data_6508
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
complex structure of PCAF bromodomain with small chemical ligand NP1
;
_BMRB_accession_number 6508
_BMRB_flat_file_name bmr6508.str
_Entry_type original
_Submission_date 2005-02-17
_Accession_date 2005-02-23
_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 Zeng L. . .
2 Li J. . .
3 Muller M. . .
4 Yan S. . .
5 Mujtaba S. . .
6 Pan C. . .
7 Wang Z. . .
8 Zhou M. M. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 663
"13C chemical shifts" 408
"15N chemical shifts" 107
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-08-19 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
6507 'PCAF with NP2'
stop_
_Original_release_date 2005-08-19
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Selective small molecules blocking HIV-1 Tat and coactivator PCAF association'
_Citation_status submitted
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 15724976
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Zeng L. . .
2 Li J. . .
3 Muller M. . .
4 Yan S. . .
5 Mujtaba S. . .
6 Pan C. . .
7 Wang Z. . .
8 Zhou M. M. .
stop_
_Journal_abbreviation 'J. Am. Chem. Soc.'
_Journal_volume 127(8)
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2376
_Page_last 2377
_Year 2005
_Details .
loop_
_Keyword
BROMODOMAIN
'CHEMICAL LIGAND'
HISTONE-ACETYLTRANSFERASE
NMR-STRUCTURE
stop_
save_
##################################
# Molecular system description #
##################################
save_system
_Saveframe_category molecular_system
_Mol_system_name 'Histone acetylatransferase PCAF (E.C.2.3.1.48)'
_Abbreviation_common PCAF
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Histone acetylatransferase' $PCAF
'CALCIUM (II) ION' $CA_2+
NP1 $NP1
stop_
_System_molecular_weight .
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not reported'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PCAF
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Histone acetylatransferase PCAF (E.C.2.3.1.48)'
_Abbreviation_common PCAF
_Molecular_mass .
_Mol_thiol_state 'not reported'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 118
_Mol_residue_sequence
;
GSHMSKEPRDPDQLYSTLKS
ILQQVKSHQSAWPFMEPVKR
TEAPGYYEVIRFPMDLKTMS
ERLKNRYYVSKKLFMADLQR
VFTNCKEYNPPESEYYKCAN
ILEKFFFSKIKEAGLIDK
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 HIS 4 MET 5 SER
6 LYS 7 GLU 8 PRO 9 ARG 10 ASP
11 PRO 12 ASP 13 GLN 14 LEU 15 TYR
16 SER 17 THR 18 LEU 19 LYS 20 SER
21 ILE 22 LEU 23 GLN 24 GLN 25 VAL
26 LYS 27 SER 28 HIS 29 GLN 30 SER
31 ALA 32 TRP 33 PRO 34 PHE 35 MET
36 GLU 37 PRO 38 VAL 39 LYS 40 ARG
41 THR 42 GLU 43 ALA 44 PRO 45 GLY
46 TYR 47 TYR 48 GLU 49 VAL 50 ILE
51 ARG 52 PHE 53 PRO 54 MET 55 ASP
56 LEU 57 LYS 58 THR 59 MET 60 SER
61 GLU 62 ARG 63 LEU 64 LYS 65 ASN
66 ARG 67 TYR 68 TYR 69 VAL 70 SER
71 LYS 72 LYS 73 LEU 74 PHE 75 MET
76 ALA 77 ASP 78 LEU 79 GLN 80 ARG
81 VAL 82 PHE 83 THR 84 ASN 85 CYS
86 LYS 87 GLU 88 TYR 89 ASN 90 PRO
91 PRO 92 GLU 93 SER 94 GLU 95 TYR
96 TYR 97 LYS 98 CYS 99 ALA 100 ASN
101 ILE 102 LEU 103 GLU 104 LYS 105 PHE
106 PHE 107 PHE 108 SER 109 LYS 110 ILE
111 LYS 112 GLU 113 ALA 114 GLY 115 LEU
116 ILE 117 ASP 118 LYS
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 4312 brd_monomer 100.00 118 98.31 98.31 1.63e-79
BMRB 6507 PCAF 100.00 118 100.00 100.00 1.47e-81
PDB 1JM4 "Nmr Structure Of PCAF BROMODOMAIN IN COMPLEX WITH HIV-1 Tat Peptide" 100.00 118 100.00 100.00 1.47e-81
PDB 1N72 "Structure And Ligand Of A Histone Acetyltransferase Bromodomain" 100.00 118 100.00 100.00 1.47e-81
PDB 1WUG "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np1" 100.00 118 100.00 100.00 1.47e-81
PDB 1WUM "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np2" 100.00 118 100.00 100.00 1.47e-81
PDB 1ZS5 "Structure-Based Evaluation Of Selective And Non-Selective Small Molecules That Block Hiv-1 Tat And Pcaf Association" 100.00 118 100.00 100.00 1.47e-81
PDB 2RNW "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" 100.00 118 100.00 100.00 1.47e-81
PDB 2RNX "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" 100.00 118 100.00 100.00 1.47e-81
PDB 3GG3 "Crystal Structure Of The Bromodomain Of Human Pcaf" 99.15 119 97.44 97.44 5.84e-78
DBJ BAI45566 "K(lysine) acetyltransferase 2B [synthetic construct]" 100.00 832 97.46 97.46 4.46e-72
GB AAH60823 "K(lysine) acetyltransferase 2B [Homo sapiens]" 100.00 832 97.46 97.46 4.46e-72
GB AAH70075 "K(lysine) acetyltransferase 2B [Homo sapiens]" 100.00 832 97.46 97.46 4.46e-72
GB EAW64305 "p300/CBP-associated factor, isoform CRA_a, partial [Homo sapiens]" 100.00 825 97.46 97.46 5.76e-72
GB EHH16790 "hypothetical protein EGK_12137 [Macaca mulatta]" 100.00 675 97.46 97.46 1.39e-72
GB EHH51702 "hypothetical protein EGM_11131 [Macaca fascicularis]" 100.00 675 97.46 97.46 1.39e-72
REF NP_003875 "histone acetyltransferase KAT2B [Homo sapiens]" 100.00 832 97.46 97.46 4.46e-72
REF XP_001086807 "PREDICTED: histone acetyltransferase KAT2B-like [Macaca mulatta]" 100.00 858 97.46 97.46 1.24e-71
REF XP_002814059 "PREDICTED: histone acetyltransferase KAT2B-like, partial [Pongo abelii]" 100.00 252 97.46 97.46 1.07e-76
REF XP_003257301 "PREDICTED: histone acetyltransferase KAT2B [Nomascus leucogenys]" 100.00 811 97.46 97.46 3.89e-72
REF XP_003480051 "PREDICTED: histone acetyltransferase KAT2B [Cavia porcellus]" 100.00 771 97.46 97.46 5.87e-72
SP Q92831 "RecName: Full=Histone acetyltransferase KAT2B; AltName: Full=Histone acetyltransferase PCAF; Short=Histone acetylase PCAF; AltN" 100.00 832 97.46 97.46 4.46e-72
stop_
save_
#############
# Ligands #
#############
save_CA_2+
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common 'CALCIUM (II) ION'
_Abbreviation_common Ca
_BMRB_code CA_2+
_PDB_code CA
_Molecular_mass .
_Mol_charge 2+
_Mol_paramagnetic no
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
CA CA CA . 2+ . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
save_NP1
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "NP1 (N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE)"
_BMRB_code .
_PDB_code NP1
_Molecular_mass 209.245
_Mol_charge 0
_Mol_paramagnetic .
_Mol_aromatic yes
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Thu Jun 9 15:08:02 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
NZ NZ N . 0 . ?
CA CA C . 0 . ?
CB CB C . 0 . ?
CG CG C . 0 . ?
NE NE N . 0 . ?
CD CD C . 0 . ?
CE1 CE1 C . 0 . ?
CE2 CE2 C . 0 . ?
NO2 NO2 N . 1 . ?
OC1 OC1 O . 0 . ?
OC2 OC2 O . -1 . ?
CR1 CR1 C . 0 . ?
CR2 CR2 C . 0 . ?
CZ CZ C . 0 . ?
CM CM C . 0 . ?
HNZ1 HNZ1 H . 0 . ?
HNZ2 HNZ2 H . 0 . ?
HA1 HA1 H . 0 . ?
HA2 HA2 H . 0 . ?
HB1 HB1 H . 0 . ?
HB2 HB2 H . 0 . ?
HG1 HG1 H . 0 . ?
HG2 HG2 H . 0 . ?
HNE HNE H . 0 . ?
HE1 HE1 H . 0 . ?
HR1 HR1 H . 0 . ?
HR2 HR2 H . 0 . ?
HM1 HM1 H . 0 . ?
HM2 HM2 H . 0 . ?
HM3 HM3 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING NZ CA ? ?
SING NZ HNZ1 ? ?
