data_6625
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N assignments of a New Phosphohistidine Phosphatase Protein PHPT1 from Homo sapiens
;
_BMRB_accession_number 6625
_BMRB_flat_file_name bmr6625.str
_Entry_type original
_Submission_date 2005-05-12
_Accession_date 2005-05-12
_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 Gong Weibin . .
2 Cui Gaofeng . .
3 Jin Changwen . .
4 Xia Bin . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 589
"13C chemical shifts" 475
"15N chemical shifts" 113
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-09-08 update BMRB 'complete entry citation'
2008-01-28 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title '(1)H, (13)C, and (15)N resonance assignments of human phosphohistidine phosphatase 1 (PHPT1)'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636872
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Gong Weibin . .
2 Cui Gaofeng . .
3 Jin Changwen . .
4 Xia Bin . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_volume 1
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 229
_Page_last 231
_Year 2007
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name PHPT1
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
PHPT1 $phosphohistidine_phosphatase
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_phosphohistidine_phosphatase
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common PHPT1
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 125
_Mol_residue_sequence
;
MAVADLALIPDVDIDSDGVF
KYVLIRVHSAPRSGAPAAES
KEIVRGYKWAEYHADIYDKV
SGDMQKQGCDCECLGGGRIS
HQSQDKKIHVYGYSMAYGPA
QHAISTEKIKAKYPDYEVTW
ANDGY
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 VAL 4 ALA 5 ASP
6 LEU 7 ALA 8 LEU 9 ILE 10 PRO
11 ASP 12 VAL 13 ASP 14 ILE 15 ASP
16 SER 17 ASP 18 GLY 19 VAL 20 PHE
21 LYS 22 TYR 23 VAL 24 LEU 25 ILE
26 ARG 27 VAL 28 HIS 29 SER 30 ALA
31 PRO 32 ARG 33 SER 34 GLY 35 ALA
36 PRO 37 ALA 38 ALA 39 GLU 40 SER
41 LYS 42 GLU 43 ILE 44 VAL 45 ARG
46 GLY 47 TYR 48 LYS 49 TRP 50 ALA
51 GLU 52 TYR 53 HIS 54 ALA 55 ASP
56 ILE 57 TYR 58 ASP 59 LYS 60 VAL
61 SER 62 GLY 63 ASP 64 MET 65 GLN
66 LYS 67 GLN 68 GLY 69 CYS 70 ASP
71 CYS 72 GLU 73 CYS 74 LEU 75 GLY
76 GLY 77 GLY 78 ARG 79 ILE 80 SER
81 HIS 82 GLN 83 SER 84 GLN 85 ASP
86 LYS 87 LYS 88 ILE 89 HIS 90 VAL
91 TYR 92 GLY 93 TYR 94 SER 95 MET
96 ALA 97 TYR 98 GLY 99 PRO 100 ALA
101 GLN 102 HIS 103 ALA 104 ILE 105 SER
106 THR 107 GLU 108 LYS 109 ILE 110 LYS
111 ALA 112 LYS 113 TYR 114 PRO 115 ASP
116 TYR 117 GLU 118 VAL 119 THR 120 TRP
121 ALA 122 ASN 123 ASP 124 GLY 125 TYR
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 15599 entity_phpt1_lower 100.00 125 100.00 100.00 2.94e-85
PDB 2AI6 "Solution Structure Of Human Phosphohistidine Phosphatase 1" 99.20 125 100.00 100.00 1.74e-84
PDB 2HW4 "Crystal Structure Of Human Phosphohistidine Phosphatase" 96.80 144 100.00 100.00 1.43e-82
PDB 2NMM "Crystal Structure Of Human Phosphohistidine Phosphatase. Northeast Structural Genomics Consortium Target Hr1409" 99.20 135 98.39 98.39 6.18e-82
PDB 2OZW "Solution Structure Of Human Phosphohistidine Phosphatase 1 With Phosphate Ligand" 99.20 125 100.00 100.00 1.74e-84
PDB 2OZX "Solution Structure Of Human Phosphohistidine Phosphatase 1 In Phosphate Free Form" 99.20 125 100.00 100.00 1.74e-84
DBJ BAI46371 "phosphohistidine phosphatase 1 [synthetic construct]" 100.00 125 97.60 98.40 7.52e-84
EMBL CAB66579 "hypothetical protein [Homo sapiens]" 100.00 125 97.60 98.40 7.52e-84
EMBL CAG38512 "PHP14 [Homo sapiens]" 100.00 125 97.60 98.40 1.24e-83
EMBL CAL38548 "hypothetical protein [synthetic construct]" 100.00 125 97.60 98.40 7.52e-84
GB AAF80759 "sex-regulated protein janus-a [Homo sapiens]" 100.00 125 100.00 100.00 2.94e-85
GB AAG01156 "CGI-202 [Homo sapiens]" 100.00 125 100.00 100.00 2.94e-85
GB AAH24648 "Phosphohistidine phosphatase 1 [Homo sapiens]" 100.00 125 100.00 100.00 2.94e-85
GB AAN52504 "phosphohistidine phosphatase [Homo sapiens]" 100.00 125 100.00 100.00 2.94e-85
GB ACJ13700 "epididymis secretory sperm binding protein Li 132P [Homo sapiens]" 100.00 125 100.00 100.00 2.94e-85
REF NP_001129333 "14 kDa phosphohistidine phosphatase isoform 2 [Homo sapiens]" 76.00 124 100.00 100.00 1.12e-60
REF NP_001274271 "14 kDa phosphohistidine phosphatase isoform 4 [Homo sapiens]" 101.60 127 98.43 98.43 3.18e-83
REF NP_054891 "14 kDa phosphohistidine phosphatase isoform 3 [Homo sapiens]" 100.00 125 100.00 100.00 2.94e-85
REF XP_001117869 "PREDICTED: hypothetical protein LOC721674 [Macaca mulatta]" 57.60 153 98.61 98.61 5.47e-44
REF XP_003817025 "PREDICTED: 14 kDa phosphohistidine phosphatase [Pan paniscus]" 57.60 99 100.00 100.00 4.13e-44
SP Q9NRX4 "RecName: Full=14 kDa phosphohistidine phosphatase; AltName: Full=Phosphohistidine phosphatase 1; AltName: Full=Protein janus-A " 100.00 125 100.00 100.00 2.94e-85
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$phosphohistidine_phosphatase 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
$phosphohistidine_phosphatase 'recombinant technology' 'E. coli' . . . .
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
$phosphohistidine_phosphatase 0.8 mM '[U-15N; U-13C]'
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 500
_Details .
save_
save_600MHz_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_Sample_label $sample_1
save_
save_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label $sample_1
save_
save_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_HN(CA)CO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CA)CO
_Sample_label $sample_1
save_
save_HCCH-COSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-COSY
_Sample_label $sample_1
save_
save_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label $sample_1
save_
save_CCCONH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CCCONH
_Sample_label $sample_1
save_
save_HBHA(CO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CO)NH
_Sample_label $sample_1
save_
save_1H15N_HSQC_(example)
_Saveframe_category NMR_applied_experiment
_Experiment_name .
