data_18908
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Human programmed cell death 1 receptor
;
_BMRB_accession_number 18908
_BMRB_flat_file_name bmr18908.str
_Entry_type original
_Submission_date 2012-12-18
_Accession_date 2012-12-18
_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 Veverka Vaclav . .
2 Cheng Xiaoxiao . .
3 Waters Lorna C. .
4 Muskett Frederick W. .
5 Morgan Sara . .
6 Lesley Alastair . .
7 Griffiths Merryn . .
8 Stubberfield Colin . .
9 Griffin Robert . .
10 Henry Alistair J. .
11 Robinson Martyn K. .
12 Jansson Andreas . .
13 Ladbury John E. .
14 Ikemizu Shinji . .
15 Davis Simon J. .
16 Carr Mark D. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 660
"13C chemical shifts" 453
"15N chemical shifts" 119
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-05-08 update BMRB 'update entry citation'
2013-02-21 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structure and interactions of the human programmed cell death 1 receptor.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 23417675
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Cheng Xiaoxiao . .
2 Veverka Vaclav . .
3 Radhakrishnan Anand . .
4 Waters Lorna C. .
5 Muskett Frederick W. .
6 Morgan Sara H. .
7 Huo Jiandong . .
8 Yu Chao . .
9 Evans Edward J. .
10 Leslie Alasdair J. .
11 Griffiths Meryn . .
12 Stubberfield Colin . .
13 Griffin Robert . .
14 Henry Alistair J. .
15 Jansson Andreas . .
16 Ladbury John E. .
17 Ikemizu Shinji . .
18 Carr Mark D. .
19 Davis Simon J. .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_name_full 'The Journal of biological chemistry'
_Journal_volume 288
_Journal_issue 17
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 11771
_Page_last 11785
_Year 2013
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Human programmed cell death 1 receptor'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Human programmed cell death 1 receptor' $HPCD1R
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_HPCD1R
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Human programmed cell death 1 receptor'
_Molecular_mass 13245.914
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 118
_Mol_residue_sequence
;
MPPTFSPALLVVTEGDNATF
TCSFSNTSESFVLNWYRMSP
SNQTDKLAAFPEDRSQPGQD
SRFRVTQLPNGRDFHMSVVR
ARRNDSGTYLCGAISLAPKA
QIKESLRAELRVTERRAE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 . MET 2 . PRO 3 35 PRO 4 36 THR 5 37 PHE
6 38 SER 7 39 PRO 8 40 ALA 9 41 LEU 10 42 LEU
11 43 VAL 12 44 VAL 13 45 THR 14 46 GLU 15 47 GLY
16 48 ASP 17 49 ASN 18 50 ALA 19 51 THR 20 52 PHE
21 53 THR 22 54 CYS 23 55 SER 24 56 PHE 25 57 SER
26 58 ASN 27 59 THR 28 60 SER 29 61 GLU 30 62 SER
31 63 PHE 32 64 VAL 33 65 LEU 34 66 ASN 35 67 TRP
36 68 TYR 37 69 ARG 38 70 MET 39 71 SER 40 72 PRO
41 73 SER 42 74 ASN 43 75 GLN 44 76 THR 45 77 ASP
46 78 LYS 47 79 LEU 48 80 ALA 49 81 ALA 50 82 PHE
51 83 PRO 52 84 GLU 53 85 ASP 54 86 ARG 55 87 SER
56 88 GLN 57 89 PRO 58 90 GLY 59 91 GLN 60 92 ASP
61 93 SER 62 94 ARG 63 95 PHE 64 96 ARG 65 97 VAL
66 98 THR 67 99 GLN 68 100 LEU 69 101 PRO 70 102 ASN
71 103 GLY 72 104 ARG 73 105 ASP 74 106 PHE 75 107 HIS
76 108 MET 77 109 SER 78 110 VAL 79 111 VAL 80 112 ARG
81 113 ALA 82 114 ARG 83 115 ARG 84 116 ASN 85 117 ASP
86 118 SER 87 119 GLY 88 120 THR 89 121 TYR 90 122 LEU
91 123 CYS 92 124 GLY 93 125 ALA 94 126 ILE 95 127 SER
96 128 LEU 97 129 ALA 98 130 PRO 99 131 LYS 100 132 ALA
101 133 GLN 102 134 ILE 103 135 LYS 104 136 GLU 105 137 SER
106 138 LEU 107 139 ARG 108 140 ALA 109 141 GLU 110 142 LEU
111 143 ARG 112 144 VAL 113 145 THR 114 146 GLU 115 147 ARG
116 148 ARG 117 149 ALA 118 150 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-25
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
PDB 2M2D "Human Programmed Cell Death 1 Receptor" 100.00 118 100.00 100.00 1.22e-80
PDB 3RRQ "Crystal Structure Of The Extracellular Domain Of Human Pd-1" 99.15 129 98.29 98.29 1.46e-77
PDB 4ZQK "Structure Of The Complex Of Human Programmed Death-1 (pd-1) And Its Ligand Pd-l1" 99.15 118 100.00 100.00 9.06e-80
DBJ BAG36577 "unnamed protein product [Homo sapiens]" 99.15 288 99.15 99.15 4.35e-76
DBJ BAJ21104 "programmed cell death 1 [synthetic construct]" 99.15 288 99.15 99.15 4.35e-76
GB AAC41700 "Tyr-X-X-Leu motif 691..777; extracellular domain 25..525; immunoglobulin-like domain 172..405; intracellular domain 601..891; t" 99.15 288 99.15 99.15 4.21e-76
GB AAC51773 "hPD-1 [Homo sapiens]" 99.15 288 98.29 98.29 4.83e-75
GB AAH74740 "Programmed cell death 1 [Homo sapiens]" 99.15 288 99.15 99.15 4.35e-76
GB AAN64003 "programmed cell death 1 [Homo sapiens]" 99.15 288 99.15 99.15 4.35e-76
GB AAO25116 "programmed cell death 1 [Homo sapiens]" 74.58 122 98.86 98.86 1.37e-55
REF NP_005009 "programmed cell death protein 1 precursor [Homo sapiens]" 99.15 288 99.15 99.15 4.35e-76
REF XP_003776178 "PREDICTED: LOW QUALITY PROTEIN: programmed cell death protein 1 [Pongo abelii]" 99.15 290 97.44 98.29 7.26e-75
REF XP_004033550 "PREDICTED: programmed cell death protein 1 [Gorilla gorilla gorilla]" 99.15 288 99.15 99.15 5.01e-76
REF XP_006712636 "PREDICTED: programmed cell death protein 1 isoform X1 [Homo sapiens]" 99.15 198 99.15 99.15 1.75e-77
REF XP_006725049 "PREDICTED: programmed cell death protein 1 isoform X1 [Homo sapiens]" 99.15 198 99.15 99.15 1.75e-77
SP Q15116 "RecName: Full=Programmed cell death protein 1; Short=Protein PD-1; Short=hPD-1; AltName: CD_antigen=CD279; Flags: Precursor" 99.15 288 99.15 99.15 4.35e-76
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$HPCD1R Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$HPCD1R 'recombinant technology' . Escherichia coli . pET
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_N
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HPCD1R 0.5 mM [U-15N]
'potassium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_CN
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HPCD1R 0.5 mM '[U-13C; U-15N]'
'potassium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
H2O 95 % 'natural abundance'
D2O 5 % 'natural abundance'
stop_
save_
save_sample_AR
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HPCD1R 0.5 mM 'natural abundance'
'potassium phosphate' 25 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