SING NZ HNZ2 ? ?
SING CA CB ? ?
SING CA HA1 ? ?
SING CA HA2 ? ?
SING CB CG ? ?
SING CB HB1 ? ?
SING CB HB2 ? ?
SING CG NE ? ?
SING CG HG1 ? ?
SING CG HG2 ? ?
SING NE CD ? ?
SING NE HNE ? ?
DOUB CD CE1 ? ?
SING CD CE2 ? ?
SING CE1 CR1 ? ?
SING CE1 HE1 ? ?
SING CE2 NO2 ? ?
DOUB CE2 CR2 ? ?
DOUB NO2 OC1 ? ?
SING NO2 OC2 ? ?
DOUB CR1 CZ ? ?
SING CR1 HR1 ? ?
SING CR2 CZ ? ?
SING CR2 HR2 ? ?
SING CZ CM ? ?
SING CM HM1 ? ?
SING CM HM2 ? ?
SING CM HM3 ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$PCAF Human 9606 Eukaryota Metazoa Homon sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$PCAF '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
$PCAF 0.5 mM .
'phosphate buffer' 100 mM .
DTT 5 mM .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version 3.851
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label .
save_
save_3D_13C_SEPARATED_FILTERED_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C SEPARATED FILTERED NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C SEPARATED FILTERED NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 . pH
temperature 303 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_ref_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 0.0 external indirect . . . 0.25144953
H2O H 1 protons ppm 4.79 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.10132911
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_chemical_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_ref_1
_Mol_system_component_name 'Histone acetylatransferase'
_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 . 5 SER HA H 4.451 . .
2 . 5 SER HB2 H 3.896 . .
3 . 5 SER CA C 58.274 . .
4 . 5 SER CB C 63.709 . .
5 . 6 LYS H H 8.375 . .
6 . 6 LYS HA H 4.354 . .
7 . 6 LYS HB2 H 1.901 . .
8 . 6 LYS HB3 H 1.757 . .
9 . 6 LYS HG2 H 1.447 . .
10 . 6 LYS HG3 H 1.432 . .
11 . 6 LYS HD2 H 1.680 . .
12 . 6 LYS HE2 H 3.008 . .
13 . 6 LYS CA C 55.787 . .
14 . 6 LYS CB C 32.889 . .
15 . 6 LYS CG C 24.718 . .
16 . 6 LYS CD C 28.968 . .
17 . 6 LYS CE C 41.812 . .
18 . 6 LYS N N 123.159 . .
19 . 7 GLU H H 8.329 . .
20 . 7 GLU HA H 4.570 . .
21 . 7 GLU HB2 H 2.062 . .
22 . 7 GLU HB3 H 1.920 . .
23 . 7 GLU HG2 H 2.303 . .
24 . 7 GLU CA C 54.337 . .
25 . 7 GLU CB C 29.653 . .
26 . 7 GLU CG C 35.919 . .
27 . 7 GLU N N 123.005 . .
28 . 8 PRO HA H 4.449 . .
29 . 8 PRO HB2 H 2.279 . .
30 . 8 PRO HB3 H 1.895 . .
31 . 8 PRO HG2 H 2.040 . .
32 . 8 PRO HD2 H 3.857 . .
33 . 8 PRO HD3 H 3.713 . .
34 . 8 PRO CA C 63.004 . .
35 . 8 PRO CB C 32.143 . .
36 . 8 PRO CG C 27.414 . .
37 . 8 PRO CD C 50.560 . .
38 . 9 ARG H H 8.463 . .
39 . 9 ARG HA H 4.349 . .
40 . 9 ARG HB2 H 1.872 . .
41 . 9 ARG HB3 H 1.791 . .
42 . 9 ARG HG2 H 1.683 . .
43 . 9 ARG HD2 H 3.201 . .
44 . 9 ARG CA C 55.811 . .
45 . 9 ARG CB C 30.898 . .
46 . 9 ARG CG C 27.211 . .
47 . 9 ARG CD C 43.273 . .
48 . 9 ARG N N 120.689 . .
49 . 10 ASP H H 8.263 . .
50 . 10 ASP HA H 4.899 . .
51 . 10 ASP HB2 H 2.794 . .
52 . 10 ASP HB3 H 2.724 . .
53 . 10 ASP CA C 52.302 . .
54 . 10 ASP CB C 41.351 . .
55 . 10 ASP N N 122.039 . .
56 . 11 PRO HA H 4.361 . .
57 . 11 PRO HB2 H 2.341 . .
58 . 11 PRO HB3 H 2.084 . .
59 . 11 PRO HG2 H 2.098 . .
60 . 11 PRO HD2 H 3.897 . .
61 . 11 PRO CA C 64.747 . .
62 . 11 PRO CB C 32.391 . .
63 . 11 PRO CG C 27.470 . .
64 . 11 PRO CD C 50.809 . .
65 . 12 ASP H H 8.411 . .
66 . 12 ASP HA H 4.712 . .
67 . 12 ASP HB2 H 2.844 . .
68 . 12 ASP HB3 H 2.775 . .
69 . 12 ASP CA C 55.787 . .
70 . 12 ASP CB C 40.853 . .
71 . 12 ASP N N 119.763 . .
72 . 13 GLN H H 8.196 . .
73 . 13 GLN HA H 4.215 . .
74 . 13 GLN HB2 H 2.184 . .
75 . 13 GLN HG2 H 2.528 . .
76 . 13 GLN HG3 H 2.412 . .
77 . 13 GLN CA C 58.276 . .
78 . 13 GLN CB C 28.906 . .
79 . 13 GLN CG C 33.852 . .
80 . 13 GLN N N 121.461 . .
81 . 14 LEU H H 8.197 . .
82 . 14 LEU HA H 4.081 . .
83 . 14 LEU HB2 H 1.884 . .
84 . 14 LEU HB3 H 1.585 . .
85 . 14 LEU HG H 1.482 . .
86 . 14 LEU HD1 H 0.842 . .
87 . 14 LEU HD2 H 0.812 . .
88 . 14 LEU CA C 58.275 . .
89 . 14 LEU CB C 41.102 . .
90 . 14 LEU CG C 26.916 . .
91 . 14 LEU CD1 C 25.672 . .
92 . 14 LEU CD2 C 23.182 . .
93 . 14 LEU N N 121.461 . .
94 . 15 TYR H H 7.996 . .
95 . 15 TYR HA H 4.041 . .
96 . 15 TYR HB2 H 3.346 . .
97 . 15 TYR HB3 H 3.079 . .
98 . 15 TYR HD1 H 7.075 . .
99 . 15 TYR HE1 H 6.908 . .
100 . 15 TYR CA C 62.071 . .
101 . 15 TYR CB C 38.561 . .
102 . 15 TYR CD1 C 132.883 . .
103 . 15 TYR CE1 C 118.389 . .
104 . 15 TYR N N 118.981 . .
105 . 16 SER H H 8.207 . .
106 . 16 SER HA H 4.202 . .
107 . 16 SER HB2 H 4.057 . .
108 . 16 SER HB3 H 3.943 . .
109 . 16 SER CA C 58.027 . .
110 . 16 SER CB C 62.009 . .
111 . 16 SER N N 112.198 . .
112 . 17 THR H H 8.032 . .
113 . 17 THR HA H 3.959 . .
114 . 17 THR HB H 4.283 . .
115 . 17 THR HG2 H 1.170 . .
116 . 17 THR CA C 66.738 . .
117 . 17 THR CB C 68.481 . .
118 . 17 THR CG2 C 21.440 . .
119 . 17 THR N N 120.371 . .
120 . 18 LEU H H 8.504 . .
121 . 18 LEU HA H 3.295 . .
122 . 18 LEU HB2 H 1.552 . .
123 . 18 LEU HB3 H 0.351 . .
124 . 18 LEU HG H 1.698 . .
125 . 18 LEU HD1 H 0.512 . .
126 . 18 LEU HD2 H -0.163 . .
127 . 18 LEU CA C 57.778 . .
128 . 18 LEU CB C 39.609 . .
129 . 18 LEU CG C 24.675 . .
130 . 18 LEU CD1 C 25.423 . .
131 . 18 LEU CD2 C 19.983 . .
132 . 18 LEU N N 120.689 . .
133 . 19 LYS H H 8.572 . .
134 . 19 LYS HA H 3.715 . .
135 . 19 LYS HB2 H 1.729 . .
136 . 19 LYS HB3 H 1.398 . .
137 . 19 LYS HG2 H 1.283 . .
138 . 19 LYS HD2 H 1.648 . .
139 . 19 LYS HE2 H 2.958 . .
140 . 19 LYS CA C 59.898 . .
141 . 19 LYS CB C 32.391 . .
142 . 19 LYS CG C 24.676 . .
143 . 19 LYS CD C 29.654 . .
144 . 19 LYS CE C 41.850 . .
145 . 19 LYS N N 118.682 . .