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298 0.2 K
pH 7.2 0.05 pH
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name PHPT1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 1 1 MET HA H 4.433 0.03 1
2 1 1 MET HB2 H 1.940 0.03 2
3 1 1 MET HB3 H 2.031 0.03 2
4 1 1 MET C C 175.455 0.3 1
5 1 1 MET CA C 55.300 0.3 1
6 1 1 MET CB C 33.200 0.3 1
7 2 2 ALA H H 8.361 0.03 1
8 2 2 ALA HA H 4.356 0.03 1
9 2 2 ALA HB H 1.351 0.03 1
10 2 2 ALA C C 177.292 0.3 1
11 2 2 ALA CA C 52.370 0.3 1
12 2 2 ALA CB C 19.360 0.3 1
13 2 2 ALA N N 126.960 0.3 1
14 3 3 VAL H H 8.058 0.03 1
15 3 3 VAL HA H 4.156 0.03 1
16 3 3 VAL HB H 2.071 0.03 1
17 3 3 VAL HG1 H 0.964 0.03 2
18 3 3 VAL HG2 H 0.964 0.03 2
19 3 3 VAL C C 175.840 0.3 1
20 3 3 VAL CA C 61.980 0.3 1
21 3 3 VAL CB C 33.030 0.3 1
22 3 3 VAL CG1 C 20.760 0.3 1
23 3 3 VAL CG2 C 21.510 0.3 1
24 3 3 VAL N N 119.930 0.3 1
25 4 4 ALA H H 8.445 0.03 1
26 4 4 ALA HA H 4.294 0.03 1
27 4 4 ALA HB H 1.321 0.03 1
28 4 4 ALA C C 176.819 0.3 1
29 4 4 ALA CA C 52.650 0.3 1
30 4 4 ALA CB C 19.760 0.3 1
31 4 4 ALA N N 128.700 0.3 1
32 5 5 ASP H H 8.014 0.03 1
33 5 5 ASP HA H 4.626 0.03 1
34 5 5 ASP HB2 H 2.574 0.03 2
35 5 5 ASP HB3 H 2.759 0.03 2
36 5 5 ASP C C 177.869 0.3 1
37 5 5 ASP CA C 53.600 0.3 1
38 5 5 ASP CB C 41.320 0.3 1
39 5 5 ASP N N 120.500 0.3 1
40 6 6 LEU H H 8.701 0.03 1
41 6 6 LEU HA H 3.922 0.03 1
42 6 6 LEU HB2 H 1.343 0.03 2
43 6 6 LEU HB3 H 1.773 0.03 2
44 6 6 LEU HG H 1.689 0.03 1
45 6 6 LEU HD1 H 0.750 0.03 2
46 6 6 LEU HD2 H 0.668 0.03 2
47 6 6 LEU C C 178.638 0.3 1
48 6 6 LEU CA C 57.170 0.3 1
49 6 6 LEU CB C 41.300 0.3 1
50 6 6 LEU CG C 27.260 0.3 1
51 6 6 LEU CD1 C 25.510 0.3 1
52 6 6 LEU CD2 C 23.760 0.3 1
53 6 6 LEU N N 125.320 0.3 1
54 7 7 ALA H H 8.243 0.03 1
55 7 7 ALA HA H 4.106 0.03 1
56 7 7 ALA HB H 1.413 0.03 1
57 7 7 ALA C C 179.285 0.3 1
58 7 7 ALA CA C 54.150 0.3 1
59 7 7 ALA CB C 18.260 0.3 1
60 7 7 ALA N N 120.400 0.3 1
61 8 8 LEU H H 7.412 0.03 1
62 8 8 LEU HA H 4.200 0.03 1
63 8 8 LEU HB2 H 1.694 0.03 2
64 8 8 LEU HB3 H 1.758 0.03 2
65 8 8 LEU HG H 1.620 0.03 1
66 8 8 LEU HD1 H 0.988 0.03 2
67 8 8 LEU HD2 H 0.825 0.03 2
68 8 8 LEU C C 177.239 0.3 1
69 8 8 LEU CA C 54.700 0.3 1
70 8 8 LEU CB C 41.780 0.3 1
71 8 8 LEU CG C 27.240 0.3 1
72 8 8 LEU CD1 C 25.510 0.3 1
73 8 8 LEU CD2 C 22.520 0.3 1
74 8 8 LEU N N 115.960 0.3 1
75 9 9 ILE H H 7.407 0.03 1
76 9 9 ILE HA H 4.285 0.03 1
77 9 9 ILE HB H 1.828 0.03 1
78 9 9 ILE HG12 H 1.071 0.03 2
79 9 9 ILE HG13 H 1.548 0.03 2
80 9 9 ILE HG2 H 0.792 0.03 1
81 9 9 ILE HD1 H 0.840 0.03 1
82 9 9 ILE C C 174.073 0.3 1
83 9 9 ILE CA C 58.230 0.3 1
84 9 9 ILE CB C 39.340 0.3 1
85 9 9 ILE CG1 C 27.230 0.3 1
86 9 9 ILE CG2 C 17.040 0.3 1
87 9 9 ILE CD1 C 14.680 0.3 1
88 9 9 ILE N N 123.360 0.3 1
89 10 10 PRO HA H 4.776 0.03 1
90 10 10 PRO C C 178.796 0.3 1
91 10 10 PRO CA C 63.210 0.3 1
92 10 10 PRO CB C 31.980 0.3 1
93 11 11 ASP H H 8.916 0.03 1
94 11 11 ASP HA H 4.481 0.03 1
95 11 11 ASP HB2 H 2.573 0.03 2
96 11 11 ASP HB3 H 2.855 0.03 2
97 11 11 ASP CA C 57.850 0.3 1
98 11 11 ASP CB C 41.250 0.3 1
99 11 11 ASP N N 126.760 0.3 1
100 12 12 VAL H H 8.401 0.03 1
101 12 12 VAL HA H 4.425 0.03 1
102 12 12 VAL HB H 1.877 0.03 1
103 12 12 VAL HG1 H 0.716 0.03 2
104 12 12 VAL HG2 H 0.898 0.03 2
105 12 12 VAL C C 173.628 0.3 1
106 12 12 VAL CA C 61.250 0.3 1
107 12 12 VAL CB C 35.810 0.3 1
108 12 12 VAL CG1 C 22.650 0.3 1
109 12 12 VAL CG2 C 23.250 0.3 1
110 12 12 VAL N N 117.270 0.3 1
111 13 13 ASP H H 7.524 0.03 1
112 13 13 ASP HA H 4.887 0.03 1
113 13 13 ASP HB2 H 2.332 0.03 2
114 13 13 ASP HB3 H 2.736 0.03 2
115 13 13 ASP C C 173.016 0.3 1
116 13 13 ASP CA C 55.770 0.3 1
117 13 13 ASP CB C 42.230 0.3 1
118 13 13 ASP N N 126.790 0.3 1
119 14 14 ILE H H 8.407 0.03 1
120 14 14 ILE HA H 5.391 0.03 1
121 14 14 ILE HB H 2.032 0.03 1
122 14 14 ILE HG12 H 1.690 0.03 2
123 14 14 ILE HG13 H 0.920 0.03 2
124 14 14 ILE HG2 H 0.662 0.03 1
125 14 14 ILE HD1 H 0.656 0.03 1
126 14 14 ILE CA C 57.410 0.3 1
127 14 14 ILE CB C 42.960 0.3 1
128 14 14 ILE CG1 C 24.710 0.3 1
129 14 14 ILE CG2 C 17.870 0.3 1
130 14 14 ILE CD1 C 17.640 0.3 1
131 14 14 ILE N N 117.450 0.3 1
132 15 15 ASP HA H 4.636 0.03 1
133 15 15 ASP HB2 H 2.714 0.03 2
134 15 15 ASP HB3 H 2.267 0.03 2
135 15 15 ASP CA C 53.810 0.3 1
136 15 15 ASP CB C 41.960 0.3 1
137 18 18 GLY C C 181.629 0.3 1
138 19 19 VAL H H 8.372 0.03 1
139 19 19 VAL HA H 5.282 0.03 1
140 19 19 VAL HB H 1.932 0.03 1
141 19 19 VAL HG1 H 0.842 0.03 2
142 19 19 VAL HG2 H 0.982 0.03 2
143 19 19 VAL C C 176.574 0.3 1
144 19 19 VAL CA C 60.760 0.3 1
145 19 19 VAL CB C 33.590 0.3 1
146 19 19 VAL CG1 C 21.600 0.3 1
147 19 19 VAL CG2 C 21.190 0.3 1
148 19 19 VAL N N 120.700 0.3 1
149 20 20 PHE H H 8.221 0.03 1
150 20 20 PHE HA H 5.147 0.03 1
151 20 20 PHE HB2 H 2.730 0.03 2
152 20 20 PHE HB3 H 3.032 0.03 2
153 20 20 PHE C C 173.933 0.3 1
154 20 20 PHE CA C 54.310 0.3 1
155 20 20 PHE CB C 40.130 0.3 1
156 20 20 PHE N N 121.930 0.3 1
157 21 21 LYS H H 8.794 0.03 1
158 21 21 LYS HA H 4.414 0.03 1
159 21 21 LYS HB2 H 0.457 0.03 2
160 21 21 LYS HB3 H 1.335 0.03 2
161 21 21 LYS HD2 H 1.412 0.03 2
162 21 21 LYS HD3 H 1.660 0.03 2
163 21 21 LYS HE2 H 2.833 0.03 2
164 21 21 LYS HE3 H 2.931 0.03 2
165 21 21 LYS C C 173.645 0.3 1
166 21 21 LYS CA C 57.800 0.3 1
167 21 21 LYS CB C 33.680 0.3 1
168 21 21 LYS CG C 28.010 0.3 1
169 21 21 LYS CD C 29.010 0.3 1
170 21 21 LYS CE C 42.640 0.3 1
171 21 21 LYS N N 121.120 0.3 1
172 22 22 TYR H H 8.357 0.03 1
173 22 22 TYR HA H 5.643 0.03 1
174 22 22 TYR HB2 H 2.260 0.03 2