D2O 100 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_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_N
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_CN
save_
save_2D_1H-1H_TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_AR
save_
save_2D_1H-1H_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_AR
save_
save_3D_HNCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_CN
save_
save_3D_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_CN
save_
save_3D_HNCO_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_CN
save_
save_3D_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_CN
save_
save_3D_1H-15N_TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_Sample_label $sample_N
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_CN
save_
save_3D_1H-15N_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_N
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' 0.125 . M
pH 6.4 . pH
pressure 1 . atm
temperature 273 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_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 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-1H TOCSY'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HNCO'
'3D HCCH-TOCSY'
'3D 1H-15N TOCSY'
stop_
loop_
_Sample_label
$sample_N
$sample_AR
$sample_CN
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Human programmed cell death 1 receptor'
_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 35 3 PRO HA H 5.153 0.010 1
2 35 3 PRO HB2 H 1.979 0.010 2
3 35 3 PRO HB3 H 1.791 0.010 2
4 35 3 PRO HG2 H 1.342 0.010 2
5 35 3 PRO HG3 H 1.342 0.010 2
6 35 3 PRO HD2 H 3.215 0.010 2
7 35 3 PRO HD3 H 3.215 0.010 2
8 35 3 PRO C C 176.285 0.100 1
9 35 3 PRO CA C 62.731 0.100 1
10 35 3 PRO CB C 32.575 0.100 1
11 35 3 PRO CG C 27.224 0.100 1
12 35 3 PRO CD C 50.588 0.100 1
13 36 4 THR H H 8.685 0.010 1
14 36 4 THR HA H 4.640 0.010 1
15 36 4 THR HB H 4.213 0.010 1
16 36 4 THR HG2 H 1.207 0.010 1
17 36 4 THR C C 173.243 0.100 1
18 36 4 THR CA C 60.680 0.100 1
19 36 4 THR CB C 70.902 0.100 1
20 36 4 THR CG2 C 21.630 0.100 1
21 36 4 THR N N 112.337 0.050 1
22 37 5 PHE H H 8.879 0.010 1
23 37 5 PHE HA H 5.793 0.010 1
24 37 5 PHE HB2 H 2.941 0.010 2
25 37 5 PHE HB3 H 3.069 0.010 2
26 37 5 PHE HD1 H 7.085 0.010 3
27 37 5 PHE HD2 H 7.085 0.010 3
28 37 5 PHE C C 173.763 0.100 1
29 37 5 PHE CA C 56.222 0.100 1
30 37 5 PHE CB C 43.772 0.100 1
31 37 5 PHE N N 126.849 0.050 1
32 38 6 SER H H 8.583 0.010 1
33 38 6 SER HA H 4.613 0.010 1
34 38 6 SER HB2 H 3.662 0.010 2
35 38 6 SER HB3 H 3.662 0.010 2
36 38 6 SER CA C 55.443 0.100 1
37 38 6 SER CB C 65.289 0.100 1
38 38 6 SER N N 121.488 0.050 1
39 39 7 PRO HA H 4.676 0.010 1
40 39 7 PRO HB2 H 2.067 0.010 2
41 39 7 PRO HB3 H 2.353 0.010 2
42 39 7 PRO HG2 H 1.535 0.010 2
43 39 7 PRO HG3 H 1.829 0.010 2
44 39 7 PRO HD2 H 3.421 0.010 2
45 39 7 PRO HD3 H 3.421 0.010 2
46 39 7 PRO C C 173.662 0.100 1
47 39 7 PRO CA C 62.083 0.100 1
48 39 7 PRO CB C 34.632 0.100 1
49 39 7 PRO CG C 25.233 0.100 1
50 39 7 PRO CD C 49.709 0.100 1
51 40 8 ALA H H 8.161 0.010 1
52 40 8 ALA HA H 4.257 0.010 1
53 40 8 ALA HB H 1.495 0.010 1
54 40 8 ALA C C 178.348 0.100 1
55 40 8 ALA CA C 54.555 0.100 1
56 40 8 ALA CB C 18.748 0.100 1
57 40 8 ALA N N 118.258 0.050 1
58 41 9 LEU H H 7.521 0.010 1
59 41 9 LEU HA H 5.171 0.010 1
60 41 9 LEU HB2 H 1.633 0.010 2
61 41 9 LEU HB3 H 1.381 0.010 2
62 41 9 LEU HG H 1.235 0.010 1
63 41 9 LEU HD1 H 0.758 0.010 2
64 41 9 LEU HD2 H 0.702 0.010 2
65 41 9 LEU C C 173.734 0.100 1
66 41 9 LEU CA C 54.285 0.100 1
67 41 9 LEU CB C 43.528 0.100 1
68 41 9 LEU CG C 27.912 0.100 1
69 41 9 LEU CD1 C 25.428 0.100 2
70 41 9 LEU CD2 C 22.551 0.100 2
71 41 9 LEU N N 118.837 0.050 1
72 42 10 LEU H H 9.145 0.010 1
73 42 10 LEU HA H 4.465 0.010 1
74 42 10 LEU HB2 H 0.719 0.010 2
75 42 10 LEU HB3 H 1.486 0.010 2
76 42 10 LEU HG H 0.907 0.010 1
77 42 10 LEU HD1 H 0.388 0.010 2
78 42 10 LEU HD2 H -0.209 0.010 2
79 42 10 LEU C C 173.110 0.100 1
80 42 10 LEU CA C 53.404 0.100 1
81 42 10 LEU CB C 44.888 0.100 1
82 42 10 LEU CG C 26.767 0.100 1
83 42 10 LEU CD1 C 22.580 0.100 2
84 42 10 LEU CD2 C 24.633 0.100 2
85 42 10 LEU N N 131.173 0.050 1
86 43 11 VAL H H 8.348 0.010 1
87 43 11 VAL HA H 5.107 0.010 1
88 43 11 VAL HB H 1.842 0.010 1
89 43 11 VAL HG1 H 0.786 0.010 2
90 43 11 VAL HG2 H 0.786 0.010 2
91 43 11 VAL C C 176.113 0.100 1
92 43 11 VAL CA C 60.844 0.100 1
93 43 11 VAL CB C 32.772 0.100 1
94 43 11 VAL CG1 C 21.175 0.100 2
95 43 11 VAL CG2 C 20.785 0.100 2
96 43 11 VAL N N 127.503 0.050 1
97 44 12 VAL H H 8.612 0.010 1
98 44 12 VAL HA H 4.604 0.010 1
99 44 12 VAL HB H 2.073 0.010 1
100 44 12 VAL HG1 H 0.680 0.010 2
101 44 12 VAL HG2 H 0.545 0.010 2
102 44 12 VAL C C 173.529 0.100 1
103 44 12 VAL CA C 58.459 0.100 1
104 44 12 VAL CB C 35.776 0.100 1
105 44 12 VAL CG1 C 20.974 0.100 2
106 44 12 VAL CG2 C 20.057 0.100 2
107 44 12 VAL N N 122.012 0.050 1
108 45 13 THR H H 8.553 0.010 1
109 45 13 THR HA H 4.396 0.010 1
110 45 13 THR HB H 3.742 0.010 1
111 45 13 THR HG2 H 1.155 0.010 1
112 45 13 THR C C 173.605 0.100 1
113 45 13 THR CA C 61.812 0.100 1
114 45 13 THR CB C 69.401 0.100 1
115 45 13 THR CG2 C 22.046 0.100 1
116 45 13 THR N N 119.957 0.050 1
117 46 14 GLU H H 8.500 0.010 1
118 46 14 GLU HA H 3.529 0.010 1
119 46 14 GLU HB2 H 1.901 0.010 2
120 46 14 GLU HB3 H 1.807 0.010 2
121 46 14 GLU HG2 H 2.309 0.010 2
122 46 14 GLU HG3 H 2.309 0.010 2
123 46 14 GLU C C 175.779 0.100 1
124 46 14 GLU CA C 57.991 0.100 1
125 46 14 GLU CB C 29.457 0.100 1
126 46 14 GLU CG C 35.987 0.100 1
127 46 14 GLU N N 124.799 0.050 1
128 47 15 GLY H H 9.371 0.010 1
129 47 15 GLY HA2 H 4.388 0.010 2
130 47 15 GLY HA3 H 3.178 0.010 2
131 47 15 GLY C C 174.500 0.100 1
132 47 15 GLY CA C 44.716 0.100 1
133 47 15 GLY N N 114.482 0.050 1
134 48 16 ASP H H 8.152 0.010 1
135 48 16 ASP HA H 4.652 0.010 1
136 48 16 ASP HB2 H 2.671 0.010 2
137 48 16 ASP HB3 H 2.882 0.010 2
138 48 16 ASP C C 174.673 0.100 1
139 48 16 ASP CA C 53.669 0.100 1
140 48 16 ASP CB C 41.246 0.100 1
141 48 16 ASP N N 122.577 0.050 1
142 49 17 ASN H H 8.401 0.010 1
143 49 17 ASN HA H 5.250 0.010 1
144 49 17 ASN HB2 H 2.448 0.010 2
145 49 17 ASN HB3 H 2.624 0.010 2
146 49 17 ASN HD21 H 6.782 0.010 2
147 49 17 ASN HD22 H 7.474 0.010 2
148 49 17 ASN C C 174.682 0.100 1
149 49 17 ASN CA C 51.796 0.100 1
150 49 17 ASN CB C 38.151 0.100 1
