 133 ASP HB3 H 2.801 0.020 1
1170 133 133 ASP CA C 50.311 0.3 1
1171 133 133 ASP CB C 38.143 0.3 1
1172 133 133 ASP N N 118.443 0.3 1
1173 134 134 GLY H H 8.319 0.020 1
1174 134 134 GLY HA2 H 3.748 0.020 1
1175 134 134 GLY HA3 H 3.748 0.020 1
1176 134 134 GLY CA C 43.141 0.3 1
1177 134 134 GLY N N 107.316 0.3 1
1178 135 135 GLN H H 7.559 0.020 1
1179 135 135 GLN HA H 4.684 0.020 1
1180 135 135 GLN HB2 H 1.679 0.020 1
1181 135 135 GLN HB3 H 1.679 0.020 1
1182 135 135 GLN HG2 H 1.879 0.020 1
1183 135 135 GLN HG3 H 1.879 0.020 1
1184 135 135 GLN CA C 50.951 0.3 1
1185 135 135 GLN CB C 27.118 0.3 1
1186 135 135 GLN CG C 30.394 0.3 1
1187 135 135 GLN N N 116.214 0.3 1
1188 136 136 VAL H H 9.106 0.020 1
1189 136 136 VAL HA H 4.628 0.020 1
1190 136 136 VAL HB H 2.039 0.020 1
1191 136 136 VAL HG1 H 0.936 0.020 1
1192 136 136 VAL HG2 H 0.696 0.020 1
1193 136 136 VAL CA C 58.794 0.3 1
1194 136 136 VAL CB C 29.869 0.3 1
1195 136 136 VAL CG1 C 19.699 0.3 1
1196 136 136 VAL CG2 C 18.201 0.3 1
1197 136 136 VAL N N 125.848 0.3 1
1198 137 137 ASN H H 9.112 0.020 1
1199 137 137 ASN HA H 5.017 0.020 1
1200 137 137 ASN HB2 H 2.597 0.020 1
1201 137 137 ASN HB3 H 2.321 0.020 2
1202 137 137 ASN CA C 48.776 0.3 1
1203 137 137 ASN CB C 36.428 0.3 1
1204 137 137 ASN N N 127.154 0.3 1
1205 138 138 TYR H H 8.347 0.020 1
1206 138 138 TYR HA H 3.163 0.020 1
1207 138 138 TYR HB2 H 2.183 0.020 2
1208 138 138 TYR HB3 H 2.321 0.020 2
1209 138 138 TYR CA C 59.703 0.3 1
1210 138 138 TYR CB C 36.335 0.3 1
1211 138 138 TYR N N 118.958 0.3 1
1212 139 139 GLU H H 8.110 0.020 1
1213 139 139 GLU HA H 3.838 0.020 1
1214 139 139 GLU HB2 H 1.876 0.020 1
1215 139 139 GLU HB3 H 1.876 0.020 1
1216 139 139 GLU HG2 H 2.177 0.020 1
1217 139 139 GLU HG3 H 2.177 0.020 1
1218 139 139 GLU CA C 57.649 0.3 1
1219 139 139 GLU CB C 25.940 0.3 1
1220 139 139 GLU CG C 33.250 0.3 1
1221 139 139 GLU N N 118.008 0.3 1
1222 140 140 GLU H H 8.237 0.020 1
1223 140 140 GLU HA H 3.649 0.020 1
1224 140 140 GLU HB2 H 2.262 0.020 1
1225 140 140 GLU HB3 H 2.262 0.020 1
1226 140 140 GLU C C 173.466 0.3 1
1227 140 140 GLU CA C 56.101 0.3 1
1228 140 140 GLU CB C 31.534 0.3 1
1229 140 140 GLU N N 119.410 0.3 1
1230 141 141 PHE H H 8.313 0.020 1
1231 141 141 PHE HA H 3.781 0.020 1
1232 141 141 PHE HB2 H 2.834 0.020 1
1233 141 141 PHE HB3 H 2.834 0.020 1
1234 141 141 PHE CA C 59.097 0.3 1
1235 141 141 PHE CB C 37.571 0.3 1