175 22 22 TYR HB3 H 3.067 0.03 2
176 22 22 TYR HD1 H 6.780 0.03 3
177 22 22 TYR HE1 H 7.590 0.03 3
178 22 22 TYR C C 173.173 0.3 1
179 22 22 TYR CA C 54.700 0.3 1
180 22 22 TYR CB C 44.850 0.3 1
181 22 22 TYR CD1 C 131.740 0.3 3
182 22 22 TYR CE1 C 118.340 0.3 3
183 22 22 TYR N N 119.550 0.3 1
184 23 23 VAL H H 9.121 0.03 1
185 23 23 VAL HA H 4.574 0.03 1
186 23 23 VAL HB H 2.020 0.03 1
187 23 23 VAL HG1 H 0.905 0.03 2
188 23 23 VAL HG2 H 0.928 0.03 2
189 23 23 VAL C C 172.229 0.3 1
190 23 23 VAL CA C 59.190 0.3 1
191 23 23 VAL CB C 35.350 0.3 1
192 23 23 VAL CG1 C 20.510 0.3 1
193 23 23 VAL CG2 C 24.010 0.3 1
194 23 23 VAL N N 114.460 0.3 1
195 24 24 LEU H H 7.876 0.03 1
196 24 24 LEU HA H 5.230 0.03 1
197 24 24 LEU HB2 H 1.037 0.03 2
198 24 24 LEU HB3 H 1.590 0.03 2
199 24 24 LEU HG H 1.316 0.03 1
200 24 24 LEU HD1 H 0.800 0.03 2
201 24 24 LEU HD2 H 0.866 0.03 2
202 24 24 LEU C C 174.686 0.3 1
203 24 24 LEU CA C 53.060 0.3 1
204 24 24 LEU CB C 45.070 0.3 1
205 24 24 LEU CG C 27.770 0.3 1
206 24 24 LEU CD1 C 26.040 0.3 1
207 24 24 LEU CD2 C 22.750 0.3 1
208 24 24 LEU N N 126.150 0.3 1
209 25 25 ILE H H 9.171 0.03 1
210 25 25 ILE HA H 4.788 0.03 1
211 25 25 ILE HB H 1.634 0.03 1
212 25 25 ILE HG12 H 1.643 0.03 2
213 25 25 ILE HG13 H 0.984 0.03 2
214 25 25 ILE HG2 H 0.858 0.03 1
215 25 25 ILE HD1 H 0.931 0.03 1
216 25 25 ILE C C 174.456 0.3 1
217 25 25 ILE CA C 59.590 0.3 1
218 25 25 ILE CB C 43.160 0.3 1
219 25 25 ILE CG1 C 28.250 0.3 1
220 25 25 ILE CG2 C 15.510 0.3 1
221 25 25 ILE CD1 C 17.520 0.3 1
222 25 25 ILE N N 127.610 0.3 1
223 26 26 ARG H H 9.260 0.03 1
224 26 26 ARG HA H 5.076 0.03 1
225 26 26 ARG HB2 H 1.712 0.03 2
226 26 26 ARG HB3 H 1.880 0.03 2
227 26 26 ARG HG2 H 0.900 0.03 2
228 26 26 ARG HG3 H 1.286 0.03 2
229 26 26 ARG HD2 H 3.178 0.03 2
230 26 26 ARG HE H 7.596 0.03 1
231 26 26 ARG C C 174.259 0.3 1
232 26 26 ARG CA C 55.380 0.3 1
233 26 26 ARG CB C 32.070 0.3 1
234 26 26 ARG CG C 27.790 0.3 1
235 26 26 ARG CD C 43.510 0.3 1
236 26 26 ARG N N 128.280 0.3 1
237 26 26 ARG NE N 129.956 0.3 1
238 27 27 VAL H H 9.230 0.03 1
239 27 27 VAL HA H 4.870 0.03 1
240 27 27 VAL HB H 1.819 0.03 1
241 27 27 VAL HG2 H 0.916 0.03 2
242 27 27 VAL C C 173.645 0.3 1
243 27 27 VAL CA C 60.010 0.3 1
244 27 27 VAL CB C 34.210 0.3 1
245 27 27 VAL CG2 C 22.010 0.3 1
246 27 27 VAL N N 127.650 0.3 1
247 28 28 HIS H H 8.852 0.03 1
248 28 28 HIS HA H 5.095 0.03 1
249 28 28 HIS HB2 H 3.041 0.03 2
250 28 28 HIS HB3 H 3.170 0.03 2
251 28 28 HIS HD2 H 6.740 0.03 1
252 28 28 HIS C C 175.560 0.3 1
253 28 28 HIS CA C 54.740 0.3 1
254 28 28 HIS CB C 33.120 0.3 1
255 28 28 HIS CD2 C 119.650 0.3 1
256 28 28 HIS N N 123.760 0.3 1
257 29 29 SER H H 8.682 0.03 1
258 29 29 SER HA H 4.550 0.03 1
259 29 29 SER HB2 H 3.820 0.03 2
260 29 29 SER HB3 H 4.090 0.03 2
261 29 29 SER C C 173.375 0.3 1
262 29 29 SER CA C 58.400 0.3 1
263 29 29 SER CB C 64.200 0.3 1
264 29 29 SER N N 116.650 0.3 1
265 30 30 ALA H H 8.340 0.03 1
266 30 30 ALA HA H 4.766 0.03 1
267 30 30 ALA HB H 1.410 0.03 1
268 30 30 ALA C C 175.665 0.3 1
269 30 30 ALA CA C 50.740 0.3 1
270 30 30 ALA CB C 18.680 0.3 1
271 30 30 ALA N N 126.960 0.3 1
272 31 31 PRO HA H 4.430 0.03 1
273 31 31 PRO HB2 H 1.937 0.03 2
274 31 31 PRO HB3 H 2.279 0.03 2
275 31 31 PRO HG2 H 2.020 0.03 2
276 31 31 PRO HG3 H 2.080 0.03 2
277 31 31 PRO HD2 H 3.725 0.03 2
278 31 31 PRO HD3 H 3.906 0.03 2
279 31 31 PRO C C 176.592 0.3 1
280 31 31 PRO CA C 63.370 0.3 1
281 31 31 PRO CB C 32.200 0.3 1
282 31 31 PRO CG C 27.640 0.3 1
283 31 31 PRO CD C 50.770 0.3 1
284 32 32 ARG H H 8.300 0.03 1
285 32 32 ARG HA H 4.554 0.03 1
286 32 32 ARG HB2 H 1.760 0.03 2
287 32 32 ARG HB3 H 1.925 0.03 2
288 32 32 ARG HG2 H 1.655 0.03 2
289 32 32 ARG HD2 H 3.210 0.03 2
290 32 32 ARG C C 176.452 0.3 1
291 32 32 ARG CA C 55.120 0.3 1
292 32 32 ARG CB C 32.180 0.3 1
293 32 32 ARG CG C 26.990 0.3 1
294 32 32 ARG CD C 43.500 0.3 1
295 32 32 ARG N N 122.010 0.3 1
296 33 33 SER H H 9.178 0.03 1
297 33 33 SER HA H 4.331 0.03 1
298 33 33 SER HB2 H 4.003 0.03 2
299 33 33 SER HB3 H 4.071 0.03 2
300 33 33 SER C C 175.665 0.3 1
301 33 33 SER CA C 59.020 0.3 1
302 33 33 SER CB C 64.980 0.3 1
303 33 33 SER N N 119.570 0.3 1
304 34 34 GLY H H 8.699 0.03 1
305 34 34 GLY HA2 H 3.838 0.03 2
306 34 34 GLY HA3 H 4.067 0.03 2
307 34 34 GLY C C 173.506 0.3 1
308 34 34 GLY CA C 45.470 0.3 1
309 34 34 GLY N N 112.170 0.3 1
310 35 35 ALA H H 7.844 0.03 1
311 35 35 ALA HA H 4.711 0.03 1
312 35 35 ALA HB H 1.385 0.03 1
313 35 35 ALA C C 175.403 0.3 1
314 35 35 ALA CA C 50.400 0.3 1
315 35 35 ALA CB C 18.840 0.3 1
316 35 35 ALA N N 124.780 0.3 1
317 36 36 PRO HA H 4.420 0.03 1
318 36 36 PRO HB2 H 1.940 0.03 2
319 36 36 PRO HB3 H 2.290 0.03 2
320 36 36 PRO HG2 H 2.085 0.03 2
321 36 36 PRO HG3 H 2.021 0.03 2
322 36 36 PRO HD2 H 3.906 0.03 2
323 36 36 PRO HD3 H 3.725 0.03 2
324 36 36 PRO C C 176.598 0.3 1
325 36 36 PRO CA C 63.570 0.3 1
326 36 36 PRO CB C 32.030 0.3 1
327 36 36 PRO CG C 27.500 0.3 1
328 36 36 PRO CD C 50.520 0.3 1
329 37 37 ALA H H 8.090 0.03 1
330 37 37 ALA HA H 4.360 0.03 1
331 37 37 ALA HB H 1.400 0.03 1
332 37 37 ALA C C 176.959 0.3 1
333 37 37 ALA CA C 52.050 0.3 1
334 37 37 ALA CB C 19.790 0.3 1
335 37 37 ALA N N 123.040 0.3 1
336 38 38 ALA H H 8.282 0.03 1
337 38 38 ALA HA H 4.345 0.03 1
338 38 38 ALA HB H 1.446 0.03 1
339 38 38 ALA C C 177.379 0.3 1
340 38 38 ALA CA C 52.420 0.3 1
341 38 38 ALA CB C 19.780 0.3 1
342 38 38 ALA N N 124.340 0.3 1
343 39 39 GLU H H 8.238 0.03 1
344 39 39 GLU HA H 4.544 0.03 1
345 39 39 GLU HB2 H 1.946 0.03 2