151 49 17 ASN N N 117.103 0.050 1
152 49 17 ASN ND2 N 111.856 0.050 1
153 50 18 ALA H H 8.643 0.010 1
154 50 18 ALA HA H 4.493 0.010 1
155 50 18 ALA HB H 0.995 0.010 1
156 50 18 ALA C C 175.341 0.100 1
157 50 18 ALA CA C 50.173 0.100 1
158 50 18 ALA CB C 22.437 0.100 1
159 50 18 ALA N N 125.142 0.050 1
160 51 19 THR H H 7.977 0.010 1
161 51 19 THR HA H 4.619 0.010 1
162 51 19 THR HB H 3.320 0.010 1
163 51 19 THR HG2 H 0.269 0.010 1
164 51 19 THR C C 173.170 0.100 1
165 51 19 THR CA C 62.088 0.100 1
166 51 19 THR CB C 70.638 0.100 1
167 51 19 THR CG2 C 21.096 0.100 1
168 51 19 THR N N 119.357 0.050 1
169 52 20 PHE H H 8.865 0.010 1
170 52 20 PHE HA H 4.662 0.010 1
171 52 20 PHE HB2 H 2.021 0.010 2
172 52 20 PHE HB3 H 2.141 0.010 2
173 52 20 PHE HD1 H 6.681 0.010 3
174 52 20 PHE HD2 H 6.681 0.010 3
175 52 20 PHE HE1 H 6.797 0.010 3
176 52 20 PHE HE2 H 6.797 0.010 3
177 52 20 PHE C C 175.658 0.100 1
178 52 20 PHE CA C 56.611 0.100 1
179 52 20 PHE CB C 43.698 0.100 1
180 52 20 PHE N N 127.865 0.050 1
181 53 21 THR H H 9.356 0.010 1
182 53 21 THR HA H 5.241 0.010 1
183 53 21 THR HB H 3.748 0.010 1
184 53 21 THR HG2 H 0.947 0.010 1
185 53 21 THR C C 173.910 0.100 1
186 53 21 THR CA C 61.875 0.100 1
187 53 21 THR CB C 70.431 0.100 1
188 53 21 THR CG2 C 20.501 0.100 1
189 53 21 THR N N 116.068 0.050 1
190 54 22 CYS H H 9.499 0.010 1
191 54 22 CYS HA H 6.099 0.010 1
192 54 22 CYS HB2 H 3.179 0.010 2
193 54 22 CYS HB3 H 3.292 0.010 2
194 54 22 CYS C C 173.631 0.100 1
195 54 22 CYS CA C 54.046 0.100 1
196 54 22 CYS CB C 43.125 0.100 1
197 54 22 CYS N N 130.124 0.050 1
198 55 23 SER H H 9.258 0.010 1
199 55 23 SER HA H 5.866 0.010 1
200 55 23 SER HB2 H 3.774 0.010 2
201 55 23 SER HB3 H 3.574 0.010 2
202 55 23 SER C C 173.820 0.100 1
203 55 23 SER CA C 57.284 0.100 1
204 55 23 SER CB C 64.360 0.100 1
205 55 23 SER N N 124.675 0.050 1
206 56 24 PHE H H 9.290 0.010 1
207 56 24 PHE HA H 4.721 0.010 1
208 56 24 PHE HB2 H 2.508 0.010 2
209 56 24 PHE HB3 H 2.826 0.010 2
210 56 24 PHE HD1 H 6.411 0.010 3
211 56 24 PHE HD2 H 6.411 0.010 3
212 56 24 PHE HE1 H 6.692 0.010 3
213 56 24 PHE HE2 H 6.692 0.010 3
214 56 24 PHE HZ H 6.786 0.010 1
215 56 24 PHE C C 172.881 0.100 1
216 56 24 PHE CA C 57.374 0.100 1
217 56 24 PHE CB C 42.511 0.100 1
218 56 24 PHE N N 126.321 0.050 1
219 57 25 SER H H 7.552 0.010 1
220 57 25 SER HA H 4.212 0.010 1
221 57 25 SER HB2 H 3.532 0.010 2
222 57 25 SER HB3 H 3.532 0.010 2
223 57 25 SER C C 172.663 0.100 1
224 57 25 SER CA C 57.388 0.100 1
225 57 25 SER CB C 64.100 0.100 1
226 57 25 SER N N 119.375 0.050 1
227 58 26 ASN H H 7.897 0.010 1
228 58 26 ASN HA H 4.452 0.010 1
229 58 26 ASN HB2 H 2.207 0.010 2
230 58 26 ASN HB3 H 2.652 0.010 2
231 58 26 ASN HD21 H 7.104 0.010 2
232 58 26 ASN HD22 H 7.245 0.010 2
233 58 26 ASN C C 174.581 0.100 1
234 58 26 ASN CA C 53.088 0.100 1
235 58 26 ASN CB C 39.564 0.100 1
236 58 26 ASN N N 120.784 0.050 1
237 58 26 ASN ND2 N 112.721 0.050 1
238 59 27 THR H H 8.285 0.010 1
239 59 27 THR HA H 4.320 0.010 1
240 59 27 THR HB H 4.349 0.010 1
241 59 27 THR HG2 H 1.086 0.010 1
242 59 27 THR C C 175.154 0.100 1
243 59 27 THR CA C 61.935 0.100 1
244 59 27 THR CB C 69.102 0.100 1
245 59 27 THR CG2 C 21.473 0.100 1
246 59 27 THR N N 113.715 0.050 1
247 60 28 SER H H 8.273 0.010 1
248 60 28 SER HA H 4.425 0.010 1
249 60 28 SER HB2 H 3.918 0.010 2
250 60 28 SER HB3 H 3.918 0.010 2
251 60 28 SER C C 173.945 0.100 1
252 60 28 SER CA C 59.381 0.100 1
253 60 28 SER CB C 63.976 0.100 1
254 60 28 SER N N 116.574 0.050 1
255 61 29 GLU H H 7.850 0.010 1
256 61 29 GLU HA H 4.500 0.010 1
257 61 29 GLU HB2 H 1.930 0.010 2
258 61 29 GLU HB3 H 2.114 0.010 2
259 61 29 GLU HG2 H 2.187 0.010 2
260 61 29 GLU HG3 H 2.187 0.010 2
261 61 29 GLU C C 175.642 0.100 1
262 61 29 GLU CA C 55.627 0.100 1
263 61 29 GLU CB C 31.513 0.100 1
264 61 29 GLU CG C 35.978 0.100 1
265 61 29 GLU N N 120.046 0.050 1
266 62 30 SER H H 8.401 0.010 1
267 62 30 SER HA H 4.506 0.010 1
268 62 30 SER HB2 H 3.732 0.010 2
269 62 30 SER HB3 H 3.814 0.010 2
270 62 30 SER C C 173.310 0.100 1
271 62 30 SER CA C 58.687 0.100 1
272 62 30 SER CB C 63.840 0.100 1
273 62 30 SER N N 116.510 0.050 1
274 63 31 PHE H H 7.941 0.010 1
275 63 31 PHE HA H 5.246 0.010 1
276 63 31 PHE HB2 H 3.001 0.010 2
277 63 31 PHE HB3 H 2.740 0.010 2
278 63 31 PHE HD1 H 7.035 0.010 3
279 63 31 PHE HD2 H 7.035 0.010 3
280 63 31 PHE HE1 H 7.277 0.010 3
281 63 31 PHE HE2 H 7.277 0.010 3
282 63 31 PHE HZ H 7.537 0.010 1
283 63 31 PHE C C 173.790 0.100 1
284 63 31 PHE CA C 56.206 0.100 1
285 63 31 PHE CB C 41.882 0.100 1
286 63 31 PHE N N 118.701 0.050 1
287 64 32 VAL H H 8.802 0.010 1
288 64 32 VAL HA H 4.467 0.010 1
289 64 32 VAL HB H 1.831 0.010 1
290 64 32 VAL HG1 H 0.791 0.010 2
291 64 32 VAL HG2 H 0.791 0.010 2
292 64 32 VAL C C 173.835 0.100 1
293 64 32 VAL CA C 60.903 0.100 1
294 64 32 VAL CB C 34.465 0.100 1
295 64 32 VAL CG1 C 21.336 0.100 2
296 64 32 VAL N N 120.778 0.050 1
297 65 33 LEU H H 8.942 0.010 1
298 65 33 LEU HA H 4.997 0.010 1
299 65 33 LEU HB2 H 1.024 0.010 2
300 65 33 LEU HB3 H 1.483 0.010 2
301 65 33 LEU HG H 0.936 0.010 1
302 65 33 LEU HD1 H -0.092 0.010 2
303 65 33 LEU HD2 H 0.251 0.010 2
304 65 33 LEU C C 174.515 0.100 1
305 65 33 LEU CA C 52.535 0.100 1
306 65 33 LEU CB C 45.679 0.100 1
307 65 33 LEU CG C 26.817 0.100 1
308 65 33 LEU CD1 C 24.977 0.100 2
309 65 33 LEU CD2 C 23.560 0.100 2
310 65 33 LEU N N 127.911 0.050 1
311 66 34 ASN H H 9.015 0.010 1
312 66 34 ASN HA H 5.257 0.010 1
313 66 34 ASN HB2 H 1.485 0.010 2
314 66 34 ASN HB3 H 2.260 0.010 2
315 66 34 ASN HD21 H 6.465 0.010 2
316 66 34 ASN HD22 H 6.441 0.010 2
317 66 34 ASN C C 173.111 0.100 1
318 66 34 ASN CA C 51.420 0.100 1
319 66 34 ASN CB C 43.117 0.100 1
320 66 34 ASN N N 120.920 0.050 1
321 66 34 ASN ND2 N 107.770 0.050 1
322 67 35 TRP H H 8.366 0.010 1
323 67 35 TRP HA H 5.088 0.010 1
324 67 35 TRP HB2 H 2.776 0.010 2
325 67 35 TRP HB3 H 3.155 0.010 2
326 67 35 TRP HD1 H 7.006 0.010 1
327 67 35 TRP HE1 H 7.603 0.010 1
328 67 35 TRP C C 174.039 0.100 1
329 67 35 TRP CA C 52.694 0.100 1
330 67 35 TRP CB C 32.688 0.100 1
331 67 35 TRP N N 123.087 0.050 1
332 67 35 TRP NE1 N 122.001 0.050 1
333 68 36 TYR H H 8.990 0.010 1
334 68 36 TYR HA H 5.399 0.010 1
335 68 36 TYR HB2 H 2.267 0.010 2