1236 141 141 PHE N N 123.172 0.3 1
1237 142 142 VAL H H 8.340 0.020 1
1238 142 142 VAL HA H 3.038 0.020 1
1239 142 142 VAL HB H 1.644 0.020 1
1240 142 142 VAL HG1 H 0.349 0.020 1
1241 142 142 VAL HG2 H 0.592 0.020 1
1242 142 142 VAL CA C 64.214 0.3 1
1243 142 142 VAL CB C 28.766 0.3 1
1244 142 142 VAL CG1 C 20.305 0.3 1
1245 142 142 VAL CG2 C 18.589 0.3 1
1246 142 142 VAL N N 118.252 0.3 1
1247 143 143 GLN H H 7.634 0.020 1
1248 143 143 GLN HA H 3.636 0.020 1
1249 143 143 GLN HB2 H 1.953 0.020 1
1250 143 143 GLN HB3 H 1.953 0.020 1
1251 143 143 GLN HG2 H 2.157 0.020 1
1252 143 143 GLN HG3 H 2.157 0.020 1
1253 143 143 GLN CA C 56.337 0.3 1
1254 143 143 GLN CB C 25.336 0.3 1
1255 143 143 GLN CG C 31.511 0.3 1
1256 143 143 GLN N N 119.499 0.3 1
1257 144 144 MET H H 7.605 0.020 1
1258 144 144 MET HA H 3.662 0.020 1
1259 144 144 MET HB2 H 2.256 0.020 1
1260 144 144 MET HB3 H 2.256 0.020 1
1261 144 144 MET HG2 H 2.288 0.020 1
1262 144 144 MET HG3 H 2.288 0.020 1
1263 144 144 MET CA C 55.764 0.3 1
1264 144 144 MET CB C 30.736 0.3 1
1265 144 144 MET CG C 31.534 0.3 1
1266 144 144 MET N N 117.280 0.3 1
1267 145 145 MET H H 7.467 0.020 1
1268 145 145 MET HA H 4.004 0.020 1
1269 145 145 MET HB2 H 2.032 0.020 1
1270 145 145 MET HB3 H 2.032 0.020 1
1271 145 145 MET HG2 H 1.907 0.020 1
1272 145 145 MET HG3 H 1.907 0.020 1
1273 145 145 MET CA C 53.408 0.3 1
1274 145 145 MET CB C 29.253 0.3 1
1275 145 145 MET CG C 30.052 0.3 1
1276 145 145 MET N N 114.953 0.3 1
1277 146 146 THR H H 7.465 0.020 1
1278 146 146 THR HA H 4.156 0.020 1
1279 146 146 THR HB H 4.096 0.020 1
1280 146 146 THR HG2 H 0.984 0.020 1
1281 146 146 THR CA C 59.097 0.3 1
1282 146 146 THR CB C 67.755 0.3 1
1283 146 146 THR CG2 C 18.401 0.3 1
1284 146 146 THR N N 107.746 0.3 1
1285 147 147 ALA H H 7.656 0.020 1
1286 147 147 ALA HA H 4.123 0.020 1
1287 147 147 ALA HB H 1.230 0.020 1
1288 147 147 ALA CA C 50.109 0.3 1
1289 147 147 ALA CB C 16.437 0.3 1
1290 147 147 ALA N N 126.366 0.3 1
1291 148 148 LYS H H 7.758 0.020 1
1292 148 148 LYS HA H 3.945 0.020 1
1293 148 148 LYS HB2 H 1.493 0.020 1
1294 148 148 LYS HB3 H 1.493 0.020 1
1295 148 148 LYS HG2 H 1.217 0.020 1
1296 148 148 LYS HG3 H 1.217 0.020 1
1297 148 148 LYS HD2 H 1.624 0.020 1
1298 148 148 LYS HD3 H 1.624 0.020 1
1299 148 148 LYS HE2 H 2.816 0.020 1
1300 148 148 LYS HE3 H 2.816 0.020 1
1301 148 148 LYS CA C 54.753 0.3 1
1302 148 148 LYS CB C 26.283 0.3 1