346 39 39 GLU HB3 H 2.072 0.03 2
347 39 39 GLU HG2 H 2.270 0.03 2
348 39 39 GLU HG3 H 2.300 0.03 2
349 39 39 GLU C C 175.105 0.3 1
350 39 39 GLU CA C 56.170 0.3 1
351 39 39 GLU CB C 32.000 0.3 1
352 39 39 GLU CG C 36.540 0.3 1
353 39 39 GLU N N 121.170 0.3 1
354 40 40 SER H H 8.282 0.03 1
355 40 40 SER HA H 5.397 0.03 1
356 40 40 SER HB2 H 3.300 0.03 2
357 40 40 SER HB3 H 3.620 0.03 2
358 40 40 SER C C 173.313 0.3 1
359 40 40 SER CA C 57.170 0.3 1
360 40 40 SER CB C 66.690 0.3 1
361 40 40 SER N N 115.940 0.3 1
362 41 41 LYS H H 8.583 0.03 1
363 41 41 LYS HA H 4.659 0.03 1
364 41 41 LYS HB2 H 1.858 0.03 2
365 41 41 LYS HB3 H 1.914 0.03 2
366 41 41 LYS HG2 H 0.930 0.03 2
367 41 41 LYS HG3 H 1.170 0.03 2
368 41 41 LYS HD2 H 1.540 0.03 2
369 41 41 LYS HD3 H 1.630 0.03 2
370 41 41 LYS HE2 H 2.792 0.03 2
371 41 41 LYS HE3 H 2.614 0.03 2
372 41 41 LYS C C 173.344 0.3 1
373 41 41 LYS CA C 55.630 0.3 1
374 41 41 LYS CB C 35.540 0.3 1
375 41 41 LYS CG C 23.520 0.3 1
376 41 41 LYS CD C 30.510 0.3 1
377 41 41 LYS CE C 42.260 0.3 1
378 41 41 LYS N N 117.340 0.3 1
379 42 42 GLU H H 8.163 0.03 1
380 42 42 GLU HA H 5.440 0.03 1
381 42 42 GLU HB2 H 1.588 0.03 2
382 42 42 GLU HB3 H 1.942 0.03 2
383 42 42 GLU HG2 H 1.917 0.03 2
384 42 42 GLU HG3 H 2.130 0.03 2
385 42 42 GLU C C 175.951 0.3 1
386 42 42 GLU CA C 55.800 0.3 1
387 42 42 GLU CB C 30.180 0.3 1
388 42 42 GLU CG C 37.760 0.3 1
389 42 42 GLU N N 120.480 0.3 1
390 43 43 ILE H H 9.504 0.03 1
391 43 43 ILE HA H 5.340 0.03 1
392 43 43 ILE HB H 1.978 0.03 1
393 43 43 ILE HG12 H 1.182 0.03 2
394 43 43 ILE HG13 H 1.293 0.03 2
395 43 43 ILE HG2 H 0.820 0.03 1
396 43 43 ILE HD1 H 0.580 0.03 1
397 43 43 ILE C C 174.076 0.3 1
398 43 43 ILE CA C 58.910 0.3 1
399 43 43 ILE CB C 41.070 0.3 1
400 43 43 ILE CG1 C 26.260 0.3 1
401 43 43 ILE CG2 C 18.770 0.3 1
402 43 43 ILE CD1 C 13.020 0.3 1
403 43 43 ILE N N 114.140 0.3 1
404 44 44 VAL H H 8.944 0.03 1
405 44 44 VAL HA H 4.764 0.03 1
406 44 44 VAL HB H 1.948 0.03 1
407 44 44 VAL HG1 H 0.700 0.03 2
408 44 44 VAL HG2 H 0.980 0.03 2
409 44 44 VAL C C 178.166 0.3 1
410 44 44 VAL CA C 61.540 0.3 1
411 44 44 VAL CB C 34.950 0.3 1
412 44 44 VAL CG1 C 21.200 0.3 1
413 44 44 VAL CG2 C 21.600 0.3 1
414 44 44 VAL N N 121.250 0.3 1
415 45 45 ARG H H 8.649 0.03 1
416 45 45 ARG HA H 5.386 0.03 1
417 45 45 ARG HB2 H 1.745 0.03 2
418 45 45 ARG HB3 H 1.565 0.03 2
419 45 45 ARG HG2 H 1.630 0.03 2
420 45 45 ARG HG3 H 1.369 0.03 2
421 45 45 ARG HD2 H 3.771 0.03 2
422 45 45 ARG HD3 H 3.895 0.03 2
423 45 45 ARG HE H 6.140 0.03 1
424 45 45 ARG C C 174.878 0.3 1
425 45 45 ARG CA C 52.570 0.3 1
426 45 45 ARG CB C 34.820 0.3 1
427 45 45 ARG CG C 26.520 0.3 1
428 45 45 ARG CD C 44.020 0.3 1
429 45 45 ARG N N 129.840 0.3 1
430 45 45 ARG NE N 115.070 0.3 1
431 46 46 GLY H H 7.159 0.03 1
432 46 46 GLY HA2 H 3.730 0.03 2
433 46 46 GLY HA3 H 4.547 0.03 2
434 46 46 GLY C C 178.859 0.3 1
435 46 46 GLY CA C 49.180 0.3 1
436 46 46 GLY N N 111.210 0.3 1
437 47 47 TYR H H 6.407 0.03 1
438 47 47 TYR HA H 5.645 0.03 1
439 47 47 TYR HD1 H 6.700 0.03 3
440 47 47 TYR HE1 H 6.510 0.03 3
441 47 47 TYR C C 176.592 0.3 1
442 47 47 TYR CA C 54.700 0.3 1
443 47 47 TYR CB C 43.650 0.3 1
444 47 47 TYR CD1 C 134.670 0.3 3
445 47 47 TYR CE1 C 116.450 0.3 3
446 47 47 TYR N N 117.300 0.3 1
447 48 48 LYS H H 10.173 0.03 1
448 48 48 LYS HA H 4.505 0.03 1
449 48 48 LYS CA C 59.280 0.3 1
450 48 48 LYS CB C 32.950 0.3 1
451 48 48 LYS N N 125.600 0.3 1
452 49 49 TRP HA H 4.453 0.03 1
453 49 49 TRP HB2 H 3.229 0.03 2
454 49 49 TRP HB3 H 3.605 0.03 2
455 49 49 TRP HD1 H 7.510 0.03 1
456 49 49 TRP HE1 H 9.544 0.03 1
457 49 49 TRP HE3 H 7.388 0.03 1
458 49 49 TRP HZ2 H 6.860 0.03 1
459 49 49 TRP HZ3 H 6.952 0.03 1
460 49 49 TRP HH2 H 7.040 0.03 1
461 49 49 TRP C C 176.460 0.3 1
462 49 49 TRP CA C 56.440 0.3 1
463 49 49 TRP CB C 28.740 0.3 1
464 49 49 TRP CD1 C 130.100 0.3 1
465 49 49 TRP CE3 C 121.630 0.3 1
466 49 49 TRP CZ2 C 115.000 0.3 1
467 49 49 TRP CZ3 C 121.610 0.3 1
468 49 49 TRP CH2 C 123.700 0.3 1
469 49 49 TRP NE1 N 109.450 0.3 1
470 50 50 ALA H H 6.222 0.03 1
471 50 50 ALA HA H 4.430 0.03 1
472 50 50 ALA HB H 0.914 0.03 1
473 50 50 ALA C C 176.301 0.3 1
474 50 50 ALA CA C 52.520 0.3 1
475 50 50 ALA CB C 19.500 0.3 1
476 50 50 ALA N N 123.230 0.3 1
477 51 51 GLU H H 9.052 0.03 1
478 51 51 GLU HA H 4.116 0.03 1
479 51 51 GLU HB2 H 1.915 0.03 2
480 51 51 GLU HB3 H 2.112 0.03 2
481 51 51 GLU HG2 H 2.115 0.03 2
482 51 51 GLU HG3 H 1.916 0.03 2
483 51 51 GLU C C 176.745 0.3 1
484 51 51 GLU CA C 58.180 0.3 1
485 51 51 GLU CB C 30.620 0.3 1
486 51 51 GLU CG C 36.270 0.3 1
487 51 51 GLU N N 128.130 0.3 1
488 52 52 TYR H H 8.454 0.03 1
489 52 52 TYR HA H 4.570 0.03 1
490 52 52 TYR HB2 H 3.924 0.03 2
491 52 52 TYR HB3 H 2.741 0.03 2
492 52 52 TYR HD1 H 7.643 0.03 3
493 52 52 TYR HE1 H 6.939 0.03 3
494 52 52 TYR C C 176.924 0.3 1
495 52 52 TYR CA C 57.120 0.3 1
496 52 52 TYR CB C 39.780 0.3 1
497 52 52 TYR CD1 C 134.424 0.3 3
498 52 52 TYR CE1 C 118.350 0.3 3
499 52 52 TYR N N 117.410 0.3 1
500 53 53 HIS H H 8.912 0.03 1
501 53 53 HIS HA H 3.856 0.03 1
502 53 53 HIS HB2 H 3.020 0.03 2
503 53 53 HIS HB3 H 3.483 0.03 2
504 53 53 HIS C C 179.163 0.3 1
505 53 53 HIS CA C 64.490 0.3 1
506 53 53 HIS CB C 29.760 0.3 1
507 53 53 HIS N N 124.670 0.3 1
508 54 54 ALA H H 10.275 0.03 1
509 54 54 ALA HA H 4.825 0.03 1
510 54 54 ALA HB H 1.543 0.03 1
511 54 54 ALA C C 178.471 0.3 1
512 54 54 ALA CA C 55.130 0.3 1
513 54 54 ALA CB C 18.800 0.3 1
514 54 54 ALA N N 123.740 0.3 1
515 55 55 ASP H H 7.353 0.03 1
516 55 55 ASP HA H 4.669 0.03 1