336 68 36 TYR HB3 H 2.538 0.010 2
337 68 36 TYR HD1 H 6.456 0.010 3
338 68 36 TYR HD2 H 6.456 0.010 3
339 68 36 TYR HE1 H 6.410 0.010 3
340 68 36 TYR HE2 H 6.410 0.010 3
341 68 36 TYR C C 174.156 0.100 1
342 68 36 TYR CA C 55.966 0.100 1
343 68 36 TYR CB C 42.122 0.100 1
344 68 36 TYR N N 124.393 0.050 1
345 69 37 ARG H H 8.534 0.010 1
346 69 37 ARG HA H 4.514 0.010 1
347 69 37 ARG HB2 H 1.282 0.010 2
348 69 37 ARG HB3 H 1.123 0.010 2
349 69 37 ARG HG2 H 0.753 0.010 2
350 69 37 ARG HG3 H 1.125 0.010 2
351 69 37 ARG HD2 H 2.738 0.010 2
352 69 37 ARG HD3 H 2.826 0.010 2
353 69 37 ARG C C 175.267 0.100 1
354 69 37 ARG CA C 53.836 0.100 1
355 69 37 ARG CB C 33.828 0.100 1
356 69 37 ARG CG C 26.306 0.100 1
357 69 37 ARG CD C 43.630 0.100 1
358 69 37 ARG N N 119.107 0.050 1
359 70 38 MET H H 8.216 0.010 1
360 70 38 MET HA H 4.848 0.010 1
361 70 38 MET HB2 H 1.550 0.010 2
362 70 38 MET HB3 H 1.784 0.010 2
363 70 38 MET HG2 H 2.036 0.010 2
364 70 38 MET HG3 H 2.308 0.010 2
365 70 38 MET HE H 1.628 0.010 1
366 70 38 MET C C 176.084 0.100 1
367 70 38 MET CA C 53.327 0.100 1
368 70 38 MET CB C 31.733 0.100 1
369 70 38 MET CG C 31.112 0.100 1
370 70 38 MET CE C 15.676 0.100 1
371 70 38 MET N N 123.459 0.050 1
372 71 39 SER H H 9.066 0.010 1
373 71 39 SER HA H 4.788 0.010 1
374 71 39 SER HB2 H 4.208 0.010 2
375 71 39 SER HB3 H 3.793 0.010 2
376 71 39 SER CA C 56.562 0.100 1
377 71 39 SER CB C 63.617 0.100 1
378 71 39 SER N N 124.529 0.050 1
379 72 40 PRO HA H 4.383 0.010 1
380 72 40 PRO HB2 H 2.367 0.010 2
381 72 40 PRO HB3 H 1.848 0.010 2
382 72 40 PRO HG2 H 2.047 0.010 2
383 72 40 PRO HG3 H 1.941 0.010 2
384 72 40 PRO HD2 H 3.875 0.010 2
385 72 40 PRO HD3 H 3.744 0.010 2
386 72 40 PRO C C 176.675 0.100 1
387 72 40 PRO CA C 64.726 0.100 1
388 72 40 PRO CB C 31.593 0.100 1
389 72 40 PRO CG C 27.858 0.100 1
390 72 40 PRO CD C 50.950 0.100 1
391 73 41 SER H H 7.714 0.010 1
392 73 41 SER HA H 4.372 0.010 1
393 73 41 SER HB2 H 3.905 0.010 2
394 73 41 SER HB3 H 3.694 0.010 2
395 73 41 SER C C 174.041 0.100 1
396 73 41 SER CA C 57.412 0.100 1
397 73 41 SER CB C 62.514 0.100 1
398 73 41 SER N N 110.394 0.050 1
399 74 42 ASN H H 8.317 0.010 1
400 74 42 ASN HA H 4.143 0.010 1
401 74 42 ASN HB2 H 2.940 0.010 2
402 74 42 ASN HB3 H 2.775 0.010 2
403 74 42 ASN HD21 H 6.702 0.010 2
404 74 42 ASN HD22 H 7.381 0.010 2
405 74 42 ASN C C 174.066 0.100 1
406 74 42 ASN CA C 54.779 0.100 1
407 74 42 ASN CB C 36.768 0.100 1
408 74 42 ASN N N 116.561 0.050 1
409 74 42 ASN ND2 N 112.553 0.050 1
410 75 43 GLN H H 7.349 0.010 1
411 75 43 GLN HA H 4.406 0.010 1
412 75 43 GLN HB2 H 1.926 0.010 2
413 75 43 GLN HB3 H 1.694 0.010 2
414 75 43 GLN HG2 H 2.115 0.010 2
415 75 43 GLN HG3 H 2.115 0.010 2
416 75 43 GLN HE21 H 6.732 0.010 2
417 75 43 GLN HE22 H 7.492 0.010 2
418 75 43 GLN C C 175.297 0.100 1
419 75 43 GLN CA C 54.339 0.100 1
420 75 43 GLN CB C 30.145 0.100 1
421 75 43 GLN CG C 33.609 0.100 1
422 75 43 GLN N N 116.569 0.050 1
423 75 43 GLN NE2 N 113.511 0.050 1
424 76 44 THR H H 8.316 0.010 1
425 76 44 THR HA H 4.448 0.010 1
426 76 44 THR HB H 3.534 0.010 1
427 76 44 THR HG2 H 0.604 0.010 1
428 76 44 THR C C 174.124 0.100 1
429 76 44 THR CA C 60.446 0.100 1
430 76 44 THR CB C 69.576 0.100 1
431 76 44 THR CG2 C 21.833 0.100 1
432 76 44 THR N N 114.788 0.050 1
433 77 45 ASP H H 8.680 0.010 1
434 77 45 ASP HA H 4.825 0.010 1
435 77 45 ASP HB2 H 2.406 0.010 2
436 77 45 ASP HB3 H 2.312 0.010 2
437 77 45 ASP C C 174.936 0.100 1
438 77 45 ASP CA C 53.153 0.100 1
439 77 45 ASP CB C 42.681 0.100 1
440 77 45 ASP N N 124.926 0.050 1
441 78 46 LYS H H 8.749 0.010 1
442 78 46 LYS HA H 3.982 0.010 1
443 78 46 LYS HB2 H 1.563 0.010 2
444 78 46 LYS HB3 H 1.724 0.010 2
445 78 46 LYS HG2 H 0.851 0.010 2
446 78 46 LYS HG3 H 0.851 0.010 2
447 78 46 LYS HD2 H 1.366 0.010 2
448 78 46 LYS HD3 H 1.458 0.010 2
449 78 46 LYS HE2 H 2.678 0.010 2
450 78 46 LYS HE3 H 2.678 0.010 2
451 78 46 LYS C C 175.769 0.100 1
452 78 46 LYS CA C 57.029 0.100 1
453 78 46 LYS CB C 32.287 0.100 1
454 78 46 LYS CG C 24.931 0.100 1
455 78 46 LYS CD C 29.026 0.100 1
456 78 46 LYS CE C 40.965 0.100 1
457 78 46 LYS N N 125.793 0.050 1
458 79 47 LEU H H 8.980 0.010 1
459 79 47 LEU HA H 3.870 0.010 1
460 79 47 LEU HB2 H 0.605 0.010 2
461 79 47 LEU HB3 H 0.272 0.010 2
462 79 47 LEU HG H 0.945 0.010 1
463 79 47 LEU HD1 H -0.560 0.010 2
464 79 47 LEU HD2 H -0.248 0.010 2
465 79 47 LEU C C 176.715 0.100 1
466 79 47 LEU CA C 55.182 0.100 1
467 79 47 LEU CB C 43.050 0.100 1
468 79 47 LEU CG C 25.636 0.100 1
469 79 47 LEU CD1 C 24.603 0.100 2
470 79 47 LEU CD2 C 20.801 0.100 2
471 79 47 LEU N N 128.453 0.050 1
472 80 48 ALA H H 7.393 0.010 1
473 80 48 ALA HA H 4.529 0.010 1
474 80 48 ALA HB H 1.606 0.010 1
475 80 48 ALA C C 173.898 0.100 1
476 80 48 ALA CA C 51.514 0.100 1
477 80 48 ALA CB C 22.836 0.100 1
478 80 48 ALA N N 115.834 0.050 1
479 81 49 ALA H H 8.346 0.010 1
480 81 49 ALA HA H 5.339 0.010 1
481 81 49 ALA HB H 1.231 0.010 1
482 81 49 ALA C C 175.286 0.100 1
483 81 49 ALA CA C 51.097 0.100 1
484 81 49 ALA CB C 24.705 0.100 1
485 81 49 ALA N N 121.533 0.050 1
486 82 50 PHE H H 8.894 0.010 1
487 82 50 PHE HA H 4.499 0.010 1
488 82 50 PHE HB2 H 2.720 0.010 2
489 82 50 PHE HB3 H 2.772 0.010 2
490 82 50 PHE HD1 H 7.200 0.010 3
491 82 50 PHE HD2 H 7.200 0.010 3
492 82 50 PHE HE1 H 7.444 0.010 3
493 82 50 PHE HE2 H 7.444 0.010 3
494 82 50 PHE HZ H 7.359 0.010 1
495 82 50 PHE CA C 55.362 0.100 1
496 82 50 PHE CB C 43.659 0.100 1
497 82 50 PHE N N 119.394 0.050 1
498 83 51 PRO HA H 3.247 0.010 1
499 83 51 PRO HB2 H 1.745 0.010 2
500 83 51 PRO HB3 H 1.623 0.010 2
501 83 51 PRO HG2 H 1.414 0.010 2
502 83 51 PRO HG3 H 1.590 0.010 2
503 83 51 PRO HD2 H 3.354 0.010 2
504 83 51 PRO HD3 H 3.369 0.010 2
505 83 51 PRO C C 175.430 0.100 1
506 83 51 PRO CA C 62.392 0.100 1
507 83 51 PRO CB C 34.010 0.100 1
508 83 51 PRO CG C 25.133 0.100 1
509 83 51 PRO CD C 49.968 0.100 1
510 84 52 GLU H H 8.303 0.010 1
511 84 52 GLU HA H 4.134 0.010 1
512 84 52 GLU HB2 H 2.040 0.010 2
513 84 52 GLU HB3 H 1.955 0.010 2
514 84 52 GLU HG2 H 2.328 0.010 2
515 84 52 GLU HG3 H 2.328 0.010 2
516 84 52 GLU C C 176.329 0.100 1
517 84 52 GLU CA C 56.895 0.100 1
518 84 52 GLU CB C 30.785 0.100 1
519 84 52 GLU CG C 36.652 0.100 1
520 84 52 GLU N N 120.700 0.050 1
521 85 53 ASP H H 8.532 0.010 1