146 . 20 SER H H 7.550 . .
147 . 20 SER HA H 4.318 . .
148 . 20 SER HB2 H 4.084 . .
149 . 20 SER CA C 61.263 . .
150 . 20 SER CB C 62.759 . .
151 . 20 SER N N 113.278 . .
152 . 21 ILE H H 7.950 . .
153 . 21 ILE HA H 3.790 . .
154 . 21 ILE HB H 1.937 . .
155 . 21 ILE HG12 H 1.765 . .
156 . 21 ILE HG13 H 1.066 . .
157 . 21 ILE HG2 H 1.015 . .
158 . 21 ILE HD1 H 0.645 . .
159 . 21 ILE CA C 65.244 . .
160 . 21 ILE CB C 37.547 . .
161 . 21 ILE CG1 C 28.409 . .
162 . 21 ILE CG2 C 17.299 . .
163 . 21 ILE CD1 C 13.476 . .
164 . 21 ILE N N 120.689 . .
165 . 22 LEU H H 8.834 . .
166 . 22 LEU HA H 4.150 . .
167 . 22 LEU HB2 H 2.134 . .
168 . 22 LEU HB3 H 1.725 . .
169 . 22 LEU HG H 1.793 . .
170 . 22 LEU HD1 H 1.108 . .
171 . 22 LEU HD2 H 1.050 . .
172 . 22 LEU CA C 58.320 . .
173 . 22 LEU CB C 41.674 . .
174 . 22 LEU CG C 27.414 . .
175 . 22 LEU CD1 C 26.418 . .
176 . 22 LEU CD2 C 23.776 . .
177 . 22 LEU N N 120.072 . .
178 . 23 GLN H H 8.535 . .
179 . 23 GLN HA H 4.064 . .
180 . 23 GLN HB2 H 2.367 . .
181 . 23 GLN HB3 H 2.270 . .
182 . 23 GLN HG2 H 2.568 . .
183 . 23 GLN HG3 H 2.487 . .
184 . 23 GLN CA C 59.520 . .
185 . 23 GLN CB C 28.160 . .
186 . 23 GLN CG C 33.884 . .
187 . 23 GLN N N 117.293 . .
188 . 24 GLN H H 8.028 . .
189 . 24 GLN HA H 4.212 . .
190 . 24 GLN HB2 H 2.510 . .
191 . 24 GLN HB3 H 2.400 . .
192 . 24 GLN HG2 H 2.867 . .
193 . 24 GLN HG3 H 2.491 . .
194 . 24 GLN HE21 H 7.044 . .
195 . 24 GLN HE22 H 6.893 . .
196 . 24 GLN CA C 59.520 . .
197 . 24 GLN CB C 29.654 . .
198 . 24 GLN CG C 35.378 . .
199 . 24 GLN CD C 180.060 . .
200 . 24 GLN N N 118.836 . .
201 . 24 GLN NE2 N 110.317 . .
202 . 25 VAL H H 8.536 . .
203 . 25 VAL HA H 3.869 . .
204 . 25 VAL HB H 2.439 . .
205 . 25 VAL HG1 H 1.239 . .
206 . 25 VAL HG2 H 1.086 . .
207 . 25 VAL CA C 67.236 . .
208 . 25 VAL CB C 31.644 . .
209 . 25 VAL CG1 C 23.033 . .
210 . 25 VAL CG2 C 22.187 . .
211 . 25 VAL N N 119.763 . .
212 . 26 LYS H H 8.580 . .
213 . 26 LYS HA H 3.949 . .
214 . 26 LYS HB2 H 1.909 . .
215 . 26 LYS HG2 H 1.532 . .
216 . 26 LYS HD2 H 1.839 . .
217 . 26 LYS HE2 H 2.886 . .
218 . 26 LYS CA C 59.507 . .
219 . 26 LYS CB C 32.889 . .
220 . 26 LYS CG C 26.885 . .
221 . 26 LYS CD C 31.147 . .
222 . 26 LYS CE C 40.854 . .
223 . 26 LYS N N 114.668 . .
224 . 27 SER H H 7.568 . .
225 . 27 SER HA H 4.479 . .
226 . 27 SER HB2 H 4.043 . .
227 . 27 SER CA C 58.713 . .
228 . 27 SER CB C 63.955 . .
229 . 27 SER N N 110.654 . .
230 . 28 HIS H H 7.572 . .
231 . 28 HIS HA H 4.011 . .
232 . 28 HIS HB2 H 3.027 . .
233 . 28 HIS HB3 H 2.809 . .
234 . 28 HIS HD2 H 5.016 . .
235 . 28 HIS HE1 H 7.597 . .
236 . 28 HIS CA C 58.276 . .
237 . 28 HIS CB C 32.251 . .
238 . 28 HIS CD2 C 117.147 . .
239 . 28 HIS CE1 C 137.645 . .
240 . 28 HIS N N 125.630 . .
241 . 29 GLN H H 8.624 . .
242 . 29 GLN HA H 4.217 . .
243 . 29 GLN HB2 H 2.125 . .
244 . 29 GLN HG2 H 2.505 . .
245 . 29 GLN HG3 H 2.412 . .
246 . 29 GLN HE21 H 7.583 . .
247 . 29 GLN HE22 H 6.884 . .
248 . 29 GLN CA C 59.023 . .
249 . 29 GLN CB C 28.409 . .
250 . 29 GLN CG C 33.635 . .
251 . 29 GLN N N 129.026 . .
252 . 29 GLN NE2 N 112.217 . .
253 . 30 SER H H 0.079 . .
254 . 30 SER HA H 4.821 . .
255 . 30 SER HB2 H 4.338 . .
256 . 30 SER HB3 H 3.975 . .
257 . 30 SER CA C 60.018 . .
258 . 30 SER CB C 63.503 . .
259 . 30 SER N N 118.991 . .
260 . 31 ALA H H 7.934 . .
261 . 31 ALA HA H 4.428 . .
262 . 31 ALA HB H 1.764 . .
263 . 31 ALA CA C 53.233 . .
264 . 31 ALA CB C 20.014 . .
265 . 31 ALA N N 117.756 . .
266 . 32 TRP H H 7.087 . .
267 . 32 TRP HA H 4.438 . .
268 . 32 TRP HB2 H 3.656 . .
269 . 32 TRP HB3 H 3.419 . .
270 . 32 TRP HD1 H 7.875 . .
271 . 32 TRP HE1 H 10.414 . .
272 . 32 TRP HE3 H 7.382 . .
273 . 32 TRP HZ2 H 7.272 . .
274 . 32 TRP HZ3 H 7.185 . .
275 . 32 TRP HH2 H 7.127 . .
276 . 32 TRP CA C 60.516 . .
277 . 32 TRP CB C 27.912 . .
278 . 32 TRP CD1 C 127.292 . .
279 . 32 TRP CE3 C 121.081 . .
280 . 32 TRP CZ2 C 114.662 . .
281 . 32 TRP CZ3 C 121.288 . .
282 . 32 TRP CH2 C 124.808 . .
283 . 32 TRP N N 116.521 . .
284 . 33 PRO HA H 3.986 . .
285 . 33 PRO HB2 H 1.044 . .
286 . 33 PRO HB3 H -0.094 . .
287 . 33 PRO HG2 H 0.285 . .
288 . 33 PRO HG3 H -0.709 . .
289 . 33 PRO HD2 H 2.265 . .
290 . 33 PRO HD3 H 1.633 . .
291 . 33 PRO CA C 64.498 . .
292 . 33 PRO CB C 30.152 . .
293 . 33 PRO CG C 25.671 . .
294 . 33 PRO CD C 50.062 . .
295 . 34 PHE H H 7.584 . .
296 . 34 PHE HA H 5.214 . .
297 . 34 PHE HB2 H 3.582 . .
298 . 34 PHE HB3 H 2.640 . .
299 . 34 PHE HD1 H 7.243 . .
300 . 34 PHE HE1 H 7.194 . .
301 . 34 PHE HZ H 7.290 . .
302 . 34 PHE CA C 55.777 . .
303 . 34 PHE CB C 39.111 . .
304 . 34 PHE CD1 C 132.025 . .
305 . 34 PHE N N 112.352 . .
306 . 35 MET H H 7.306 . .
307 . 35 MET HA H 4.371 . .
308 . 35 MET HB2 H 2.288 . .
309 . 35 MET HB3 H 2.231 . .
310 . 35 MET HG2 H 2.902 . .
311 . 35 MET HE H 2.213 . .
312 . 35 MET CA C 57.031 . .
313 . 35 MET CB C 32.143 . .
314 . 35 MET CG C 33.138 . .
315 . 35 MET CE C 16.711 . .
316 . 35 MET N N 117.910 . .
317 . 36 GLU H H 7.635 . .
318 . 36 GLU HA H 4.809 . .
319 . 36 GLU HB2 H 2.142 . .