517 55 55 ASP HB2 H 3.167 0.03 2
518 55 55 ASP HB3 H 3.293 0.03 2
519 55 55 ASP C C 179.880 0.3 1
520 55 55 ASP CA C 57.750 0.3 1
521 55 55 ASP CB C 41.440 0.3 1
522 55 55 ASP N N 116.220 0.3 1
523 56 56 ILE H H 7.330 0.03 1
524 56 56 ILE HA H 3.933 0.03 1
525 56 56 ILE HB H 2.040 0.03 1
526 56 56 ILE HG12 H 0.410 0.03 2
527 56 56 ILE HG13 H 1.655 0.03 2
528 56 56 ILE HG2 H 0.959 0.03 1
529 56 56 ILE HD1 H 0.854 0.03 1
530 56 56 ILE C C 177.449 0.3 1
531 56 56 ILE CA C 65.030 0.3 1
532 56 56 ILE CB C 38.830 0.3 1
533 56 56 ILE CG1 C 29.000 0.3 1
534 56 56 ILE CG2 C 19.270 0.3 1
535 56 56 ILE CD1 C 15.100 0.3 1
536 56 56 ILE N N 116.980 0.3 1
537 57 57 TYR H H 8.035 0.03 1
538 57 57 TYR HA H 3.872 0.03 1
539 57 57 TYR HB2 H 2.822 0.03 2
540 57 57 TYR HB3 H 3.233 0.03 2
541 57 57 TYR HD1 H 6.980 0.03 3
542 57 57 TYR HE1 H 6.580 0.03 3
543 57 57 TYR C C 177.699 0.3 1
544 57 57 TYR CA C 63.330 0.3 1
545 57 57 TYR CB C 38.570 0.3 1
546 57 57 TYR CD1 C 132.460 0.3 3
547 57 57 TYR CE1 C 117.856 0.3 3
548 57 57 TYR N N 119.120 0.3 1
549 58 58 ASP H H 9.456 0.03 1
550 58 58 ASP HA H 4.182 0.03 1
551 58 58 ASP HB2 H 2.665 0.03 2
552 58 58 ASP HB3 H 2.912 0.03 2
553 58 58 ASP C C 178.930 0.3 1
554 58 58 ASP CA C 58.180 0.3 1
555 58 58 ASP CB C 40.240 0.3 1
556 58 58 ASP N N 121.120 0.3 1
557 59 59 LYS H H 6.974 0.03 1
558 59 59 LYS HA H 4.170 0.03 1
559 59 59 LYS HB2 H 2.259 0.03 2
560 59 59 LYS HG2 H 1.533 0.03 2
561 59 59 LYS HD2 H 1.650 0.03 2
562 59 59 LYS HE2 H 2.842 0.03 2
563 59 59 LYS C C 178.481 0.3 1
564 59 59 LYS CA C 59.290 0.3 1
565 59 59 LYS CB C 33.050 0.3 1
566 59 59 LYS CG C 25.030 0.3 1
567 59 59 LYS CD C 29.240 0.3 1
568 59 59 LYS CE C 42.260 0.3 1
569 59 59 LYS N N 120.750 0.3 1
570 60 60 VAL H H 8.505 0.03 1
571 60 60 VAL HA H 3.872 0.03 1
572 60 60 VAL HB H 1.884 0.03 1
573 60 60 VAL HG1 H 0.966 0.03 2
574 60 60 VAL HG2 H 1.216 0.03 2
575 60 60 VAL C C 178.334 0.3 1
576 60 60 VAL CA C 65.960 0.3 1
577 60 60 VAL CB C 32.130 0.3 1
578 60 60 VAL CG1 C 21.800 0.3 1
579 60 60 VAL CG2 C 22.250 0.3 1
580 60 60 VAL N N 119.110 0.3 1
581 61 61 SER H H 8.827 0.03 1
582 61 61 SER HA H 4.191 0.03 1
583 61 61 SER HB2 H 3.252 0.03 2
584 61 61 SER HB3 H 3.450 0.03 2
585 61 61 SER C C 178.166 0.3 1
586 61 61 SER CA C 61.910 0.3 1
587 61 61 SER CB C 62.330 0.3 1
588 61 61 SER N N 115.220 0.3 1
589 62 62 GLY H H 7.622 0.03 1
590 62 62 GLY HA2 H 3.917 0.03 2
591 62 62 GLY HA3 H 4.014 0.03 2
592 62 62 GLY C C 176.609 0.3 1
593 62 62 GLY CA C 47.410 0.3 1
594 62 62 GLY N N 111.040 0.3 1
595 63 63 ASP H H 7.910 0.03 1
596 63 63 ASP HA H 4.450 0.03 1
597 63 63 ASP HB2 H 2.635 0.03 2
598 63 63 ASP HB3 H 2.932 0.03 2
599 63 63 ASP C C 179.828 0.3 1
600 63 63 ASP CA C 57.540 0.3 1
601 63 63 ASP CB C 40.150 0.3 1
602 63 63 ASP N N 123.860 0.3 1
603 64 64 MET H H 8.692 0.03 1
604 64 64 MET HA H 4.356 0.03 1
605 64 64 MET HB2 H 1.633 0.03 2
606 64 64 MET HB3 H 2.164 0.03 2
607 64 64 MET HG2 H 2.529 0.03 2
608 64 64 MET HG3 H 2.667 0.03 2
609 64 64 MET HE H 1.951 0.03 1
610 64 64 MET C C 179.740 0.3 1
611 64 64 MET CA C 57.100 0.3 1
612 64 64 MET CB C 32.250 0.3 1
613 64 64 MET CG C 33.270 0.3 1
614 64 64 MET CE C 19.570 0.3 1
615 64 64 MET N N 119.600 0.3 1
616 65 65 GLN H H 8.513 0.03 1
617 65 65 GLN HA H 4.357 0.03 1
618 65 65 GLN HB2 H 2.271 0.03 2
619 65 65 GLN HB3 H 2.335 0.03 2
620 65 65 GLN HG2 H 2.539 0.03 2
621 65 65 GLN HG3 H 2.630 0.03 2
622 65 65 GLN HE21 H 7.440 0.03 2
623 65 65 GLN HE22 H 6.880 0.03 2
624 65 65 GLN C C 180.545 0.3 1
625 65 65 GLN CA C 59.160 0.3 1
626 65 65 GLN CB C 28.120 0.3 1
627 65 65 GLN CG C 34.510 0.3 1
628 65 65 GLN N N 123.060 0.3 1
629 65 65 GLN NE2 N 111.980 0.3 1
630 66 66 LYS H H 7.481 0.03 1
631 66 66 LYS HA H 4.168 0.03 1
632 66 66 LYS HB2 H 2.039 0.03 2
633 66 66 LYS HG2 H 1.578 0.03 2
634 66 66 LYS HG3 H 1.750 0.03 2
635 66 66 LYS HD2 H 1.757 0.03 2
636 66 66 LYS HE2 H 3.031 0.03 2
637 66 66 LYS C C 177.536 0.3 1
638 66 66 LYS CA C 59.200 0.3 1
639 66 66 LYS CB C 32.330 0.3 1
640 66 66 LYS CG C 25.530 0.3 1
641 66 66 LYS CD C 29.520 0.3 1
642 66 66 LYS CE C 42.510 0.3 1
643 66 66 LYS N N 119.640 0.3 1
644 67 67 GLN H H 7.339 0.03 1
645 67 67 GLN HA H 4.577 0.03 1
646 67 67 GLN HB2 H 2.100 0.03 2
647 67 67 GLN HB3 H 2.416 0.03 2
648 67 67 GLN HG2 H 2.416 0.03 2
649 67 67 GLN HE21 H 6.628 0.03 2
650 67 67 GLN HE22 H 7.174 0.03 2
651 67 67 GLN C C 175.508 0.3 1
652 67 67 GLN CA C 54.860 0.3 1
653 67 67 GLN CB C 29.620 0.3 1
654 67 67 GLN CG C 34.260 0.3 1
655 67 67 GLN N N 115.770 0.3 1
656 67 67 GLN NE2 N 111.030 0.3 1
657 68 68 GLY H H 7.770 0.03 1
658 68 68 GLY HA2 H 3.855 0.03 2
659 68 68 GLY HA3 H 4.199 0.03 2
660 68 68 GLY C C 174.405 0.3 1
661 68 68 GLY CA C 46.050 0.3 1
662 68 68 GLY N N 130.090 0.3 1
663 69 69 CYS H H 7.698 0.03 1
664 69 69 CYS HA H 4.826 0.03 1
665 69 69 CYS HB2 H 2.415 0.03 2
666 69 69 CYS HB3 H 2.789 0.03 2
667 69 69 CYS C C 173.453 0.3 1
668 69 69 CYS CA C 58.540 0.3 1
669 69 69 CYS CB C 30.410 0.3 1
670 69 69 CYS N N 117.840 0.3 1
671 70 70 ASP H H 8.357 0.03 1
672 70 70 ASP HA H 4.951 0.03 1
673 70 70 ASP HB2 H 2.448 0.03 2
674 70 70 ASP HB3 H 2.633 0.03 2
675 70 70 ASP C C 175.613 0.3 1
676 70 70 ASP CA C 53.540 0.3 1
677 70 70 ASP CB C 43.780 0.3 1
678 70 70 ASP N N 122.910 0.3 1
679 71 71 CYS H H 8.512 0.03 1
680 71 71 CYS HA H 5.827 0.03 1
681 71 71 CYS HB2 H 2.729 0.03 2
682 71 71 CYS HB3 H 2.885 0.03 2
683 71 71 CYS C C 173.331 0.3 1
684 71 71 CYS CA C 57.970 0.3 1
685 71 71 CYS CB C 32.730 0.3 1
686 71 71 CYS N N 117.060 0.3 1
687 72 72 GLU H H 8.900 0.03 1