522 85 53 ASP HA H 4.580 0.010 1
523 85 53 ASP HB2 H 2.543 0.010 2
524 85 53 ASP HB3 H 2.683 0.010 2
525 85 53 ASP C C 176.840 0.100 1
526 85 53 ASP CA C 53.560 0.100 1
527 85 53 ASP CB C 41.135 0.100 1
528 85 53 ASP N N 123.739 0.050 1
529 86 54 ARG H H 8.572 0.010 1
530 86 54 ARG HA H 4.258 0.010 1
531 86 54 ARG HB2 H 1.898 0.010 2
532 86 54 ARG HB3 H 1.697 0.010 2
533 86 54 ARG HG2 H 1.599 0.010 2
534 86 54 ARG HG3 H 1.599 0.010 2
535 86 54 ARG HD2 H 3.139 0.010 2
536 86 54 ARG HD3 H 3.139 0.010 2
537 86 54 ARG C C 176.590 0.100 1
538 86 54 ARG CA C 56.385 0.100 1
539 86 54 ARG CB C 29.732 0.100 1
540 86 54 ARG CG C 27.047 0.100 1
541 86 54 ARG CD C 42.980 0.100 1
542 86 54 ARG N N 123.278 0.050 1
543 87 55 SER H H 8.404 0.010 1
544 87 55 SER HA H 4.295 0.010 1
545 87 55 SER HB2 H 3.851 0.010 2
546 87 55 SER HB3 H 3.809 0.010 2
547 87 55 SER C C 174.313 0.100 1
548 87 55 SER CA C 59.147 0.100 1
549 87 55 SER CB C 63.739 0.100 1
550 87 55 SER N N 116.147 0.050 1
551 88 56 GLN H H 7.826 0.010 1
552 88 56 GLN HA H 4.596 0.010 1
553 88 56 GLN HB2 H 2.016 0.010 2
554 88 56 GLN HB3 H 1.839 0.010 2
555 88 56 GLN HG2 H 2.258 0.010 2
556 88 56 GLN HG3 H 2.258 0.010 2
557 88 56 GLN HE21 H 6.740 0.010 2
558 88 56 GLN HE22 H 7.478 0.010 2
559 88 56 GLN CA C 53.359 0.100 1
560 88 56 GLN CB C 28.920 0.100 1
561 88 56 GLN CG C 33.183 0.100 1
562 88 56 GLN N N 121.964 0.050 1
563 88 56 GLN NE2 N 112.466 0.050 1
564 89 57 PRO HA H 4.384 0.010 1
565 89 57 PRO HB2 H 2.960 0.010 2
566 89 57 PRO HB3 H 2.740 0.010 2
567 89 57 PRO HG2 H 1.938 0.010 2
568 89 57 PRO HG3 H 1.974 0.010 2
569 89 57 PRO HD2 H 3.603 0.010 2
570 89 57 PRO HD3 H 3.685 0.010 2
571 89 57 PRO C C 177.770 0.100 1
572 89 57 PRO CA C 63.471 0.100 1
573 89 57 PRO CB C 31.959 0.100 1
574 89 57 PRO CG C 27.342 0.100 1
575 89 57 PRO CD C 50.525 0.100 1
576 90 58 GLY H H 8.568 0.010 1
577 90 58 GLY HA2 H 3.899 0.010 2
578 90 58 GLY HA3 H 3.899 0.010 2
579 90 58 GLY C C 174.552 0.100 1
580 90 58 GLY CA C 45.581 0.100 1
581 90 58 GLY N N 109.538 0.050 1
582 91 59 GLN H H 8.051 0.010 1
583 91 59 GLN HA H 4.242 0.010 1
584 91 59 GLN HB2 H 2.084 0.010 2
585 91 59 GLN HB3 H 1.993 0.010 2
586 91 59 GLN HG2 H 2.304 0.010 2
587 91 59 GLN HG3 H 2.304 0.010 2
588 91 59 GLN HE21 H 6.804 0.010 2
589 91 59 GLN HE22 H 7.453 0.010 2
590 91 59 GLN C C 175.620 0.100 1
591 91 59 GLN CA C 56.073 0.100 1
592 91 59 GLN CB C 29.498 0.100 1
593 91 59 GLN CG C 33.776 0.100 1
594 91 59 GLN N N 120.168 0.050 1
595 91 59 GLN NE2 N 112.898 0.050 1
596 92 60 ASP H H 8.569 0.010 1
597 92 60 ASP HA H 4.636 0.010 1
598 92 60 ASP HB2 H 2.541 0.010 2
599 92 60 ASP HB3 H 2.849 0.010 2
600 92 60 ASP C C 176.545 0.100 1
601 92 60 ASP CA C 54.062 0.100 1
602 92 60 ASP CB C 41.626 0.100 1
603 92 60 ASP N N 122.926 0.050 1
604 93 61 SER H H 8.350 0.010 1
605 93 61 SER HA H 4.426 0.010 1
606 93 61 SER HB2 H 3.881 0.010 2
607 93 61 SER HB3 H 4.018 0.010 2
608 93 61 SER C C 175.272 0.100 1
609 93 61 SER CA C 58.713 0.100 1
610 93 61 SER CB C 63.734 0.100 1
611 93 61 SER N N 118.819 0.050 1
612 94 62 ARG H H 8.493 0.010 1
613 94 62 ARG HA H 4.023 0.010 1
614 94 62 ARG HB2 H 1.620 0.010 2
615 94 62 ARG HB3 H 1.303 0.010 2
616 94 62 ARG HG2 H 1.343 0.010 2
617 94 62 ARG HG3 H 1.129 0.010 2
618 94 62 ARG HD2 H 3.154 0.010 2
619 94 62 ARG HD3 H 3.070 0.010 2
620 94 62 ARG C C 173.740 0.100 1
621 94 62 ARG CA C 57.198 0.100 1
622 94 62 ARG CB C 29.721 0.100 1
623 94 62 ARG CG C 28.445 0.100 1
624 94 62 ARG CD C 42.591 0.100 1
625 94 62 ARG N N 122.781 0.050 1
626 95 63 PHE H H 7.653 0.010 1
627 95 63 PHE HA H 5.334 0.010 1
628 95 63 PHE HB2 H 2.766 0.010 2
629 95 63 PHE HB3 H 2.667 0.010 2
630 95 63 PHE HD1 H 6.735 0.010 3
631 95 63 PHE HD2 H 6.735 0.010 3
632 95 63 PHE C C 174.984 0.100 1
633 95 63 PHE CA C 56.603 0.100 1
634 95 63 PHE CB C 39.401 0.100 1
635 95 63 PHE N N 117.213 0.050 1
636 96 64 ARG H H 9.110 0.010 1
637 96 64 ARG HA H 4.844 0.010 1
638 96 64 ARG HB2 H 1.703 0.010 2
639 96 64 ARG HB3 H 1.812 0.010 2
640 96 64 ARG HG2 H 1.608 0.010 2
641 96 64 ARG HG3 H 1.524 0.010 2
642 96 64 ARG HD2 H 3.147 0.010 2
643 96 64 ARG HD3 H 3.090 0.010 2
644 96 64 ARG C C 175.060 0.100 1
645 96 64 ARG CA C 54.669 0.100 1
646 96 64 ARG CB C 33.710 0.100 1
647 96 64 ARG CG C 26.597 0.100 1
648 96 64 ARG CD C 43.071 0.100 1
649 96 64 ARG N N 122.530 0.050 1
650 97 65 VAL H H 8.936 0.010 1
651 97 65 VAL HA H 5.269 0.010 1
652 97 65 VAL HB H 2.127 0.010 1
653 97 65 VAL HG1 H 0.979 0.010 2
654 97 65 VAL HG2 H 0.915 0.010 2
655 97 65 VAL C C 175.441 0.100 1
656 97 65 VAL CA C 60.848 0.100 1
657 97 65 VAL CB C 33.625 0.100 1
658 97 65 VAL CG1 C 22.343 0.100 2
659 97 65 VAL CG2 C 22.831 0.100 2
660 97 65 VAL N N 124.341 0.050 1
661 98 66 THR H H 9.135 0.010 1
662 98 66 THR HA H 4.615 0.010 1
663 98 66 THR HB H 3.905 0.010 1
664 98 66 THR HG2 H 1.116 0.010 1
665 98 66 THR C C 172.689 0.100 1
666 98 66 THR CA C 60.360 0.100 1
667 98 66 THR CB C 71.679 0.100 1
668 98 66 THR CG2 C 21.812 0.100 1
669 98 66 THR N N 121.183 0.050 1
670 99 67 GLN H H 8.729 0.010 1
671 99 67 GLN HA H 3.609 0.010 1
672 99 67 GLN HB2 H 1.760 0.010 2
673 99 67 GLN HB3 H 1.049 0.010 2
674 99 67 GLN HG2 H 2.059 0.010 2
675 99 67 GLN HG3 H 1.024 0.010 2
676 99 67 GLN C C 175.074 0.100 1
677 99 67 GLN CA C 55.324 0.100 1
678 99 67 GLN CB C 29.895 0.100 1
679 99 67 GLN CG C 32.902 0.100 1
680 99 67 GLN N N 126.599 0.050 1
681 100 68 LEU H H 8.067 0.010 1
682 100 68 LEU HA H 4.278 0.010 1
683 100 68 LEU HB2 H 1.383 0.010 2
684 100 68 LEU HB3 H 1.383 0.010 2
685 100 68 LEU HG H 1.073 0.010 1
686 100 68 LEU HD1 H 0.090 0.010 2
687 100 68 LEU HD2 H 0.163 0.010 2
688 100 68 LEU CA C 54.155 0.100 1
689 100 68 LEU CB C 37.850 0.100 1
690 100 68 LEU CG C 27.901 0.100 1
691 100 68 LEU CD1 C 23.365 0.100 2
692 100 68 LEU CD2 C 21.613 0.100 2
693 100 68 LEU N N 129.560 0.050 1
694 101 69 PRO HA H 4.138 0.010 1
695 101 69 PRO HB2 H 2.219 0.010 2
696 101 69 PRO HB3 H 1.767 0.010 2
697 101 69 PRO HG2 H 1.861 0.010 2
698 101 69 PRO HG3 H 1.934 0.010 2
699 101 69 PRO HD2 H 3.571 0.010 2
700 101 69 PRO HD3 H 3.571 0.010 2
701 101 69 PRO C C 176.939 0.100 1
702 101 69 PRO CA C 65.105 0.100 1
703 101 69 PRO CB C 31.602 0.100 1
704 101 69 PRO CG C 27.374 0.100 1
705 101 69 PRO CD C 50.735 0.100 1