320 . 36 GLU HB3 H 1.771 . .
321 . 36 GLU HG2 H 2.216 . .
322 . 36 GLU CA C 53.298 . .
323 . 36 GLU CB C 31.396 . .
324 . 36 GLU CG C 35.876 . .
325 . 36 GLU N N 113.278 . .
326 . 37 PRO HA H 4.253 . .
327 . 37 PRO HB2 H 2.338 . .
328 . 37 PRO HB3 H 1.631 . .
329 . 37 PRO HG2 H 2.169 . .
330 . 37 PRO HG3 H 1.977 . .
331 . 37 PRO HD2 H 3.683 . .
332 . 37 PRO CA C 62.756 . .
333 . 37 PRO CB C 31.894 . .
334 . 37 PRO CG C 27.164 . .
335 . 37 PRO CD C 50.560 . .
336 . 38 VAL H H 8.335 . .
337 . 38 VAL HA H 3.257 . .
338 . 38 VAL HB H 0.852 . .
339 . 38 VAL HG1 H 0.151 . .
340 . 38 VAL HG2 H -0.371 . .
341 . 38 VAL CA C 63.751 . .
342 . 38 VAL CB C 32.143 . .
343 . 38 VAL CG1 C 21.690 . .
344 . 38 VAL CG2 C 21.441 . .
345 . 38 VAL N N 125.475 . .
346 . 39 LYS H H 9.725 . .
347 . 39 LYS HA H 4.513 . .
348 . 39 LYS HB2 H 1.975 . .
349 . 39 LYS HB3 H 1.543 . .
350 . 39 LYS HG2 H 1.467 . .
351 . 39 LYS HG3 H 1.417 . .
352 . 39 LYS HD2 H 1.751 . .
353 . 39 LYS HD3 H 1.573 . .
354 . 39 LYS HE2 H 2.966 . .
355 . 39 LYS HE3 H 2.965 . .
356 . 39 LYS CA C 55.787 . .
357 . 39 LYS CB C 33.636 . .
358 . 39 LYS CG C 25.447 . .
359 . 39 LYS CD C 29.156 . .
360 . 39 LYS CE C 40.605 . .
361 . 39 LYS N N 110.808 . .
362 . 40 ARG H H 8.094 . .
363 . 40 ARG HA H 3.722 . .
364 . 40 ARG HB2 H 1.935 . .
365 . 40 ARG HB3 H 1.816 . .
366 . 40 ARG HG2 H 1.465 . .
367 . 40 ARG HG3 H 1.322 . .
368 . 40 ARG CB C 29.654 . .
369 . 40 ARG N N 120.844 . .
370 . 41 THR HA H 4.061 . .
371 . 41 THR HB H 4.316 . .
372 . 41 THR HG2 H 1.274 . .
373 . 41 THR CA C 63.004 . .
374 . 41 THR CB C 68.480 . .
375 . 41 THR CG2 C 22.436 . .
376 . 42 GLU H H 7.185 . .
377 . 42 GLU HA H 4.616 . .
378 . 42 GLU HB2 H 2.389 . .
379 . 42 GLU HB3 H 1.880 . .
380 . 42 GLU HG2 H 2.585 . .
381 . 42 GLU HG3 H 2.060 . .
382 . 42 GLU CA C 55.787 . .
383 . 42 GLU CB C 30.898 . .
384 . 42 GLU CG C 35.378 . .
385 . 42 GLU N N 118.528 . .
386 . 43 ALA H H 6.803 . .
387 . 43 ALA HA H 4.921 . .
388 . 43 ALA HB H 0.735 . .
389 . 43 ALA CA C 49.565 . .
390 . 43 ALA CB C 20.196 . .
391 . 43 ALA N N 121.461 . .
392 . 44 PRO HA H 4.525 . .
393 . 44 PRO HB2 H 2.392 . .
394 . 44 PRO HB3 H 2.061 . .
395 . 44 PRO HG2 H 2.228 . .
396 . 44 PRO HG3 H 2.074 . .
397 . 44 PRO HD2 H 3.765 . .
398 . 44 PRO HD3 H 3.598 . .
399 . 44 PRO CA C 64.249 . .
400 . 44 PRO CB C 31.645 . .
401 . 44 PRO CG C 27.663 . .
402 . 44 PRO CD C 50.311 . .
403 . 45 GLY HA2 H 3.881 . .
404 . 45 GLY CA C 43.343 . .
405 . 46 TYR H H 8.054 . .
406 . 46 TYR HA H 3.421 . .
407 . 46 TYR HB2 H 2.701 . .
408 . 46 TYR HB3 H 2.289 . .
409 . 46 TYR HD1 H 4.915 . .
410 . 46 TYR HE1 H 5.998 . .
411 . 46 TYR CA C 62.756 . .
412 . 46 TYR CB C 39.609 . .
413 . 46 TYR CD1 C 132.676 . .
414 . 46 TYR CE1 C 116.733 . .
415 . 46 TYR N N 122.696 . .
416 . 47 TYR H H 8.583 . .
417 . 47 TYR HA H 4.189 . .
418 . 47 TYR HB2 H 3.229 . .
419 . 47 TYR HB3 H 2.801 . .
420 . 47 TYR HD1 H 7.340 . .
421 . 47 TYR HE1 H 6.624 . .
422 . 47 TYR CA C 60.516 . .
423 . 47 TYR CB C 36.871 . .
424 . 47 TYR CD1 C 133.090 . .
425 . 47 TYR CE1 C 117.354 . .
426 . 47 TYR N N 112.661 . .
427 . 48 GLU H H 7.688 . .
428 . 48 GLU HA H 4.251 . .
429 . 48 GLU HB2 H 2.180 . .
430 . 48 GLU HB3 H 2.112 . .
431 . 48 GLU HG2 H 2.384 . .
432 . 48 GLU HG3 H 2.233 . .
433 . 48 GLU CA C 57.778 . .
434 . 48 GLU CB C 31.147 . .
435 . 48 GLU CG C 37.120 . .
436 . 48 GLU N N 118.064 . .
437 . 49 VAL H H 7.135 . .
438 . 49 VAL HA H 4.077 . .
439 . 49 VAL HB H 2.021 . .
440 . 49 VAL HG1 H 0.985 . .
441 . 49 VAL HG2 H 1.068 . .
442 . 49 VAL CA C 63.004 . .
443 . 49 VAL CB C 33.636 . .
444 . 49 VAL CG1 C 20.943 . .
445 . 49 VAL CG2 C 20.694 . .
446 . 49 VAL N N 115.594 . .
447 . 50 ILE H H 8.103 . .
448 . 50 ILE HA H 3.933 . .
449 . 50 ILE HB H 1.296 . .
450 . 50 ILE HG12 H 0.810 . .
451 . 50 ILE HG13 H 0.071 . .
452 . 50 ILE HG2 H 0.393 . .
453 . 50 ILE HD1 H 0.553 . .
454 . 50 ILE CA C 57.280 . .
455 . 50 ILE CB C 34.133 . .
456 . 50 ILE CG1 C 24.427 . .
457 . 50 ILE CG2 C 16.175 . .
458 . 50 ILE CD1 C 9.245 . .
459 . 50 ILE N N 122.542 . .
460 . 51 ARG H H 7.693 . .
461 . 51 ARG HA H 3.902 . .
462 . 51 ARG HB2 H 1.364 . .
463 . 51 ARG HB3 H 1.187 . .
464 . 51 ARG HG2 H 1.335 . .
465 . 51 ARG HG3 H 1.198 . .
466 . 51 ARG HD2 H 3.007 . .
467 . 51 ARG CA C 57.031 . .
468 . 51 ARG CB C 30.401 . .
469 . 51 ARG CG C 26.916 . .
470 . 51 ARG CD C 42.596 . .
471 . 51 ARG N N 125.321 . .
472 . 52 PHE H H 8.445 . .
473 . 52 PHE HA H 5.030 . .
474 . 52 PHE HB2 H 3.071 . .
475 . 52 PHE HB3 H 2.953 . .
476 . 52 PHE HD1 H 7.278 . .
477 . 52 PHE HE1 H 7.255 . .
478 . 52 PHE HZ H 7.327 . .
479 . 52 PHE CA C 54.294 . .
480 . 52 PHE CB C 38.499 . .
481 . 52 PHE CD1 C 132.262 . .
482 . 52 PHE CE1 C 131.640 . .
483 . 52 PHE CZ C 128.742 . .
484 . 52 PHE N N 116.829 . .
485 . 53 PRO HA H 4.092 . .
486 . 53 PRO HB2 H 2.249 . .
487 . 53 PRO HG2 H 2.222 . .
488 . 53 PRO HG3 H 1.926 . .
489 . 53 PRO HD2 H 3.665 . .
490 . 53 PRO HD3 H 3.397 . .
491 . 53 PRO CA C 63.005 . .
492 . 53 PRO CB C 32.392 . .