688 72 72 GLU HA H 4.764 0.03 1
689 72 72 GLU HB2 H 1.950 0.03 2
690 72 72 GLU HB3 H 2.071 0.03 2
691 72 72 GLU HG2 H 2.200 0.03 2
692 72 72 GLU HG3 H 2.230 0.03 2
693 72 72 GLU C C 174.878 0.3 1
694 72 72 GLU CA C 55.310 0.3 1
695 72 72 GLU CB C 33.990 0.3 1
696 72 72 GLU CG C 36.770 0.3 1
697 72 72 GLU N N 119.360 0.3 1
698 73 73 CYS H H 9.207 0.03 1
699 73 73 CYS HA H 4.107 0.03 1
700 73 73 CYS HB2 H 1.164 0.03 2
701 73 73 CYS HB3 H 2.072 0.03 2
702 73 73 CYS C C 174.738 0.3 1
703 73 73 CYS CA C 58.720 0.3 1
704 73 73 CYS CB C 26.780 0.3 1
705 73 73 CYS N N 126.110 0.3 1
706 74 74 LEU H H 9.075 0.03 1
707 74 74 LEU HA H 4.576 0.03 1
708 74 74 LEU HB2 H 1.351 0.03 2
709 74 74 LEU HB3 H 1.697 0.03 2
710 74 74 LEU HG H 1.507 0.03 1
711 74 74 LEU HD1 H 0.801 0.03 2
712 74 74 LEU HD2 H 0.698 0.03 2
713 74 74 LEU C C 176.139 0.3 1
714 74 74 LEU CA C 54.120 0.3 1
715 74 74 LEU CB C 40.860 0.3 1
716 74 74 LEU CG C 26.760 0.3 1
717 74 74 LEU CD1 C 25.780 0.3 1
718 74 74 LEU CD2 C 21.760 0.3 1
719 74 74 LEU N N 129.300 0.3 1
720 75 75 GLY H H 7.509 0.03 1
721 75 75 GLY HA2 H 3.355 0.03 2
722 75 75 GLY HA3 H 4.081 0.03 2
723 75 75 GLY C C 181.839 0.3 1
724 75 75 GLY CA C 43.080 0.3 1
725 75 75 GLY N N 129.140 0.3 1
726 76 76 GLY H H 8.070 0.03 1
727 76 76 GLY HA2 H 3.401 0.03 2
728 76 76 GLY HA3 H 4.285 0.03 2
729 76 76 GLY C C 181.926 0.3 1
730 76 76 GLY CA C 44.810 0.3 1
731 76 76 GLY N N 125.860 0.3 1
732 77 77 GLY H H 7.656 0.03 1
733 77 77 GLY HA2 H 3.924 0.03 2
734 77 77 GLY HA3 H 4.167 0.03 2
735 77 77 GLY C C 172.076 0.3 1
736 77 77 GLY CA C 46.210 0.3 1
737 77 77 GLY N N 128.230 0.3 1
738 78 78 ARG H H 9.958 0.03 1
739 78 78 ARG HA H 4.763 0.03 1
740 78 78 ARG HB2 H 0.378 0.03 2
741 78 78 ARG HB3 H 0.808 0.03 2
742 78 78 ARG HG2 H 1.239 0.03 2
743 78 78 ARG HD2 H 2.860 0.03 2
744 78 78 ARG HD3 H 2.551 0.03 2
745 78 78 ARG C C 182.094 0.3 1
746 78 78 ARG CA C 53.790 0.3 1
747 78 78 ARG CB C 33.480 0.3 1
748 78 78 ARG CG C 27.510 0.3 1
749 78 78 ARG CD C 43.010 0.3 1
750 78 78 ARG N N 110.000 0.3 1
751 79 79 ILE H H 8.696 0.03 1
752 79 79 ILE HA H 4.510 0.03 1
753 79 79 ILE HB H 0.607 0.03 1
754 79 79 ILE HG12 H 0.320 0.03 2
755 79 79 ILE HG13 H 1.097 0.03 2
756 79 79 ILE HG2 H 0.312 0.03 1
757 79 79 ILE HD1 H 0.081 0.03 1
758 79 79 ILE C C 174.248 0.3 1
759 79 79 ILE CA C 59.440 0.3 1
760 79 79 ILE CB C 41.280 0.3 1
761 79 79 ILE CG1 C 28.810 0.3 1
762 79 79 ILE CG2 C 17.870 0.3 1
763 79 79 ILE CD1 C 13.640 0.3 1
764 79 79 ILE N N 122.130 0.3 1
765 80 80 SER H H 8.948 0.03 1
766 80 80 SER HA H 4.788 0.03 1
767 80 80 SER HB2 H 3.896 0.03 2
768 80 80 SER HB3 H 4.010 0.03 2
769 80 80 SER C C 173.645 0.3 1
770 80 80 SER CA C 55.450 0.3 1
771 80 80 SER CB C 63.980 0.3 1
772 80 80 SER N N 118.550 0.3 1
773 81 81 HIS HD2 H 6.477 0.03 1
774 82 82 GLN HE21 H 6.786 0.03 2
775 82 82 GLN HE22 H 7.389 0.03 2
776 82 82 GLN CA C 54.480 0.3 1
777 82 82 GLN CB C 27.630 0.3 1
778 82 82 GLN CG C 33.400 0.3 1
779 82 82 GLN NE2 N 111.820 0.3 1
780 83 83 SER HA H 4.276 0.03 1
781 83 83 SER HB2 H 3.886 0.03 2
782 83 83 SER C C 177.990 0.3 1
783 83 83 SER CA C 59.340 0.3 1
784 83 83 SER CB C 63.160 0.3 1
785 84 84 GLN H H 8.920 0.03 1
786 84 84 GLN HA H 4.113 0.03 1
787 84 84 GLN HB2 H 2.070 0.03 2
788 84 84 GLN HB3 H 2.100 0.03 2
789 84 84 GLN HG2 H 2.403 0.03 2
790 84 84 GLN HE21 H 6.883 0.03 2
791 84 84 GLN HE22 H 7.593 0.03 2
792 84 84 GLN C C 176.910 0.3 1
793 84 84 GLN CA C 58.830 0.3 1
794 84 84 GLN CB C 28.000 0.3 1
795 84 84 GLN CG C 33.880 0.3 1
796 84 84 GLN N N 123.920 0.3 1
797 84 84 GLN NE2 N 113.420 0.3 1
798 85 85 ASP HA H 4.139 0.03 1
799 85 85 ASP HB2 H 2.861 0.03 2
800 85 85 ASP HB3 H 3.123 0.03 2
801 85 85 ASP CA C 54.850 0.3 1
802 85 85 ASP CB C 31.980 0.3 1
803 86 86 LYS HA H 5.378 0.03 1
804 86 86 LYS HB2 H 1.483 0.03 2
805 86 86 LYS HB3 H 1.763 0.03 2
806 86 86 LYS HG2 H 1.286 0.03 2
807 86 86 LYS HG3 H 1.395 0.03 2
808 86 86 LYS HD2 H 1.601 0.03 2
809 86 86 LYS HD3 H 1.553 0.03 2
810 86 86 LYS HE2 H 2.900 0.03 2
811 86 86 LYS CA C 55.050 0.3 1
812 86 86 LYS CB C 37.310 0.3 1
813 86 86 LYS CG C 25.180 0.3 1
814 86 86 LYS CD C 29.640 0.3 1
815 86 86 LYS CE C 42.371 0.3 1
816 89 89 HIS HA H 5.733 0.03 1
817 89 89 HIS HB2 H 2.778 0.03 2
818 89 89 HIS HB3 H 2.920 0.03 2
819 89 89 HIS HE1 H 7.289 0.03 1
820 89 89 HIS C C 173.471 0.3 1
821 89 89 HIS CA C 54.370 0.3 1
822 89 89 HIS CB C 34.760 0.3 1
823 89 89 HIS CE1 C 137.600 0.3 1
824 90 90 VAL H H 8.410 0.03 1
825 90 90 VAL HA H 4.419 0.03 1
826 90 90 VAL HB H 1.905 0.03 1
827 90 90 VAL HG1 H 0.512 0.03 2
828 90 90 VAL HG2 H 0.630 0.03 2
829 90 90 VAL C C 173.630 0.3 1
830 90 90 VAL CA C 61.520 0.3 1
831 90 90 VAL CB C 33.200 0.3 1
832 90 90 VAL CG1 C 21.760 0.3 1
833 90 90 VAL CG2 C 22.770 0.3 1
834 90 90 VAL N N 129.930 0.3 1
835 91 91 TYR H H 8.758 0.03 1
836 91 91 TYR HA H 5.670 0.03 1
837 91 91 TYR HB2 H 2.664 0.03 2
838 91 91 TYR HB3 H 3.210 0.03 2
839 91 91 TYR HD1 H 6.836 0.03 3
840 91 91 TYR HE1 H 6.451 0.03 3
841 91 91 TYR C C 176.295 0.3 1
842 91 91 TYR CA C 56.040 0.3 1
843 91 91 TYR CB C 37.700 0.3 1
844 91 91 TYR CD1 C 135.040 0.3 3
845 91 91 TYR CE1 C 117.150 0.3 3
846 91 91 TYR N N 123.010 0.3 1
847 92 92 GLY H H 7.988 0.03 1
848 92 92 GLY HA2 H 4.080 0.03 2
849 92 92 GLY HA3 H 4.293 0.03 2
850 92 92 GLY C C 174.633 0.3 1
851 92 92 GLY CA C 46.050 0.3 1
852 92 92 GLY N N 127.430 0.3 1
853 93 93 TYR H H 8.077 0.03 1
854 93 93 TYR HA H 5.370 0.03 1
855 93 93 TYR HB2 H 2.410 0.03 2
856 93 93 TYR HB3 H 3.475 0.03 2
857 93 93 TYR HD1 H 7.040 0.03 3
858 93 93 TYR HE1 H 6.836 0.03 3