706 102 70 ASN H H 7.525 0.010 1
707 102 70 ASN HA H 4.279 0.010 1
708 102 70 ASN HB2 H 2.695 0.010 2
709 102 70 ASN HB3 H 2.966 0.010 2
710 102 70 ASN HD21 H 7.168 0.010 2
711 102 70 ASN HD22 H 7.215 0.010 2
712 102 70 ASN C C 177.149 0.100 1
713 102 70 ASN CA C 53.220 0.100 1
714 102 70 ASN CB C 36.982 0.100 1
715 102 70 ASN N N 112.575 0.050 1
716 102 70 ASN ND2 N 110.671 0.050 1
717 103 71 GLY H H 7.990 0.010 1
718 103 71 GLY HA2 H 4.021 0.010 2
719 103 71 GLY HA3 H 3.410 0.010 2
720 103 71 GLY C C 173.087 0.100 1
721 103 71 GLY CA C 46.154 0.100 1
722 103 71 GLY N N 109.037 0.050 1
723 104 72 ARG H H 7.648 0.010 1
724 104 72 ARG HA H 4.535 0.010 1
725 104 72 ARG HB2 H 1.454 0.010 2
726 104 72 ARG HB3 H 1.454 0.010 2
727 104 72 ARG HG2 H 1.306 0.010 2
728 104 72 ARG HG3 H 1.211 0.010 2
729 104 72 ARG HD2 H 2.965 0.010 2
730 104 72 ARG HD3 H 2.965 0.010 2
731 104 72 ARG C C 173.127 0.100 1
732 104 72 ARG CA C 55.821 0.100 1
733 104 72 ARG CB C 32.338 0.100 1
734 104 72 ARG CG C 26.625 0.100 1
735 104 72 ARG CD C 43.184 0.100 1
736 104 72 ARG N N 118.691 0.050 1
737 105 73 ASP H H 7.241 0.010 1
738 105 73 ASP HA H 5.138 0.010 1
739 105 73 ASP HB2 H 2.385 0.010 2
740 105 73 ASP HB3 H 2.062 0.010 2
741 105 73 ASP C C 174.003 0.100 1
742 105 73 ASP CA C 53.672 0.100 1
743 105 73 ASP CB C 43.781 0.100 1
744 105 73 ASP N N 117.583 0.050 1
745 106 74 PHE H H 8.769 0.010 1
746 106 74 PHE HA H 4.875 0.010 1
747 106 74 PHE HB2 H 2.827 0.010 2
748 106 74 PHE HB3 H 2.317 0.010 2
749 106 74 PHE HD1 H 6.717 0.010 3
750 106 74 PHE HD2 H 6.717 0.010 3
751 106 74 PHE C C 176.257 0.100 1
752 106 74 PHE CA C 55.653 0.100 1
753 106 74 PHE CB C 40.874 0.100 1
754 106 74 PHE N N 118.230 0.050 1
755 107 75 HIS H H 8.898 0.010 1
756 107 75 HIS HA H 5.254 0.010 1
757 107 75 HIS HB2 H 2.883 0.010 2
758 107 75 HIS HB3 H 2.627 0.010 2
759 107 75 HIS C C 174.774 0.100 1
760 107 75 HIS CA C 53.222 0.100 1
761 107 75 HIS CB C 32.401 0.100 1
762 107 75 HIS N N 122.838 0.050 1
763 108 76 MET H H 8.969 0.010 1
764 108 76 MET HA H 4.490 0.010 1
765 108 76 MET HB2 H 0.818 0.010 2
766 108 76 MET HB3 H 1.878 0.010 2
767 108 76 MET HG2 H 1.782 0.010 2
768 108 76 MET HG3 H 2.173 0.010 2
769 108 76 MET HE H 1.643 0.010 1
770 108 76 MET C C 173.644 0.100 1
771 108 76 MET CA C 55.523 0.100 1
772 108 76 MET CB C 30.697 0.100 1
773 108 76 MET CG C 35.429 0.100 1
774 108 76 MET CE C 19.644 0.100 1
775 108 76 MET N N 127.679 0.050 1
776 109 77 SER H H 8.917 0.010 1
777 109 77 SER HA H 5.618 0.010 1
778 109 77 SER HB2 H 3.442 0.010 2
779 109 77 SER HB3 H 3.390 0.010 2
780 109 77 SER C C 173.382 0.100 1
781 109 77 SER CA C 56.645 0.100 1
782 109 77 SER CB C 65.599 0.100 1
783 109 77 SER N N 118.411 0.050 1
784 110 78 VAL H H 9.326 0.010 1
785 110 78 VAL HA H 4.507 0.010 1
786 110 78 VAL HB H 1.961 0.010 1
787 110 78 VAL HG1 H 0.555 0.010 2
788 110 78 VAL HG2 H 0.839 0.010 2
789 110 78 VAL C C 175.446 0.100 1
790 110 78 VAL CA C 60.419 0.100 1
791 110 78 VAL CB C 32.995 0.100 1
792 110 78 VAL CG1 C 20.839 0.100 2
793 110 78 VAL CG2 C 21.003 0.100 2
794 110 78 VAL N N 125.699 0.050 1
795 111 79 VAL H H 8.539 0.010 1
796 111 79 VAL HA H 3.764 0.010 1
797 111 79 VAL HB H 1.781 0.010 1
798 111 79 VAL HG1 H 0.732 0.010 2
799 111 79 VAL HG2 H 0.767 0.010 2
800 111 79 VAL C C 175.448 0.100 1
801 111 79 VAL CA C 61.852 0.100 1
802 111 79 VAL CB C 32.086 0.100 1
803 111 79 VAL CG1 C 20.543 0.100 2
804 111 79 VAL CG2 C 20.901 0.100 2
805 111 79 VAL N N 126.630 0.050 1
806 112 80 ARG H H 8.197 0.010 1
807 112 80 ARG HA H 3.261 0.010 1
808 112 80 ARG HB2 H 1.529 0.010 2
809 112 80 ARG HB3 H 1.529 0.010 2
810 112 80 ARG HG2 H 1.852 0.010 2
811 112 80 ARG HG3 H 1.852 0.010 2
812 112 80 ARG HD2 H 3.194 0.010 2
813 112 80 ARG HD3 H 3.084 0.010 2
814 112 80 ARG C C 174.736 0.100 1
815 112 80 ARG CA C 56.637 0.100 1
816 112 80 ARG CB C 28.000 0.100 1
817 112 80 ARG CG C 27.965 0.100 1
818 112 80 ARG CD C 43.237 0.100 1
819 112 80 ARG N N 121.161 0.050 1
820 113 81 ALA H H 8.387 0.010 1
821 113 81 ALA HA H 3.845 0.010 1
822 113 81 ALA HB H 1.135 0.010 1
823 113 81 ALA C C 177.009 0.100 1
824 113 81 ALA CA C 53.010 0.100 1
825 113 81 ALA CB C 18.633 0.100 1
826 113 81 ALA N N 122.456 0.050 1
827 114 82 ARG H H 9.701 0.010 1
828 114 82 ARG HA H 4.782 0.010 1
829 114 82 ARG HB2 H 1.592 0.010 2
830 114 82 ARG HB3 H 1.964 0.010 2
831 114 82 ARG HG2 H 1.717 0.010 2
832 114 82 ARG HG3 H 1.669 0.010 2
833 114 82 ARG HD2 H 3.124 0.010 2
834 114 82 ARG HD3 H 3.069 0.010 2
835 114 82 ARG C C 178.167 0.100 1
836 114 82 ARG CA C 53.532 0.100 1
837 114 82 ARG CB C 33.349 0.100 1
838 114 82 ARG CG C 26.531 0.100 1
839 114 82 ARG CD C 43.850 0.100 1
840 114 82 ARG N N 122.622 0.050 1
841 115 83 ARG H H 9.267 0.010 1
842 115 83 ARG HA H 3.810 0.010 1
843 115 83 ARG HB2 H 1.849 0.010 2
844 115 83 ARG HB3 H 1.772 0.010 2
845 115 83 ARG HG2 H 1.699 0.010 2
846 115 83 ARG HG3 H 1.513 0.010 2
847 115 83 ARG HD2 H 3.057 0.010 2
848 115 83 ARG HD3 H 3.057 0.010 2
849 115 83 ARG C C 179.211 0.100 1
850 115 83 ARG CA C 60.267 0.100 1
851 115 83 ARG CB C 29.139 0.100 1
852 115 83 ARG CG C 26.991 0.100 1
853 115 83 ARG CD C 42.953 0.100 1
854 115 83 ARG N N 122.939 0.050 1
855 116 84 ASN H H 8.374 0.010 1
856 116 84 ASN HA H 4.704 0.010 1
857 116 84 ASN HB2 H 2.935 0.010 2
858 116 84 ASN HB3 H 2.935 0.010 2
859 116 84 ASN C C 175.705 0.100 1
860 116 84 ASN CA C 54.110 0.100 1
861 116 84 ASN CB C 36.857 0.100 1
862 116 84 ASN N N 113.722 0.050 1
863 117 85 ASP H H 8.321 0.010 1
864 117 85 ASP HA H 4.729 0.010 1
865 117 85 ASP HB2 H 2.746 0.010 2
866 117 85 ASP HB3 H 2.982 0.010 2
867 117 85 ASP C C 177.477 0.100 1
868 117 85 ASP CA C 55.528 0.100 1
869 117 85 ASP CB C 41.164 0.100 1
870 117 85 ASP N N 117.173 0.050 1
871 118 86 SER H H 7.845 0.010 1
872 118 86 SER HA H 4.385 0.010 1
873 118 86 SER HB2 H 4.156 0.010 2
874 118 86 SER HB3 H 4.031 0.010 2
875 118 86 SER HG H 5.606 0.010 1
876 118 86 SER C C 173.425 0.100 1
877 118 86 SER CA C 60.665 0.100 1
878 118 86 SER CB C 63.935 0.100 1
879 118 86 SER N N 118.040 0.050 1
880 119 87 GLY H H 9.141 0.010 1
881 119 87 GLY HA2 H 4.054 0.010 2
882 119 87 GLY HA3 H 4.255 0.010 2
883 119 87 GLY C C 171.148 0.100 1
884 119 87 GLY CA C 45.484 0.100 1
885 119 87 GLY N N 112.459 0.050 1