493 . 53 PRO CG C 27.663 . .
494 . 53 PRO CD C 50.311 . .
495 . 54 MET H H 8.313 . .
496 . 54 MET HA H 4.964 . .
497 . 54 MET HB2 H 2.019 . .
498 . 54 MET HB3 H 1.358 . .
499 . 54 MET HG2 H 2.740 . .
500 . 54 MET HG3 H 1.880 . .
501 . 54 MET HE H 1.983 . .
502 . 54 MET CA C 53.547 . .
503 . 54 MET CB C 31.147 . .
504 . 54 MET CG C 30.649 . .
505 . 54 MET CE C 14.027 . .
506 . 54 MET N N 118.836 . .
507 . 55 ASP H H 7.373 . .
508 . 55 ASP HA H 4.812 . .
509 . 55 ASP HB2 H 2.367 . .
510 . 55 ASP CA C 53.298 . .
511 . 55 ASP CB C 44.089 . .
512 . 55 ASP N N 118.836 . .
513 . 56 LEU H H 9.250 . .
514 . 56 LEU HA H 4.066 . .
515 . 56 LEU HB2 H 2.115 . .
516 . 56 LEU HB3 H 1.459 . .
517 . 56 LEU HG H 1.774 . .
518 . 56 LEU HD1 H 0.979 . .
519 . 56 LEU HD2 H 0.690 . .
520 . 56 LEU CA C 57.778 . .
521 . 56 LEU CB C 41.102 . .
522 . 56 LEU CG C 27.414 . .
523 . 56 LEU CD1 C 26.930 . .
524 . 56 LEU CD2 C 22.436 . .
525 . 56 LEU N N 116.366 . .
526 . 57 LYS H H 8.792 . .
527 . 57 LYS HA H 4.247 . .
528 . 57 LYS HB2 H 2.368 . .
529 . 57 LYS HB3 H 2.279 . .
530 . 57 LYS HG2 H 1.535 . .
531 . 57 LYS HG3 H 1.446 . .
532 . 57 LYS HD2 H 1.838 . .
533 . 57 LYS HD3 H 1.707 . .
534 . 57 LYS HE2 H 3.009 . .
535 . 57 LYS CA C 60.255 . .
536 . 57 LYS CB C 31.894 . .
537 . 57 LYS CG C 25.144 . .
538 . 57 LYS CD C 29.903 . .
539 . 57 LYS CE C 41.849 . .
540 . 57 LYS N N 128.254 . .
541 . 58 THR H H 9.394 . .
542 . 58 THR HA H 3.873 . .
543 . 58 THR HB H 4.108 . .
544 . 58 THR HG2 H 1.079 . .
545 . 58 THR CA C 66.738 . .
546 . 58 THR CB C 67.461 . .
547 . 58 THR CG2 C 21.937 . .
548 . 58 THR N N 122.233 . .
549 . 59 MET H H 7.899 . .
550 . 59 MET HA H 4.322 . .
551 . 59 MET HB2 H 2.158 . .
552 . 59 MET HB3 H 1.941 . .
553 . 59 MET HG2 H 2.641 . .
554 . 59 MET HG3 H 2.553 . .
555 . 59 MET HE H 1.296 . .
556 . 59 MET CA C 60.516 . .
557 . 59 MET CB C 33.138 . .
558 . 59 MET CG C 33.138 . .
559 . 59 MET CE C 16.214 . .
560 . 59 MET N N 117.756 . .
561 . 60 SER H H 7.987 . .
562 . 60 SER HA H 4.426 . .
563 . 60 SER HB2 H 4.229 . .
564 . 60 SER HB3 H 4.058 . .
565 . 60 SER CA C 62.615 . .
566 . 60 SER CB C 62.756 . .
567 . 60 SER N N 116.366 . .
568 . 61 GLU H H 8.161 . .
569 . 61 GLU HA H 4.086 . .
570 . 61 GLU HB2 H 2.245 . .
571 . 61 GLU HB3 H 2.097 . .
572 . 61 GLU HG2 H 2.392 . .
573 . 61 GLU HG3 H 2.256 . .
574 . 61 GLU CA C 59.321 . .
575 . 61 GLU CB C 28.906 . .
576 . 61 GLU CG C 36.111 . .
577 . 61 GLU N N 124.549 . .
578 . 62 ARG H H 8.381 . .
579 . 62 ARG HA H 3.890 . .
580 . 62 ARG HB2 H 2.065 . .
581 . 62 ARG HB3 H 1.108 . .
582 . 62 ARG HG2 H 1.732 . .
583 . 62 ARG HG3 H 0.903 . .
584 . 62 ARG HD2 H 2.602 . .
585 . 62 ARG HD3 H 2.069 . .
586 . 62 ARG CA C 60.267 . .
587 . 62 ARG CB C 30.401 . .
588 . 62 ARG CG C 29.155 . .
589 . 62 ARG CD C 43.840 . .
590 . 62 ARG N N 120.380 . .
591 . 63 LEU H H 8.885 . .
592 . 63 LEU HA H 4.706 . .
593 . 63 LEU HB2 H 2.331 . .
594 . 63 LEU HB3 H 1.960 . .
595 . 63 LEU HG H 1.841 . .
596 . 63 LEU HD1 H 0.919 . .
597 . 63 LEU HD2 H 1.077 . .
598 . 63 LEU CA C 58.276 . .
599 . 63 LEU CB C 42.098 . .
600 . 63 LEU CG C 27.165 . .
601 . 63 LEU CD1 C 26.916 . .
602 . 63 LEU CD2 C 25.423 . .
603 . 63 LEU N N 120.380 . .
604 . 64 LYS H H 7.975 . .
605 . 64 LYS HA H 4.376 . .
606 . 64 LYS HB2 H 2.067 . .
607 . 64 LYS HB3 H 2.079 . .
608 . 64 LYS HG2 H 1.630 . .
609 . 64 LYS HD2 H 1.793 . .
610 . 64 LYS HE2 H 3.026 . .
611 . 64 LYS HE3 H 3.025 . .
612 . 64 LYS CA C 59.271 . .
613 . 64 LYS CB C 32.143 . .
614 . 64 LYS CG C 24.925 . .
615 . 64 LYS CD C 29.405 . .
616 . 64 LYS CE C 42.098 . .
617 . 64 LYS N N 119.917 . .
618 . 65 ASN H H 7.960 . .
619 . 65 ASN HA H 4.807 . .
620 . 65 ASN HB2 H 3.037 . .
621 . 65 ASN HB3 H 2.794 . .
622 . 65 ASN HD21 H 7.605 . .
623 . 65 ASN HD22 H 6.973 . .
624 . 65 ASN CA C 53.298 . .
625 . 65 ASN CB C 38.160 . .
626 . 65 ASN N N 116.212 . .
627 . 65 ASN ND2 N 112.352 . .
628 . 66 ARG H H 8.184 . .
629 . 66 ARG HA H 4.429 . .
630 . 66 ARG HB2 H 2.114 . .
631 . 66 ARG HB3 H 2.036 . .
632 . 66 ARG HG2 H 1.588 . .
633 . 66 ARG HG3 H 1.542 . .
634 . 66 ARG HD2 H 3.110 . .
635 . 66 ARG HD3 H 3.067 . .
636 . 66 ARG CA C 56.533 . .
637 . 66 ARG CB C 25.422 . .
638 . 66 ARG CG C 27.662 . .
639 . 66 ARG CD C 42.596 . .
640 . 66 ARG N N 114.205 . .
641 . 67 TYR H H 8.225 . .
642 . 67 TYR HA H 4.086 . .
643 . 67 TYR HB2 H 2.975 . .
644 . 67 TYR HB3 H 2.093 . .
645 . 67 TYR HD1 H 6.320 . .
646 . 67 TYR HE1 H 6.737 . .
647 . 67 TYR CA C 60.018 . .
648 . 67 TYR CB C 40.605 . .
649 . 67 TYR CD1 C 133.297 . .
650 . 67 TYR CE1 C 117.561 . .
651 . 67 TYR N N 116.829 . .
652 . 68 TYR H H 8.011 . .
653 . 68 TYR HA H 4.562 . .
654 . 68 TYR HB2 H 3.104 . .
655 . 68 TYR HB3 H 2.918 . .
656 . 68 TYR HD1 H 7.189 . .
657 . 68 TYR HE1 H 7.331 . .
658 . 68 TYR CA C 57.778 . .
659 . 68 TYR CB C 36.077 . .
660 . 68 TYR CD1 C 131.847 . .
661 . 68 TYR CE1 C 119.010 . .
662 . 68 TYR N N 114.822 . .
663 . 69 VAL H H 7.689 . .
664 . 69 VAL HA H 4.110 . .
665 . 69 VAL HB H 2.337 . .
666 . 69 VAL HG1 H 0.977 . .
667 . 69 VAL HG2 H 0.848 . .