859 93 93 TYR C C 182.049 0.3 1
860 93 93 TYR CA C 56.730 0.3 1
861 93 93 TYR CB C 39.960 0.3 1
862 93 93 TYR CD1 C 134.104 0.3 3
863 93 93 TYR CE1 C 118.450 0.3 3
864 93 93 TYR N N 114.750 0.3 1
865 94 94 SER H H 6.060 0.03 1
866 94 94 SER HA H 4.900 0.03 1
867 94 94 SER HB2 H 1.987 0.03 2
868 94 94 SER HB3 H 3.437 0.03 2
869 94 94 SER C C 179.295 0.3 1
870 94 94 SER CA C 55.110 0.3 1
871 94 94 SER CB C 63.780 0.3 1
872 94 94 SER N N 111.210 0.3 1
873 95 95 MET C C 178.614 0.3 1
874 95 95 MET CA C 59.420 0.3 1
875 95 95 MET CB C 31.950 0.3 1
876 95 95 MET CG C 33.260 0.3 1
877 96 96 ALA H H 9.470 0.03 1
878 96 96 ALA HA H 3.980 0.03 1
879 96 96 ALA HB H 0.900 0.03 1
880 96 96 ALA C C 180.832 0.3 1
881 96 96 ALA CA C 55.010 0.3 1
882 96 96 ALA CB C 18.920 0.3 1
883 96 96 ALA N N 123.780 0.3 1
884 97 97 TYR H H 8.080 0.03 1
885 97 97 TYR HA H 4.700 0.03 1
886 97 97 TYR HB2 H 2.130 0.03 2
887 97 97 TYR HB3 H 3.131 0.03 2
888 97 97 TYR HD1 H 6.913 0.03 3
889 97 97 TYR HE1 H 6.460 0.03 3
890 97 97 TYR C C 176.435 0.3 1
891 97 97 TYR CA C 57.340 0.3 1
892 97 97 TYR CB C 40.870 0.3 1
893 97 97 TYR CD1 C 132.720 0.3 3
894 97 97 TYR CE1 C 117.170 0.3 3
895 97 97 TYR N N 112.340 0.3 1
896 98 98 GLY H H 7.989 0.03 1
897 98 98 GLY HA2 H 4.243 0.03 2
898 98 98 GLY HA3 H 4.519 0.03 2
899 98 98 GLY C C 172.106 0.3 1
900 98 98 GLY CA C 44.640 0.3 1
901 98 98 GLY N N 110.500 0.3 1
902 99 99 PRO HA H 5.044 0.03 1
903 99 99 PRO HB2 H 2.097 0.03 2
904 99 99 PRO HB3 H 2.499 0.03 2
905 99 99 PRO HG2 H 2.151 0.03 2
906 99 99 PRO HG3 H 2.292 0.03 2
907 99 99 PRO HD2 H 3.743 0.03 2
908 99 99 PRO HD3 H 3.839 0.03 2
909 99 99 PRO C C 177.204 0.3 1
910 99 99 PRO CA C 62.650 0.3 1
911 99 99 PRO CB C 31.420 0.3 1
912 99 99 PRO CG C 27.020 0.3 1
913 99 99 PRO CD C 49.510 0.3 1
914 100 100 ALA H H 7.355 0.03 1
915 100 100 ALA HA H 4.376 0.03 1
916 100 100 ALA HB H 0.758 0.03 1
917 100 100 ALA C C 175.962 0.3 1
918 100 100 ALA CA C 50.630 0.3 1
919 100 100 ALA CB C 19.240 0.3 1
920 100 100 ALA N N 126.310 0.3 1
921 101 101 GLN H H 7.836 0.03 1
922 101 101 GLN HA H 4.041 0.03 1
923 101 101 GLN HB2 H 1.789 0.03 2
924 101 101 GLN HB3 H 1.915 0.03 2
925 101 101 GLN HG2 H 2.210 0.03 2
926 101 101 GLN HG3 H 2.288 0.03 2
927 101 101 GLN HE21 H 6.753 0.03 2
928 101 101 GLN HE22 H 7.485 0.03 2
929 101 101 GLN C C 175.525 0.3 1
930 101 101 GLN CA C 54.550 0.3 1
931 101 101 GLN CB C 26.340 0.3 1
932 101 101 GLN CG C 33.850 0.3 1
933 101 101 GLN N N 119.720 0.3 1
934 101 101 GLN NE2 N 112.350 0.3 1
935 102 102 HIS H H 6.966 0.03 1
936 102 102 HIS HA H 4.066 0.03 1
937 102 102 HIS HB2 H 2.873 0.03 2
938 102 102 HIS HB3 H 2.622 0.03 2
939 102 102 HIS HD2 H 6.405 0.03 1
940 102 102 HIS HE1 H 7.588 0.03 1
941 102 102 HIS C C 176.539 0.3 1
942 102 102 HIS CA C 58.290 0.3 1
943 102 102 HIS CB C 31.270 0.3 1
944 102 102 HIS CD2 C 116.920 0.3 1
945 102 102 HIS CE1 C 139.510 0.3 1
946 102 102 HIS N N 125.680 0.3 1
947 103 103 ALA H H 8.252 0.03 1
948 103 103 ALA HA H 3.137 0.03 1
949 103 103 ALA HB H 0.914 0.03 1
950 103 103 ALA C C 180.842 0.3 1
951 103 103 ALA CA C 54.970 0.3 1
952 103 103 ALA CB C 18.190 0.3 1
953 103 103 ALA N N 122.380 0.3 1
954 104 104 ILE H H 7.394 0.03 1
955 104 104 ILE HA H 3.730 0.03 1
956 104 104 ILE HB H 1.944 0.03 1
957 104 104 ILE HG12 H 1.090 0.03 2
958 104 104 ILE HG13 H 1.467 0.03 2
959 104 104 ILE HG2 H 0.765 0.03 1
960 104 104 ILE HD1 H 0.763 0.03 1
961 104 104 ILE C C 178.428 0.3 1
962 104 104 ILE CA C 64.090 0.3 1
963 104 104 ILE CB C 37.150 0.3 1
964 104 104 ILE CG1 C 28.100 0.3 1
965 104 104 ILE CG2 C 17.020 0.3 1
966 104 104 ILE CD1 C 12.610 0.3 1
967 104 104 ILE N N 119.620 0.3 1
968 105 105 SER H H 7.093 0.03 1
969 105 105 SER HA H 3.784 0.03 1
970 105 105 SER HB2 H 3.467 0.03 2
971 105 105 SER HB3 H 3.942 0.03 2
972 105 105 SER C C 176.644 0.3 1
973 105 105 SER CA C 60.450 0.3 1
974 105 105 SER CB C 61.530 0.3 1
975 105 105 SER N N 114.830 0.3 1
976 106 106 THR H H 8.532 0.03 1
977 106 106 THR HA H 3.542 0.03 1
978 106 106 THR HB H 4.062 0.03 1
979 106 106 THR HG2 H 1.177 0.03 1
980 106 106 THR C C 175.560 0.3 1
981 106 106 THR CA C 67.290 0.3 1
982 106 106 THR CB C 68.350 0.3 1
983 106 106 THR CG2 C 22.530 0.3 1
984 106 106 THR N N 114.810 0.3 1
985 107 107 GLU H H 7.293 0.03 1
986 107 107 GLU HA H 3.980 0.03 1
987 107 107 GLU HB2 H 2.196 0.03 2
988 107 107 GLU HG2 H 2.317 0.03 2
989 107 107 GLU HG3 H 2.427 0.03 2
990 107 107 GLU C C 179.700 0.3 1
991 107 107 GLU CA C 59.910 0.3 1
992 107 107 GLU CB C 29.350 0.3 1
993 107 107 GLU CG C 36.100 0.3 1
994 107 107 GLU N N 122.930 0.3 1
995 108 108 LYS H H 7.347 0.03 1
996 108 108 LYS HA H 4.137 0.03 1
997 108 108 LYS HB2 H 1.646 0.03 2
998 108 108 LYS HB3 H 1.884 0.03 2
999 108 108 LYS HG2 H 1.651 0.03 2
1000 108 108 LYS HG3 H 1.382 0.03 2
1001 108 108 LYS HD2 H 1.467 0.03 2
1002 108 108 LYS HD3 H 1.633 0.03 2
1003 108 108 LYS HE2 H 2.859 0.03 2
1004 108 108 LYS HE3 H 3.022 0.03 2
1005 108 108 LYS C C 179.436 0.3 1
1006 108 108 LYS CA C 58.050 0.3 1
1007 108 108 LYS CB C 31.680 0.3 1
1008 108 108 LYS CG C 25.020 0.3 1
1009 108 108 LYS CD C 28.530 0.3 1
1010 108 108 LYS CE C 42.520 0.3 1
1011 108 108 LYS N N 116.980 0.3 1
1012 109 109 ILE H H 8.446 0.03 1
1013 109 109 ILE HA H 3.512 0.03 1
1014 109 109 ILE HB H 1.678 0.03 1
1015 109 109 ILE HG12 H 1.825 0.03 2
1016 109 109 ILE HG13 H 0.594 0.03 2
1017 109 109 ILE HG2 H 0.770 0.03 1
1018 109 109 ILE HD1 H 0.376 0.03 1
1019 109 109 ILE C C 177.431 0.3 1
1020 109 109 ILE CA C 66.460 0.3 1
1021 109 109 ILE CB C 38.550 0.3 1