886 120 88 THR H H 8.542 0.010 1
887 120 88 THR HA H 5.242 0.010 1
888 120 88 THR HB H 3.750 0.010 1
889 120 88 THR HG2 H 1.163 0.010 1
890 120 88 THR C C 173.060 0.100 1
891 120 88 THR CA C 61.928 0.100 1
892 120 88 THR CB C 70.250 0.100 1
893 120 88 THR CG2 C 22.641 0.100 1
894 120 88 THR N N 117.605 0.050 1
895 121 89 TYR H H 9.452 0.010 1
896 121 89 TYR HA H 5.270 0.010 1
897 121 89 TYR HB2 H 2.498 0.010 2
898 121 89 TYR HB3 H 2.961 0.010 2
899 121 89 TYR HD1 H 7.006 0.010 3
900 121 89 TYR HD2 H 7.006 0.010 3
901 121 89 TYR HE1 H 6.582 0.010 3
902 121 89 TYR HE2 H 6.582 0.010 3
903 121 89 TYR C C 173.133 0.100 1
904 121 89 TYR CA C 56.506 0.100 1
905 121 89 TYR CB C 44.511 0.100 1
906 121 89 TYR N N 124.166 0.050 1
907 122 90 LEU H H 8.670 0.010 1
908 122 90 LEU HA H 3.790 0.010 1
909 122 90 LEU HB2 H 1.460 0.010 2
910 122 90 LEU HB3 H 1.535 0.010 2
911 122 90 LEU HG H 1.234 0.010 1
912 122 90 LEU HD1 H 0.474 0.010 2
913 122 90 LEU HD2 H 0.474 0.010 2
914 122 90 LEU C C 173.943 0.100 1
915 122 90 LEU CA C 55.929 0.100 1
916 122 90 LEU CB C 42.292 0.100 1
917 122 90 LEU CG C 26.610 0.100 1
918 122 90 LEU CD1 C 26.602 0.100 2
919 122 90 LEU N N 114.551 0.050 1
920 123 91 CYS H H 8.088 0.010 1
921 123 91 CYS HA H 5.589 0.010 1
922 123 91 CYS HB2 H 3.077 0.010 2
923 123 91 CYS HB3 H 1.188 0.010 2
924 123 91 CYS C C 171.861 0.100 1
925 123 91 CYS CA C 53.238 0.100 1
926 123 91 CYS CB C 48.795 0.100 1
927 123 91 CYS N N 115.795 0.050 1
928 124 92 GLY H H 8.927 0.010 1
929 124 92 GLY HA2 H 3.303 0.010 2
930 124 92 GLY HA3 H 5.082 0.010 2
931 124 92 GLY C C 170.036 0.100 1
932 124 92 GLY CA C 45.422 0.100 1
933 124 92 GLY N N 106.676 0.050 1
934 125 93 ALA H H 8.361 0.010 1
935 125 93 ALA HA H 5.254 0.010 1
936 125 93 ALA HB H 0.234 0.010 1
937 125 93 ALA C C 176.059 0.100 1
938 125 93 ALA CA C 49.728 0.100 1
939 125 93 ALA CB C 22.071 0.100 1
940 125 93 ALA N N 125.575 0.050 1
941 126 94 ILE H H 9.022 0.010 1
942 126 94 ILE HA H 4.514 0.010 1
943 126 94 ILE HB H 1.538 0.010 1
944 126 94 ILE HG12 H 1.227 0.010 2
945 126 94 ILE HG13 H 1.107 0.010 2
946 126 94 ILE HG2 H 0.779 0.010 1
947 126 94 ILE HD1 H 0.691 0.010 1
948 126 94 ILE C C 174.467 0.100 1
949 126 94 ILE CA C 59.764 0.100 1
950 126 94 ILE CB C 41.362 0.100 1
951 126 94 ILE CG1 C 28.205 0.100 1
952 126 94 ILE CG2 C 16.421 0.100 1
953 126 94 ILE CD1 C 13.862 0.100 1
954 126 94 ILE N N 122.223 0.050 1
955 127 95 SER H H 8.419 0.010 1
956 127 95 SER HA H 4.656 0.010 1
957 127 95 SER HB2 H 3.908 0.010 2
958 127 95 SER HB3 H 3.731 0.010 2
959 127 95 SER C C 173.579 0.100 1
960 127 95 SER CA C 57.885 0.100 1
961 127 95 SER CB C 63.710 0.100 1
962 127 95 SER N N 122.605 0.050 1
963 128 96 LEU H H 8.065 0.010 1
964 128 96 LEU HA H 4.248 0.010 1
965 128 96 LEU HB2 H 1.523 0.010 2
966 128 96 LEU HB3 H 1.454 0.010 2
967 128 96 LEU HG H 1.393 0.010 1
968 128 96 LEU HD1 H 0.723 0.010 2
969 128 96 LEU HD2 H 0.681 0.010 2
970 128 96 LEU C C 176.561 0.100 1
971 128 96 LEU CA C 54.623 0.100 1
972 128 96 LEU CB C 40.164 0.100 1
973 128 96 LEU CG C 27.321 0.100 1
974 128 96 LEU CD1 C 24.907 0.100 2
975 128 96 LEU CD2 C 22.947 0.100 2
976 128 96 LEU N N 122.335 0.050 1
977 129 97 ALA H H 7.731 0.010 1
978 129 97 ALA HA H 4.449 0.010 1
979 129 97 ALA HB H 1.249 0.010 1
980 129 97 ALA CA C 50.534 0.100 1
981 129 97 ALA CB C 18.301 0.100 1
982 129 97 ALA N N 125.103 0.050 1
983 130 98 PRO HA H 4.224 0.010 1
984 130 98 PRO HB2 H 2.257 0.010 2
985 130 98 PRO HB3 H 1.757 0.010 2
986 130 98 PRO HG2 H 2.018 0.010 2
987 130 98 PRO HG3 H 1.932 0.010 2
988 130 98 PRO HD2 H 3.547 0.010 2
989 130 98 PRO HD3 H 3.748 0.010 2
990 130 98 PRO C C 177.552 0.100 1
991 130 98 PRO CA C 64.103 0.100 1
992 130 98 PRO CB C 31.716 0.100 1
993 130 98 PRO CG C 27.702 0.100 1
994 130 98 PRO CD C 50.213 0.100 1
995 131 99 LYS H H 8.540 0.010 1
996 131 99 LYS HA H 3.938 0.010 1
997 131 99 LYS HB2 H 1.848 0.010 2
998 131 99 LYS HB3 H 1.848 0.010 2
999 131 99 LYS HG2 H 1.256 0.010 2
1000 131 99 LYS HG3 H 1.256 0.010 2
1001 131 99 LYS HD2 H 1.581 0.010 2
1002 131 99 LYS HD3 H 1.581 0.010 2
1003 131 99 LYS HE2 H 2.880 0.010 2
1004 131 99 LYS HE3 H 2.880 0.010 2
1005 131 99 LYS C C 175.647 0.100 1
1006 131 99 LYS CA C 56.470 0.100 1
1007 131 99 LYS CB C 30.025 0.100 1
1008 131 99 LYS CG C 25.112 0.100 1
1009 131 99 LYS CD C 28.886 0.100 1
1010 131 99 LYS CE C 41.805 0.100 1
1011 131 99 LYS N N 116.400 0.050 1
1012 132 100 ALA H H 7.408 0.010 1
1013 132 100 ALA HA H 4.081 0.010 1
1014 132 100 ALA HB H 1.379 0.010 1
1015 132 100 ALA C C 177.270 0.100 1
1016 132 100 ALA CA C 53.055 0.100 1
1017 132 100 ALA CB C 20.678 0.100 1
1018 132 100 ALA N N 123.044 0.050 1
1019 133 101 GLN H H 8.267 0.010 1
1020 133 101 GLN HA H 4.468 0.010 1
1021 133 101 GLN HB2 H 2.013 0.010 2
1022 133 101 GLN HB3 H 1.826 0.010 2
1023 133 101 GLN HG2 H 2.299 0.010 2
1024 133 101 GLN HG3 H 2.299 0.010 2
1025 133 101 GLN HE21 H 6.928 0.010 2
1026 133 101 GLN HE22 H 7.549 0.010 2
1027 133 101 GLN C C 175.658 0.100 1
1028 133 101 GLN CA C 54.029 0.100 1
1029 133 101 GLN CB C 31.276 0.100 1
1030 133 101 GLN CG C 33.705 0.100 1
1031 133 101 GLN N N 119.081 0.050 1
1032 133 101 GLN NE2 N 112.789 0.050 1
1033 134 102 ILE H H 8.523 0.010 1
1034 134 102 ILE HA H 4.037 0.010 1
1035 134 102 ILE HB H 1.627 0.010 1
1036 134 102 ILE HG12 H 0.854 0.010 2
1037 134 102 ILE HG13 H 1.341 0.010 2
1038 134 102 ILE HG2 H 0.680 0.010 1
1039 134 102 ILE HD1 H 0.734 0.010 1
1040 134 102 ILE C C 175.160 0.100 1
1041 134 102 ILE CA C 61.404 0.100 1
1042 134 102 ILE CB C 39.275 0.100 1
1043 134 102 ILE CG1 C 28.738 0.100 1
1044 134 102 ILE CG2 C 16.946 0.100 1
1045 134 102 ILE CD1 C 14.317 0.100 1
1046 134 102 ILE N N 124.023 0.050 1
1047 135 103 LYS H H 8.658 0.010 1
1048 135 103 LYS HA H 4.599 0.010 1
1049 135 103 LYS HB2 H 1.744 0.010 2
1050 135 103 LYS HB3 H 1.508 0.010 2
1051 135 103 LYS HG2 H 1.396 0.010 2
1052 135 103 LYS HG3 H 1.497 0.010 2
1053 135 103 LYS HD2 H 1.631 0.010 2
1054 135 103 LYS HD3 H 1.565 0.010 2
1055 135 103 LYS HE2 H 2.967 0.010 2
1056 135 103 LYS HE3 H 2.967 0.010 2
1057 135 103 LYS C C 175.237 0.100 1
1058 135 103 LYS CA C 54.460 0.100 1
1059 135 103 LYS CB C 33.492 0.100 1
1060 135 103 LYS CG C 24.493 0.100 1
1061 135 103 LYS CD C 29.245 0.100 1
1062 135 103 LYS CE C 41.907 0.100 1