1303 148 148 LYS CG C 21.828 0.3 1
1304 148 148 LYS CD C 30.852 0.3 1
1305 148 148 LYS CE C 39.419 0.3 1
1306 148 148 LYS N N 125.937 0.3 1
stop_
save_
save_assigned_chemical_shifts_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCA'
'3D HCCH-TOCSY'
'3D 1H-13C NOESY'
'3D 1H-15N NOESY'
'2D 1H-15N double filtered NOESY'
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_2
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 515 13 LEU H H 9.403 0.020 1
2 515 13 LEU HA H 3.779 0.020 1
3 515 13 LEU HB2 H 1.759 0.020 1
4 515 13 LEU HB3 H 1.759 0.020 1
5 515 13 LEU HG H 1.333 0.020 1
6 515 13 LEU HD1 H 0.717 0.020 1
7 515 13 LEU HD2 H 0.717 0.020 1
8 515 13 LEU CA C 55.533 0.3 1
9 515 13 LEU N N 128.585 0.3 1
10 516 14 LYS H H 8.841 0.020 1
11 516 14 LYS HA H 3.749 0.020 1
12 516 14 LYS HB2 H 1.744 0.020 1
13 516 14 LYS HB3 H 1.744 0.020 1
14 516 14 LYS HG2 H 1.235 0.020 1
15 516 14 LYS HG3 H 1.235 0.020 1
16 516 14 LYS CA C 56.947 0.3 1
17 516 14 LYS N N 115.210 0.3 1
18 517 15 VAL H H 6.876 0.020 1
19 517 15 VAL HA H 3.476 0.020 1
20 517 15 VAL HB H 1.940 0.020 1
21 517 15 VAL HG1 H 0.810 0.020 1
22 517 15 VAL HG2 H 0.810 0.020 1
23 517 15 VAL CA C 63.221 0.3 1
24 517 15 VAL N N 117.710 0.3 1
25 518 16 LEU H H 7.670 0.020 1
26 518 16 LEU HA H 3.854 0.020 1
27 518 16 LEU HB2 H 1.581 0.020 1
28 518 16 LEU HB3 H 1.581 0.020 1
29 518 16 LEU HG H 1.414 0.020 1
30 518 16 LEU HD1 H 0.806 0.020 1
31 518 16 LEU CA C 55.392 0.3 1
32 518 16 LEU N N 120.709 0.3 1
33 519 17 VAL H H 8.606 0.020 1
34 519 17 VAL HA H 3.768 0.020 1
35 519 17 VAL HB H 1.907 0.020 1
36 519 17 VAL HG1 H 0.717 0.020 1
37 519 17 VAL HG2 H 0.717 0.020 1
38 519 17 VAL CA C 64.212 0.3 1
39 519 17 VAL N N 111.964 0.3 1
40 520 18 LYS H H 7.112 0.020 1
41 520 18 LYS HA H 4.014 0.020 1
42 520 18 LYS HB2 H 2.006 0.020 1
43 520 18 LYS HB3 H 2.006 0.020 1
44 520 18 LYS HG2 H 0.717 0.020 1
45 520 18 LYS HG3 H 0.717 0.020 1
46 520 18 LYS HD2 H 1.700 0.020 1
47 520 18 LYS HD3 H 1.700 0.020 1
48 520 18 LYS CA C 57.786 0.3 1
49 520 18 LYS N N 119.833 0.3 1
50 521 19 ALA H H 7.838 0.020 1
51 521 19 ALA HA H 4.161 0.020 1
52 521 19 ALA HB H 1.681 0.020 1
53 521 19 ALA CA C 53.207 0.3 1
54 521 19 ALA N N 120.555 0.3 1
55 522 20 VAL H H 8.265 0.020 1
56 522 20 VAL HA H 3.557 0.020 1
57 522 20 VAL HB H 2.331 0.020 1
58 522 20 VAL HG1 H 0.996 0.020 1
59 522 20 VAL HG2 H 0.996 0.020 1
60 522 20 VAL CA C 64.502 0.3 1
61 522 20 VAL N N 116.827 0.3 1