1022 109 109 ILE CG1 C 30.970 0.3 1
1023 109 109 ILE CG2 C 20.260 0.3 1
1024 109 109 ILE CD1 C 67.530 0.3 1
1025 109 109 ILE N N 121.410 0.3 1
1026 110 110 LYS H H 8.841 0.03 1
1027 110 110 LYS HA H 3.910 0.03 1
1028 110 110 LYS HB2 H 1.800 0.03 2
1029 110 110 LYS HB3 H 1.947 0.03 2
1030 110 110 LYS HG2 H 1.551 0.03 2
1031 110 110 LYS HG3 H 1.634 0.03 2
1032 110 110 LYS HD2 H 1.664 0.03 2
1033 110 110 LYS HD3 H 1.910 0.03 2
1034 110 110 LYS HE2 H 3.048 0.03 2
1035 110 110 LYS HE3 H 3.135 0.03 2
1036 110 110 LYS C C 177.534 0.3 1
1037 110 110 LYS CA C 59.070 0.3 1
1038 110 110 LYS CB C 32.600 0.3 1
1039 110 110 LYS CG C 25.500 0.3 1
1040 110 110 LYS CD C 29.570 0.3 1
1041 110 110 LYS CE C 42.510 0.3 1
1042 110 110 LYS N N 120.900 0.3 1
1043 111 111 ALA H H 6.930 0.03 1
1044 111 111 ALA HA H 4.137 0.03 1
1045 111 111 ALA HB H 1.508 0.03 1
1046 111 111 ALA C C 178.953 0.3 1
1047 111 111 ALA CA C 54.130 0.3 1
1048 111 111 ALA CB C 17.940 0.3 1
1049 111 111 ALA N N 117.800 0.3 1
1050 112 112 LYS H H 7.128 0.03 1
1051 112 112 LYS HA H 4.106 0.03 1
1052 112 112 LYS HB2 H 1.621 0.03 2
1053 112 112 LYS HB3 H 1.727 0.03 2
1054 112 112 LYS HG2 H 0.681 0.03 2
1055 112 112 LYS HD2 H 1.681 0.03 2
1056 112 112 LYS HD3 H 1.411 0.03 2
1057 112 112 LYS HE2 H 2.833 0.03 2
1058 112 112 LYS HE3 H 2.930 0.03 2
1059 112 112 LYS C C 175.053 0.3 1
1060 112 112 LYS CA C 56.500 0.3 1
1061 112 112 LYS CB C 32.750 0.3 1
1062 112 112 LYS CG C 25.270 0.3 1
1063 112 112 LYS CD C 28.770 0.3 1
1064 112 112 LYS CE C 42.680 0.3 1
1065 112 112 LYS N N 118.310 0.3 1
1066 113 113 TYR H H 7.910 0.03 1
1067 113 113 TYR HA H 4.280 0.03 1
1068 113 113 TYR C C 173.645 0.3 1
1069 113 113 TYR CA C 54.680 0.3 1
1070 113 113 TYR CB C 36.870 0.3 1
1071 113 113 TYR N N 118.700 0.3 1
1072 114 114 PRO HA H 4.410 0.03 1
1073 114 114 PRO HB2 H 1.704 0.03 2
1074 114 114 PRO HB3 H 2.382 0.03 2
1075 114 114 PRO HG2 H 2.050 0.03 2
1076 114 114 PRO HD2 H 4.113 0.03 2
1077 114 114 PRO HD3 H 3.588 0.03 2
1078 114 114 PRO C C 177.222 0.3 1
1079 114 114 PRO CA C 63.200 0.3 1
1080 114 114 PRO CB C 32.160 0.3 1
1081 114 114 PRO CG C 27.630 0.3 1
1082 114 114 PRO CD C 51.110 0.3 1
1083 115 115 ASP H H 8.425 0.03 1
1084 115 115 ASP CA C 55.890 0.3 1
1085 115 115 ASP CB C 31.340 0.3 1
1086 115 115 ASP N N 122.060 0.3 1
1087 117 117 GLU HA H 4.670 0.03 1
1088 117 117 GLU HB2 H 2.020 0.03 2
1089 117 117 GLU HB3 H 2.115 0.03 2
1090 117 117 GLU HG2 H 2.200 0.03 2
1091 117 117 GLU HG3 H 2.313 0.03 2
1092 117 117 GLU C C 175.505 0.3 1
1093 117 117 GLU CA C 56.190 0.3 1
1094 117 117 GLU CB C 30.630 0.3 1
1095 117 117 GLU CG C 36.510 0.3 1
1096 118 118 VAL H H 8.775 0.03 1
1097 118 118 VAL HA H 5.514 0.03 1
1098 118 118 VAL HB H 2.025 0.03 1
1099 118 118 VAL HG1 H 0.854 0.03 2
1100 118 118 VAL HG2 H 0.902 0.03 2
1101 118 118 VAL C C 175.578 0.3 1
1102 118 118 VAL CA C 60.910 0.3 1
1103 118 118 VAL CB C 32.530 0.3 1
1104 118 118 VAL CG1 C 21.820 0.3 1
1105 118 118 VAL CG2 C 22.260 0.3 1
1106 118 118 VAL N N 130.380 0.3 1
1107 119 119 THR H H 9.178 0.03 1
1108 119 119 THR HA H 4.908 0.03 1
1109 119 119 THR HB H 4.544 0.03 1
1110 119 119 THR HG2 H 1.175 0.03 1
1111 119 119 THR C C 172.666 0.3 1
1112 119 119 THR CA C 59.710 0.3 1
1113 119 119 THR CB C 72.780 0.3 1
1114 119 119 THR CG2 C 22.020 0.3 1
1115 119 119 THR N N 119.570 0.3 1
1116 120 120 TRP H H 8.238 0.03 1
1117 120 120 TRP HA H 5.890 0.03 1
1118 120 120 TRP HB2 H 3.094 0.03 2
1119 120 120 TRP HB3 H 3.136 0.03 2
1120 120 120 TRP HD1 H 7.194 0.03 1
1121 120 120 TRP HE1 H 10.407 0.03 1
1122 120 120 TRP HE3 H 7.610 0.03 1
1123 120 120 TRP HZ2 H 7.555 0.03 1
1124 120 120 TRP HZ3 H 7.314 0.03 1
1125 120 120 TRP HH2 H 7.290 0.03 1
1126 120 120 TRP C C 175.333 0.3 1
1127 120 120 TRP CA C 54.990 0.3 1
1128 120 120 TRP CB C 32.900 0.3 1
1129 120 120 TRP CD1 C 127.608 0.3 1
1130 120 120 TRP CE3 C 120.400 0.3 1
1131 120 120 TRP CZ2 C 115.133 0.3 1
1132 120 120 TRP CZ3 C 120.600 0.3 1
1133 120 120 TRP CH2 C 124.210 0.3 1
1134 120 120 TRP N N 114.420 0.3 1
1135 120 120 TRP NE1 N 130.560 0.3 1
1136 121 121 ALA H H 8.890 0.03 1
1137 121 121 ALA HA H 4.324 0.03 1
1138 121 121 ALA HB H 1.602 0.03 1
1139 121 121 ALA C C 176.137 0.3 1
1140 121 121 ALA CA C 51.930 0.3 1
1141 121 121 ALA CB C 23.270 0.3 1
1142 121 121 ALA N N 121.510 0.3 1
1143 122 122 ASN H H 8.914 0.03 1
1144 122 122 ASN HA H 5.608 0.03 1
1145 122 122 ASN HB2 H 2.946 0.03 2
1146 122 122 ASN HB3 H 3.196 0.03 2
1147 122 122 ASN HD21 H 7.062 0.03 2
1148 122 122 ASN HD22 H 7.830 0.03 2
1149 122 122 ASN C C 175.735 0.3 1
1150 122 122 ASN CA C 52.820 0.3 1
1151 122 122 ASN CB C 38.690 0.3 1
1152 122 122 ASN N N 118.550 0.3 1
1153 122 122 ASN ND2 N 112.180 0.3 1
1154 123 123 ASP H H 7.948 0.03 1
1155 123 123 ASP HA H 4.920 0.03 1
1156 123 123 ASP HB2 H 2.729 0.03 2
1157 123 123 ASP C C 175.805 0.3 1
1158 123 123 ASP CA C 53.780 0.3 1
1159 123 123 ASP CB C 42.970 0.3 1
1160 123 123 ASP N N 119.370 0.3 1
1161 124 124 GLY H H 8.308 0.03 1
1162 124 124 GLY HA2 H 3.966 0.03 2
1163 124 124 GLY HA3 H 4.200 0.03 2
1164 124 124 GLY C C 172.391 0.3 1
1165 124 124 GLY CA C 45.510 0.3 1
1166 124 124 GLY N N 129.390 0.3 1
1167 125 125 TYR H H 7.771 0.03 1
1168 125 125 TYR HA H 4.330 0.03 1
1169 125 125 TYR HB2 H 2.620 0.03 2
1170 125 125 TYR HB3 H 3.085 0.03 2
1171 125 125 TYR HD1 H 6.415 0.03 3
1172 125 125 TYR HE1 H 6.684 0.03 3
1173 125 125 TYR CA C 61.030 0.3 1
1174 125 125 TYR CB C 40.530 0.3 1
1175 125 125 TYR CD1 C 133.200 0.3 3
1176 125 125 TYR CE1 C 117.900 0.3 3
1177 125 125 TYR N N 121.660 0.3 1
stop_
save_