1063 135 103 LYS N N 127.203 0.050 1
1064 136 104 GLU H H 8.579 0.010 1
1065 136 104 GLU HA H 4.423 0.010 1
1066 136 104 GLU HB2 H 1.944 0.010 2
1067 136 104 GLU HB3 H 1.808 0.010 2
1068 136 104 GLU HG2 H 1.692 0.010 2
1069 136 104 GLU HG3 H 2.070 0.010 2
1070 136 104 GLU C C 176.373 0.100 1
1071 136 104 GLU CA C 56.151 0.100 1
1072 136 104 GLU CB C 32.360 0.100 1
1073 136 104 GLU CG C 36.906 0.100 1
1074 136 104 GLU N N 123.398 0.050 1
1075 137 105 SER H H 8.732 0.010 1
1076 137 105 SER HA H 4.718 0.010 1
1077 137 105 SER HB2 H 3.512 0.010 2
1078 137 105 SER HB3 H 4.205 0.010 2
1079 137 105 SER C C 174.103 0.100 1
1080 137 105 SER CA C 57.853 0.100 1
1081 137 105 SER CB C 66.981 0.100 1
1082 137 105 SER N N 116.980 0.050 1
1083 138 106 LEU H H 8.105 0.010 1
1084 138 106 LEU HA H 4.398 0.010 1
1085 138 106 LEU HB2 H 1.707 0.010 2
1086 138 106 LEU HB3 H 1.916 0.010 2
1087 138 106 LEU HG H 1.834 0.010 1
1088 138 106 LEU HD1 H 0.982 0.010 2
1089 138 106 LEU HD2 H 0.949 0.010 2
1090 138 106 LEU C C 177.827 0.100 1
1091 138 106 LEU CA C 55.378 0.100 1
1092 138 106 LEU CB C 41.818 0.100 1
1093 138 106 LEU CG C 27.041 0.100 1
1094 138 106 LEU CD1 C 25.322 0.100 2
1095 138 106 LEU CD2 C 22.538 0.100 2
1096 138 106 LEU N N 117.076 0.050 1
1097 139 107 ARG H H 8.302 0.010 1
1098 139 107 ARG HA H 4.713 0.010 1
1099 139 107 ARG HB2 H 1.737 0.010 2
1100 139 107 ARG HB3 H 1.737 0.010 2
1101 139 107 ARG HG2 H 1.673 0.010 2
1102 139 107 ARG HG3 H 1.462 0.010 2
1103 139 107 ARG HD2 H 3.005 0.010 2
1104 139 107 ARG HD3 H 3.039 0.010 2
1105 139 107 ARG C C 175.975 0.100 1
1106 139 107 ARG CA C 56.217 0.100 1
1107 139 107 ARG CB C 31.401 0.100 1
1108 139 107 ARG CG C 28.871 0.100 1
1109 139 107 ARG CD C 43.524 0.100 1
1110 139 107 ARG N N 120.264 0.050 1
1111 140 108 ALA H H 9.343 0.010 1
1112 140 108 ALA HA H 5.051 0.010 1
1113 140 108 ALA HB H 1.392 0.010 1
1114 140 108 ALA C C 175.451 0.100 1
1115 140 108 ALA CA C 50.802 0.100 1
1116 140 108 ALA CB C 25.279 0.100 1
1117 140 108 ALA N N 125.223 0.050 1
1118 141 109 GLU H H 8.489 0.010 1
1119 141 109 GLU HA H 5.313 0.010 1
1120 141 109 GLU HB2 H 2.008 0.010 2
1121 141 109 GLU HB3 H 2.008 0.010 2
1122 141 109 GLU HG2 H 1.963 0.010 2
1123 141 109 GLU HG3 H 2.342 0.010 2
1124 141 109 GLU C C 174.386 0.100 1
1125 141 109 GLU CA C 54.576 0.100 1
1126 141 109 GLU CB C 32.822 0.100 1
1127 141 109 GLU CG C 36.279 0.100 1
1128 141 109 GLU N N 120.211 0.050 1
1129 142 110 LEU H H 9.424 0.010 1
1130 142 110 LEU HA H 5.490 0.010 1
1131 142 110 LEU HB2 H 2.377 0.010 2
1132 142 110 LEU HB3 H 1.493 0.010 2
1133 142 110 LEU HG H 1.291 0.010 1
1134 142 110 LEU HD1 H 0.631 0.010 2
1135 142 110 LEU HD2 H 0.651 0.010 2
1136 142 110 LEU C C 176.414 0.100 1
1137 142 110 LEU CA C 52.825 0.100 1
1138 142 110 LEU CB C 45.680 0.100 1
1139 142 110 LEU CG C 28.121 0.100 1
1140 142 110 LEU CD1 C 23.594 0.100 2
1141 142 110 LEU CD2 C 25.476 0.100 2
1142 142 110 LEU N N 125.429 0.050 1
1143 143 111 ARG H H 9.577 0.010 1
1144 143 111 ARG HA H 4.590 0.010 1
1145 143 111 ARG HB2 H 1.694 0.010 2
1146 143 111 ARG HB3 H 1.819 0.010 2
1147 143 111 ARG HG2 H 1.518 0.010 2
1148 143 111 ARG HG3 H 1.518 0.010 2
1149 143 111 ARG HD2 H 3.184 0.010 2
1150 143 111 ARG HD3 H 2.967 0.010 2
1151 143 111 ARG C C 172.613 0.100 1
1152 143 111 ARG CA C 55.432 0.100 1
1153 143 111 ARG CB C 32.722 0.100 1
1154 143 111 ARG CG C 27.120 0.100 1
1155 143 111 ARG CD C 43.412 0.100 1
1156 143 111 ARG N N 130.380 0.050 1
1157 144 112 VAL H H 8.118 0.010 1
1158 144 112 VAL HA H 4.848 0.010 1
1159 144 112 VAL HB H 1.869 0.010 1
1160 144 112 VAL HG1 H 0.649 0.010 2
1161 144 112 VAL HG2 H 0.424 0.010 2
1162 144 112 VAL C C 176.627 0.100 1
1163 144 112 VAL CA C 60.067 0.100 1
1164 144 112 VAL CB C 32.414 0.100 1
1165 144 112 VAL CG1 C 19.817 0.100 2
1166 144 112 VAL CG2 C 20.637 0.100 2
1167 144 112 VAL N N 125.007 0.050 1
1168 145 113 THR H H 9.163 0.010 1
1169 145 113 THR HA H 4.388 0.010 1
1170 145 113 THR HB H 4.211 0.010 1
1171 145 113 THR HG2 H 1.005 0.010 1
1172 145 113 THR C C 173.946 0.100 1
1173 145 113 THR CA C 60.419 0.100 1
1174 145 113 THR CB C 70.536 0.100 1
1175 145 113 THR CG2 C 21.363 0.100 1
1176 145 113 THR N N 120.447 0.050 1
1177 146 114 GLU H H 8.633 0.010 1
1178 146 114 GLU HA H 4.088 0.010 1
1179 146 114 GLU HB2 H 1.852 0.010 2
1180 146 114 GLU HB3 H 1.852 0.010 2
1181 146 114 GLU HG2 H 2.160 0.010 2
1182 146 114 GLU HG3 H 2.160 0.010 2
1183 146 114 GLU C C 176.472 0.100 1
1184 146 114 GLU CA C 56.539 0.100 1
1185 146 114 GLU CB C 30.613 0.100 1
1186 146 114 GLU CG C 36.208 0.100 1
1187 146 114 GLU N N 120.843 0.050 1
1188 147 115 ARG H H 9.220 0.010 1
1189 147 115 ARG HA H 4.143 0.010 1
1190 147 115 ARG HB2 H 1.712 0.010 2
1191 147 115 ARG HB3 H 1.712 0.010 2
1192 147 115 ARG HG2 H 1.496 0.010 2
1193 147 115 ARG HG3 H 1.496 0.010 2
1194 147 115 ARG HD2 H 3.188 0.010 2
1195 147 115 ARG HD3 H 3.058 0.010 2
1196 147 115 ARG C C 175.868 0.100 1
1197 147 115 ARG CA C 56.279 0.100 1
1198 147 115 ARG CB C 30.547 0.100 1
1199 147 115 ARG CG C 27.301 0.100 1
1200 147 115 ARG CD C 42.908 0.100 1
1201 147 115 ARG N N 125.782 0.050 1
1202 148 116 ARG H H 8.522 0.010 1
1203 148 116 ARG HA H 4.250 0.010 1
1204 148 116 ARG HB2 H 1.743 0.010 2
1205 148 116 ARG HB3 H 1.657 0.010 2
1206 148 116 ARG HG2 H 1.541 0.010 2
1207 148 116 ARG HG3 H 1.541 0.010 2
1208 148 116 ARG HD2 H 3.110 0.010 2
1209 148 116 ARG HD3 H 3.110 0.010 2
1210 148 116 ARG C C 175.603 0.100 1
1211 148 116 ARG CA C 55.776 0.100 1
1212 148 116 ARG CB C 31.002 0.100 1
1213 148 116 ARG CG C 27.086 0.100 1
1214 148 116 ARG CD C 43.039 0.100 1
1215 148 116 ARG N N 126.035 0.050 1
1216 149 117 ALA H H 8.373 0.010 1
1217 149 117 ALA HA H 4.245 0.010 1
1218 149 117 ALA HB H 1.295 0.010 1
1219 149 117 ALA C C 176.510 0.100 1
1220 149 117 ALA CA C 52.290 0.100 1
1221 149 117 ALA CB C 19.142 0.100 1
1222 149 117 ALA N N 126.933 0.050 1
1223 150 118 GLU H H 7.882 0.010 1
1224 150 118 GLU HA H 4.017 0.010 1
1225 150 118 GLU HB2 H 1.951 0.010 2
1226 150 118 GLU HB3 H 1.787 0.010 2
1227 150 118 GLU HG2 H 2.098 0.010 2
1228 150 118 GLU HG3 H 2.098 0.010 2
1229 150 118 GLU CA C 57.755 0.100 1
1230 150 118 GLU CB C 31.159 0.100 1
1231 150 118 GLU CG C 36.516 0.100 1
1232 150 118 GLU N N 125.602 0.047 1
stop_
save_