668 . 69 VAL CA C 62.009 . .
669 . 69 VAL CB C 31.411 . .
670 . 69 VAL CG1 C 21.441 . .
671 . 69 VAL CG2 C 18.703 . .
672 . 69 VAL N N 115.903 . .
673 . 70 SER H H 7.432 . .
674 . 70 SER HA H 4.802 . .
675 . 70 SER HB2 H 4.214 . .
676 . 70 SER HB3 H 3.753 . .
677 . 70 SER CA C 55.538 . .
678 . 70 SER CB C 66.240 . .
679 . 70 SER N N 111.426 . .
680 . 71 LYS HA H 4.514 . .
681 . 71 LYS CA C 55.787 . .
682 . 72 LYS H H 8.259 . .
683 . 72 LYS HA H 4.069 . .
684 . 72 LYS HB2 H 1.893 . .
685 . 72 LYS HB3 H 1.857 . .
686 . 72 LYS HG2 H 1.505 . .
687 . 72 LYS HD2 H 1.673 . .
688 . 72 LYS HE2 H 3.237 . .
689 . 72 LYS CA C 59.520 . .
690 . 72 LYS CB C 31.644 . .
691 . 72 LYS CG C 24.675 . .
692 . 72 LYS CD C 28.409 . .
693 . 72 LYS CE C 41.351 . .
694 . 72 LYS N N 120.226 . .
695 . 73 LEU H H 7.420 . .
696 . 73 LEU HA H 4.251 . .
697 . 73 LEU HB2 H 2.022 . .
698 . 73 LEU HB3 H 1.920 . .
699 . 73 LEU HG H 1.787 . .
700 . 73 LEU HD1 H 0.969 . .
701 . 73 LEU HD2 H 0.919 . .
702 . 73 LEU CA C 57.778 . .
703 . 73 LEU CB C 43.591 . .
704 . 73 LEU CG C 27.414 . .
705 . 73 LEU CD1 C 25.758 . .
706 . 73 LEU CD2 C 23.432 . .
707 . 73 LEU N N 118.836 . .
708 . 74 PHE H H 6.945 . .
709 . 74 PHE HA H 3.778 . .
710 . 74 PHE HB2 H 2.988 . .
711 . 74 PHE HB3 H 2.432 . .
712 . 74 PHE HD1 H 6.415 . .
713 . 74 PHE HE1 H 6.960 . .
714 . 74 PHE HZ H 7.060 . .
715 . 74 PHE CA C 60.765 . .
716 . 74 PHE CB C 39.609 . .
717 . 74 PHE CD1 C 132.262 . .
718 . 74 PHE CE1 C 130.191 . .
719 . 74 PHE N N 118.836 . .
720 . 75 MET H H 8.509 . .
721 . 75 MET HA H 3.945 . .
722 . 75 MET HB2 H 2.339 . .
723 . 75 MET HB3 H 2.229 . .
724 . 75 MET HG2 H 2.954 . .
725 . 75 MET HG3 H 2.631 . .
726 . 75 MET HE H 2.094 . .
727 . 75 MET CA C 59.022 . .
728 . 75 MET CB C 32.391 . .
729 . 75 MET CG C 32.292 . .
730 . 75 MET CE C 16.961 . .
731 . 75 MET N N 116.366 . .
732 . 76 ALA H H 8.016 . .
733 . 76 ALA HA H 4.102 . .
734 . 76 ALA HB H 1.520 . .
735 . 76 ALA CA C 55.040 . .
736 . 76 ALA CB C 18.204 . .
737 . 76 ALA N N 119.917 . .
738 . 77 ASP H H 7.385 . .
739 . 77 ASP HA H 4.371 . .
740 . 77 ASP HB2 H 2.742 . .
741 . 77 ASP CA C 57.529 . .
742 . 77 ASP CB C 38.614 . .
743 . 77 ASP N N 119.763 . .
744 . 78 LEU H H 7.408 . .
745 . 78 LEU HA H 3.413 . .
746 . 78 LEU HB2 H 0.758 . .
747 . 78 LEU HB3 H 0.468 . .
748 . 78 LEU HG H 0.700 . .
749 . 78 LEU HD1 H 0.103 . .
750 . 78 LEU HD2 H 0.213 . .
751 . 78 LEU CA C 57.778 . .
752 . 78 LEU CB C 40.107 . .
753 . 78 LEU CG C 27.663 . .
754 . 78 LEU CD1 C 25.921 . .
755 . 78 LEU CD2 C 24.177 . .
756 . 78 LEU N N 119.608 . .
757 . 79 GLN H H 8.085 . .
758 . 79 GLN HA H 3.826 . .
759 . 79 GLN HB2 H 2.201 . .
760 . 79 GLN HB3 H 2.083 . .
761 . 79 GLN HG2 H 2.450 . .
762 . 79 GLN HG3 H 2.461 . .
763 . 79 GLN HE21 H 7.301 . .
764 . 79 GLN HE22 H 7.195 . .
765 . 79 GLN CA C 59.022 . .
766 . 79 GLN CB C 28.907 . .
767 . 79 GLN CG C 35.331 . .
768 . 79 GLN CD C 180.113 . .
769 . 79 GLN N N 114.050 . .
770 . 79 GLN NE2 N 111.271 . .
771 . 80 ARG H H 7.387 . .
772 . 80 ARG HA H 4.085 . .
773 . 80 ARG HB2 H 2.004 . .
774 . 80 ARG HB3 H 1.920 . .
775 . 80 ARG HG2 H 1.754 . .
776 . 80 ARG HD2 H 3.392 . .
777 . 80 ARG HD3 H 3.323 . .
778 . 80 ARG CA C 58.276 . .
779 . 80 ARG CB C 29.653 . .
780 . 80 ARG CG C 26.916 . .
781 . 80 ARG CD C 43.094 . .
782 . 80 ARG N N 118.682 . .
783 . 81 VAL H H 6.970 . .
784 . 81 VAL HA H 3.118 . .
785 . 81 VAL HB H 1.488 . .
786 . 81 VAL HG1 H 0.504 . .
787 . 81 VAL HG2 H 0.154 . .
788 . 81 VAL CA C 66.493 . .
789 . 81 VAL CB C 30.649 . .
790 . 81 VAL CG1 C 22.187 . .
791 . 81 VAL CG2 C 21.720 . .
792 . 81 VAL N N 117.910 . .
793 . 82 PHE H H 6.381 . .
794 . 82 PHE HA H 4.180 . .
795 . 82 PHE HB2 H 3.140 . .
796 . 82 PHE HB3 H 2.999 . .
797 . 82 PHE HD1 H 6.700 . .
798 . 82 PHE HE1 H 6.522 . .
799 . 82 PHE HZ H 6.471 . .
800 . 82 PHE CA C 58.500 . .
801 . 82 PHE CB C 37.867 . .
802 . 82 PHE CD1 C 131.019 . .
803 . 82 PHE CE1 C 130.812 . .
804 . 82 PHE CZ C 128.121 . .
805 . 82 PHE N N 116.984 . .
806 . 83 THR H H 9.063 . .
807 . 83 THR HA H 3.877 . .
808 . 83 THR HB H 4.233 . .
809 . 83 THR HG2 H 1.327 . .
810 . 83 THR CA C 66.573 . .
811 . 83 THR CB C 68.231 . .
812 . 83 THR CG2 C 22.216 . .
813 . 83 THR N N 114.977 . .
814 . 84 ASN H H 8.889 . .
815 . 84 ASN HA H 4.329 . .
816 . 84 ASN HB2 H 3.055 . .
817 . 84 ASN HB3 H 2.624 . .
818 . 84 ASN CA C 55.289 . .
819 . 84 ASN CB C 37.618 . .
820 . 84 ASN N N 120.998 . .
821 . 85 CYS H H 6.926 . .
822 . 85 CYS HA H 4.548 . .
823 . 85 CYS HB2 H 3.398 . .
824 . 85 CYS HB3 H 3.083 . .
825 . 85 CYS CA C 61.746 . .
826 . 85 CYS CB C 26.666 . .
827 . 85 CYS N N 117.138 . .
828 . 86 LYS H H 7.730 . .
829 . 86 LYS HA H 4.245 . .
830 . 86 LYS HB2 H 1.780 . .
831 . 86 LYS HG2 H 1.306 . .
832 . 86 LYS HG3 H 0.094 . .
833 . 86 LYS HD2 H 1.366 . .
834 . 86 LYS HD3 H 1.310 . .
835 . 86 LYS HE2 H 2.519 . .
836 . 86 LYS HE3 H 2.466 . .
837 . 86 LYS CA C 58.499 . .
838 . 86 LYS CB C 32.446 . .
839 . 86 LYS CG C 25.422 . .
840 . 86 LYS CD C 29.654 . .
841 . 86 LYS CE C 41.103 . .
842 . 86 LYS N N 116.984 . .