62 523 21 LEU H H 8.760 0.020 1
63 523 21 LEU HA H 4.003 0.020 1
64 523 21 LEU HB2 H 2.036 0.020 1
65 523 21 LEU HB3 H 2.036 0.020 1
66 523 21 LEU HG H 1.691 0.020 1
67 523 21 LEU HD1 H 0.952 0.020 1
68 523 21 LEU HD2 H 0.952 0.020 1
69 523 21 LEU CA C 56.264 0.3 1
70 523 21 LEU N N 121.446 0.3 1
71 524 22 PHE H H 7.948 0.020 1
72 524 22 PHE HA H 4.184 0.020 1
73 524 22 PHE HB2 H 3.428 0.020 1
74 524 22 PHE HB3 H 3.428 0.020 1
75 524 22 PHE HD1 H 6.773 0.020 1
76 524 22 PHE HD2 H 6.773 0.020 1
77 524 22 PHE CA C 58.812 0.3 1
78 524 22 PHE N N 118.793 0.3 1
79 525 23 ALA H H 7.738 0.020 1
80 525 23 ALA HA H 3.715 0.020 1
81 525 23 ALA HB H 1.578 0.020 1
82 525 23 ALA CA C 52.859 0.3 1
83 525 23 ALA N N 117.951 0.3 1
84 526 24 CYS H H 8.567 0.020 1
85 526 24 CYS HA H 4.070 0.020 1
86 526 24 CYS HB2 H 3.073 0.020 2
87 526 24 CYS HB3 H 2.933 0.020 2
88 526 24 CYS CA C 61.415 0.3 1
89 526 24 CYS N N 115.303 0.3 1
90 527 25 MET H H 8.462 0.020 1
91 527 25 MET HA H 3.919 0.020 1
92 527 25 MET HB2 H 2.046 0.020 1
93 527 25 MET HB3 H 2.046 0.020 1
94 527 25 MET HG2 H 2.691 0.020 1
95 527 25 MET HG3 H 2.691 0.020 1
96 527 25 MET CA C 56.156 0.3 1
97 527 25 MET N N 120.601 0.3 1
98 528 26 LEU H H 7.196 0.020 1
99 528 26 LEU HA H 3.930 0.020 1
100 528 26 LEU HB2 H 1.449 0.020 1
101 528 26 LEU HB3 H 1.449 0.020 1
102 528 26 LEU HG H 1.102 0.020 1
103 528 26 LEU HD1 H 0.316 0.020 1
104 528 26 LEU HD2 H 0.316 0.020 1
105 528 26 LEU CA C 52.975 0.3 1
106 528 26 LEU N N 118.166 0.3 1
107 529 27 MET H H 7.270 0.020 1
108 529 27 MET HA H 4.048 0.020 1
109 529 27 MET HB2 H 1.963 0.020 1
110 529 27 MET HB3 H 1.963 0.020 1
111 529 27 MET HG2 H 2.643 0.020 1
112 529 27 MET HG3 H 2.643 0.020 1
113 529 27 MET CA C 54.169 0.3 1
114 529 27 MET N N 117.255 0.3 1
115 530 28 ARG H H 7.981 0.020 1
116 530 28 ARG HA H 4.048 0.020 1
117 530 28 ARG HB2 H 1.820 0.020 1
118 530 28 ARG HB3 H 1.820 0.020 1
119 530 28 ARG HG2 H 1.696 0.020 1
120 530 28 ARG HG3 H 1.696 0.020 1
121 530 28 ARG CA C 53.310 0.3 1
122 530 28 ARG N N 122.437 0.3 1
123 531 29 LYS H H 7.923 0.020 1
124 531 29 LYS HA H 4.184 0.020 1
125 531 29 LYS HB2 H 1.601 0.020 1
126 531 29 LYS HB3 H 1.601 0.020 1
127 531 29 LYS HG2 H 1.276 0.020 1
128 531 29 LYS HG3 H 1.276 0.020 1
129 531 29 LYS HE2 H 3.104 0.020 1
130 531 29 LYS HE3 H 3.104 0.020 1
131 531 29 LYS CA C 54.802 0.3 1
132 531 29 LYS N N 128.142 0.3 1
stop_
save_