843 . 87 GLU H H 7.986 . .
844 . 87 GLU HA H 4.286 . .
845 . 87 GLU HB2 H 2.183 . .
846 . 87 GLU HB3 H 2.002 . .
847 . 87 GLU HG2 H 2.414 . .
848 . 87 GLU HG3 H 2.201 . .
849 . 87 GLU CA C 57.951 . .
850 . 87 GLU CB C 30.151 . .
851 . 87 GLU CG C 36.390 . .
852 . 87 GLU N N 118.373 . .
853 . 88 TYR H H 7.932 . .
854 . 88 TYR HA H 4.315 . .
855 . 88 TYR HB2 H 2.933 . .
856 . 88 TYR HB3 H 2.887 . .
857 . 88 TYR HD1 H 7.069 . .
858 . 88 TYR HE1 H 6.844 . .
859 . 88 TYR CA C 61.262 . .
860 . 88 TYR CB C 40.854 . .
861 . 88 TYR CD1 C 133.297 . .
862 . 88 TYR CE1 C 118.182 . .
863 . 88 TYR N N 115.903 . .
864 . 89 ASN H H 8.083 . .
865 . 89 ASN HA H 5.047 . .
866 . 89 ASN HB2 H 3.207 . .
867 . 89 ASN HB3 H 2.974 . .
868 . 89 ASN HD21 H 8.355 . .
869 . 89 ASN HD22 H 7.791 . .
870 . 89 ASN CA C 51.817 . .
871 . 89 ASN CB C 40.605 . .
872 . 89 ASN N N 115.285 . .
873 . 89 ASN ND2 N 119.416 . .
874 . 90 PRO HA H 4.844 . .
875 . 90 PRO HB2 H 2.414 . .
876 . 90 PRO HB3 H 2.188 . .
877 . 90 PRO HD2 H 4.016 . .
878 . 90 PRO HD3 H 3.849 . .
879 . 90 PRO CA C 61.262 . .
880 . 90 PRO CB C 31.147 . .
881 . 90 PRO CD C 50.311 . .
882 . 91 PRO HA H 2.499 . .
883 . 91 PRO HB2 H 1.612 . .
884 . 91 PRO HG2 H 1.981 . .
885 . 91 PRO HG3 H 1.701 . .
886 . 91 PRO HD2 H 3.688 . .
887 . 91 PRO HD3 H 3.683 . .
888 . 91 PRO CA C 63.751 . .
889 . 91 PRO CB C 31.645 . .
890 . 91 PRO CG C 27.414 . .
891 . 91 PRO CD C 50.560 . .
892 . 92 GLU H H 8.341 . .
893 . 92 GLU HA H 4.201 . .
894 . 92 GLU HB2 H 2.120 . .
895 . 92 GLU HB3 H 1.976 . .
896 . 92 GLU HG2 H 2.381 . .
897 . 92 GLU HG3 H 2.234 . .
898 . 92 GLU CA C 56.992 . .
899 . 92 GLU CB C 28.409 . .
900 . 92 GLU CG C 37.120 . .
901 . 92 GLU N N 112.970 . .
902 . 93 SER H H 8.046 . .
903 . 93 SER HA H 4.411 . .
904 . 93 SER HB2 H 4.283 . .
905 . 93 SER HB3 H 4.206 . .
906 . 93 SER CA C 58.276 . .
907 . 93 SER CB C 66.240 . .
908 . 93 SER N N 115.496 . .
909 . 94 GLU H H 9.149 . .
910 . 94 GLU HA H 4.235 . .
911 . 94 GLU HB2 H 2.138 . .
912 . 94 GLU HB3 H 2.034 . .
913 . 94 GLU HG2 H 2.248 . .
914 . 94 GLU CA C 59.082 . .
915 . 94 GLU CB C 28.658 . .
916 . 94 GLU CG C 36.060 . .
917 . 94 GLU N N 123.005 . .
918 . 95 TYR H H 6.653 . .
919 . 95 TYR HA H 3.596 . .
920 . 95 TYR HB2 H 2.903 . .
921 . 95 TYR HB3 H 2.443 . .
922 . 95 TYR HD1 H 6.519 . .
923 . 95 TYR HD2 H 6.868 . .
924 . 95 TYR HE1 H 6.595 . .
925 . 95 TYR CA C 60.018 . .
926 . 95 TYR CB C 38.863 . .
927 . 95 TYR CD1 C 130.812 . .
928 . 95 TYR CE1 C 118.389 . .
929 . 95 TYR N N 113.896 . .
930 . 96 TYR H H 7.336 . .
931 . 96 TYR HA H 3.806 . .
932 . 96 TYR HB2 H 3.414 . .
933 . 96 TYR HB3 H 2.542 . .
934 . 96 TYR HD1 H 7.097 . .
935 . 96 TYR HE1 H 7.028 . .
936 . 96 TYR CA C 61.597 . .
937 . 96 TYR CB C 40.107 . .
938 . 96 TYR CD1 C 134.953 . .
939 . 96 TYR CE1 C 117.975 . .
940 . 96 TYR N N 119.454 . .
941 . 97 LYS H H 7.893 . .
942 . 97 LYS HA H 4.205 . .
943 . 97 LYS HB2 H 2.067 . .
944 . 97 LYS HG2 H 1.831 . .
945 . 97 LYS HG3 H 1.551 . .
946 . 97 LYS HD2 H 1.771 . .
947 . 97 LYS HE2 H 3.006 . .
948 . 97 LYS CA C 60.516 . .
949 . 97 LYS CB C 32.392 . .
950 . 97 LYS CG C 25.672 . .
951 . 97 LYS CD C 29.653 . .
952 . 97 LYS CE C 41.866 . .
953 . 97 LYS N N 117.756 . .
954 . 98 CYS H H 8.452 . .
955 . 98 CYS HA H 4.201 . .
956 . 98 CYS HB2 H 3.425 . .
957 . 98 CYS HB3 H 3.069 . .
958 . 98 CYS CA C 64.996 . .
959 . 98 CYS CB C 26.655 . .
960 . 98 CYS N N 116.521 . .
961 . 99 ALA H H 8.208 . .
962 . 99 ALA HA H 3.931 . .
963 . 99 ALA HB H 1.657 . .
964 . 99 ALA CA C 55.289 . .
965 . 99 ALA CB C 18.323 . .
966 . 99 ALA N N 120.380 . .
967 . 100 ASN H H 8.092 . .
968 . 100 ASN HA H 4.375 . .
969 . 100 ASN HB2 H 2.920 . .
970 . 100 ASN HB3 H 2.894 . .
971 . 100 ASN CA C 56.036 . .
972 . 100 ASN CB C 38.863 . .
973 . 100 ASN N N 115.440 . .
974 . 101 ILE H H 7.936 . .
975 . 101 ILE HA H 3.688 . .
976 . 101 ILE HB H 1.939 . .
977 . 101 ILE HG12 H 1.871 . .
978 . 101 ILE HG13 H 1.213 . .
979 . 101 ILE HG2 H 1.020 . .
980 . 101 ILE HD1 H 0.981 . .
981 . 101 ILE CA C 64.747 . .
982 . 101 ILE CB C 38.862 . .
983 . 101 ILE CG1 C 29.404 . .
984 . 101 ILE CG2 C 17.706 . .
985 . 101 ILE CD1 C 13.475 . .
986 . 101 ILE N N 120.072 . .
987 . 102 LEU H H 8.543 . .
988 . 102 LEU HA H 3.722 . .
989 . 102 LEU HB2 H 1.492 . .
990 . 102 LEU HB3 H 1.289 . .
991 . 102 LEU HG H 1.625 . .
992 . 102 LEU HD1 H 0.788 . .
993 . 102 LEU HD2 H 0.791 . .
994 . 102 LEU CA C 56.534 . .
995 . 102 LEU CB C 41.600 . .
996 . 102 LEU CG C 26.666 . .
997 . 102 LEU CD1 C 25.173 . .
998 . 102 LEU CD2 C 24.188 . .
999 . 102 LEU N N 122.542 . .
1000 . 103 GLU H H 8.092 . .
1001 . 103 GLU HA H 3.225 . .
1002 . 103 GLU HB2 H 1.775 . .
1003 . 103 GLU HB3 H 1.339 . .
1004 . 103 GLU HG2 H 2.040 . .
1005 . 103 GLU HG3 H 1.971 . .
1006 . 103 GLU CA C 59.520 . .
1007 . 103 GLU CB C 29.816 . .
1008 . 103 GLU CG C 37.120 . .
1009 . 103 GLU N N 120.844 . .
1010 . 104 LYS H H 7.195 . .
1011 . 104 LYS HA H 4.109 . .
1012 . 104 LYS HB2 H 1.981 . .
1013 . 104 LYS HG2 H 1.538 . .
1014 . 104 LYS HG3 H 1.439 . .
1015 . 104 LYS HD2 H 1.748 . .
1016 . 104 LYS HE2 H 3.011 . .
1017 . 104 LYS CA C 59.520 . .
1018 . 104 LYS CB C 32.143 . .
1019 . 104 LYS CG C 25.174 . .
1020 . 104 LYS CD C 29.053 . .
1021 . 104 LYS CE C 41.855 . .
1022 . 104 LYS N N 117.601 . .
1023 . 105 PHE H H 7.901 . .
1024 . 105 PHE HA H 4.354 . .
1025 . 105 PHE HB2 H 3.159 . .
1026 . 105 PHE HB3 H 3.104 . .
1027 . 105 PHE HD1 H 7.218 . .
1028 . 105 PHE HE1 H 7.345 . .
1029 . 105 PHE HZ H 7.473 . .
1030 . 105 PHE CA C 61.431 . .
1031 . 105 PHE CB C 39.112 . .
1032 . 105 PHE CD1 C 131.976 . .
1033 . 105 PHE N N 121.152 . .
1034 . 106 PHE H H 9.159 . .
1035 . 106 PHE HA H 4.006 . .
1036 . 106 PHE HB2 H 3.342 . .
1037 . 106 PHE HB3 H 3.140 . .
1038 . 106 PHE HD1 H 6.952 . .
1039 . 106 PHE HE1 H 7.066 . .
1040 . 106 PHE HZ H 7.331 . .
1041 . 106 PHE CA C 60.516 . .
1042 . 106 PHE CB C 38.614 . .
1043 . 106 PHE CD1 C 132.273 . .
1044 . 106 PHE CE1 C 131.138 . .
1045 . 106 PHE CZ C 131.433 . .
1046 . 106 PHE N N 120.680 . .
1047 . 107 PHE H H 8.386 . .
1048 . 107 PHE HA H 3.862 . .
1049 . 107 PHE HB2 H 3.090 . .
1050 . 107 PHE HD1 H 7.225 . .
1051 . 107 PHE HE1 H 7.370 . .
1052 . 107 PHE HZ H 7.473 . .
1053 . 107 PHE CA C 61.511 . .
1054 . 107 PHE CB C 37.867 . .
1055 . 107 PHE CD1 C 131.405 . .
1056 . 107 PHE CE1 C 131.226 . .
1057 . 107 PHE CZ C 130.191 . .
1058 . 107 PHE N N 118.064 . .
1059 . 108 SER H H 7.911 . .
1060 . 108 SER HA H 4.238 . .
1061 . 108 SER HB2 H 4.026 . .
1062 . 108 SER CA C 61.511 . .
1063 . 108 SER CB C 62.591 . .
1064 . 108 SER N N 114.822 . .
1065 . 109 LYS H H 7.999 . .
1066 . 109 LYS HA H 4.061 . .
1067 . 109 LYS HB2 H 1.768 . .
1068 . 109 LYS HB3 H 1.575 . .
1069 . 109 LYS HG2 H 0.842 . .
1070 . 109 LYS HD2 H 1.413 . .
1071 . 109 LYS HE2 H 2.615 . .
1072 . 109 LYS HE3 H 2.478 . .
1073 . 109 LYS CA C 56.783 . .
1074 . 109 LYS CB C 31.396 . .
1075 . 109 LYS CG C 23.020 . .
1076 . 109 LYS CD C 27.005 . .
1077 . 109 LYS CE C 42.098 . .
1078 . 109 LYS N N 120.998 . .
1079 . 110 ILE H H 8.109 . .
1080 . 110 ILE HA H 3.852 . .
1081 . 110 ILE HB H 1.782 . .
1082 . 110 ILE HG12 H 1.167 . .
1083 . 110 ILE HG13 H 1.088 . .
1084 . 110 ILE HG2 H 0.680 . .
1085 . 110 ILE HD1 H 0.548 . .
1086 . 110 ILE CA C 64.249 . .
1087 . 110 ILE CB C 37.120 . .
1088 . 110 ILE CG1 C 26.418 . .
1089 . 110 ILE CG2 C 18.703 . .
1090 . 110 ILE CD1 C 13.227 . .
1091 . 110 ILE N N 116.984 . .
1092 . 111 LYS H H 7.567 . .
1093 . 111 LYS HA H 4.067 . .
1094 . 111 LYS HB2 H 1.916 . .
1095 . 111 LYS HB3 H 1.794 . .
1096 . 111 LYS HG2 H 1.444 . .
1097 . 111 LYS HG3 H 1.343 . .
1098 . 111 LYS HD2 H 1.665 . .
1099 . 111 LYS HE2 H 2.948 . .
1100 . 111 LYS CA C 59.520 . .
1101 . 111 LYS CB C 32.640 . .
1102 . 111 LYS CG C 25.173 . .
1103 . 111 LYS CD C 29.409 . .
1104 . 111 LYS CE C 41.351 . .
1105 . 111 LYS N N 122.387 . .
1106 . 112 GLU H H 8.069 . .
1107 . 112 GLU HA H 4.011 . .
1108 . 112 GLU HB2 H 2.095 . .
1109 . 112 GLU HG2 H 2.405 . .
1110 . 112 GLU HG3 H 2.235 . .
1111 . 112 GLU CA C 58.525 . .
1112 . 112 GLU CB C 30.077 . .
1113 . 112 GLU CG C 35.876 . .
1114 . 112 GLU N N 121.152 . .
1115 . 113 ALA H H 7.620 . .
1116 . 113 ALA HA H 4.316 . .
1117 . 113 ALA HB H 1.396 . .
1118 . 113 ALA CA C 52.302 . .
1119 . 113 ALA CB C 19.449 . .
1120 . 113 ALA N N 117.910 . .
1121 . 114 GLY H H 7.761 . .
1122 . 114 GLY HA2 H 4.325 . .
1123 . 114 GLY HA3 H 4.094 . .
1124 . 114 GLY CA C 46.021 . .
1125 . 114 GLY N N 126.093 . .
1126 . 115 LEU H H 7.740 . .
1127 . 115 LEU HA H 4.234 . .
1128 . 115 LEU HB2 H 1.620 . .
1129 . 115 LEU HB3 H 1.607 . .
1130 . 115 LEU HG H 1.553 . .
1131 . 115 LEU HD1 H 0.741 . .
1132 . 115 LEU HD2 H 0.768 . .
1133 . 115 LEU CA C 55.538 . .
1134 . 115 LEU CB C 42.845 . .
1135 . 115 LEU CG C 27.077 . .
1136 . 115 LEU CD1 C 25.485 . .
1137 . 115 LEU CD2 C 23.302 . .
1138 . 115 LEU N N 117.910 . .
1139 . 116 ILE H H 7.483 . .
1140 . 116 ILE HA H 4.262 . .
1141 . 116 ILE HB H 1.841 . .
1142 . 116 ILE HG12 H 1.332 . .
1143 . 116 ILE HG13 H 0.959 . .
1144 . 116 ILE HG2 H 0.842 . .
1145 . 116 ILE HD1 H 0.811 . .
1146 . 116 ILE CA C 60.018 . .
1147 . 116 ILE CB C 39.609 . .
1148 . 116 ILE CG1 C 26.916 . .
1149 . 116 ILE CG2 C 17.707 . .
1150 . 116 ILE CD1 C 13.193 . .
1151 . 116 ILE N N 115.440 . .
1152 . 117 ASP H H 8.321 . .
1153 . 117 ASP HA H 4.588 . .
1154 . 117 ASP HB2 H 2.728 . .
1155 . 117 ASP HB3 H 2.571 . .
1156 . 117 ASP CA C 54.543 . .
1157 . 117 ASP CB C 41.387 . .
1158 . 117 ASP N N 123.623 . .
1159 . 118 LYS H H 7.765 . .
1160 . 118 LYS HA H 4.070 . .
1161 . 118 LYS HB2 H 1.813 . .
1162 . 118 LYS HB3 H 1.690 . .
1163 . 118 LYS HG2 H 1.410 . .
1164 . 118 LYS HD2 H 1.672 . .
1165 . 118 LYS HE2 H 2.997 . .
1166 . 118 LYS CA C 57.883 . .
1167 . 118 LYS CB C 33.670 . .
1168 . 118 LYS CG C 24.639 . .
1169 . 118 LYS CD C 29.653 . .
1170 . 118 LYS CE C 40.506 . .
1171 . 118 LYS N N 125.475 . .
stop_
save_
save_chemical_shift_set_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_ref_1
_Mol_system_component_name NP1
_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 NP1 HA1 H 3.123 . .
2 . 1 NP1 HA2 H 3.123 . .
3 . 1 NP1 HB1 H 2.083 . .
4 . 1 NP1 HB2 H 2.083 . .
5 . 1 NP1 HG1 H 3.577 . .
6 . 1 NP1 HG2 H 3.577 . .
7 . 1 NP1 HE1 H 6.988 . .
stop_
save_