data_18111
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structure of T7 transcription factor Gp2-E. coli RNAp jaw domain complex
;
_BMRB_accession_number 18111
_BMRB_flat_file_name bmr18111.str
_Entry_type original
_Submission_date 2011-11-29
_Accession_date 2011-11-29
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu Minhao . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 634
"13C chemical shifts" 499
"15N chemical shifts" 113
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-01-25 original BMRB .
stop_
_Original_release_date 2012-01-11
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structure of T7 transcription factor Gp2-E. coli RNAp jaw domain complex
;
_Citation_status submitted
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu Minhao . .
2 Matthews Stephen J. .
3 James Ellen . .
4 Sheppard Carol . .
stop_
_Journal_abbreviation 'Mol. Cell'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'T7 transcription factor Gp2-E. coli RNAp jaw domain complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
entity_2 $entity_2
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_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_1
_Molecular_mass 6635.446
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 84
_Mol_residue_sequence
;
MGSSHHHHHHSSGLVPRGSH
MSNVNTGSLSVDNKKFWATV
ESSEHSFEVPIYAETLDEAL
ELAEWQYVPAGFEVTRVRPC
VAPK
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 SER 4 SER 5 HIS
6 HIS 7 HIS 8 HIS 9 HIS 10 HIS
11 SER 12 SER 13 GLY 14 LEU 15 VAL
16 PRO 17 ARG 18 GLY 19 SER 20 HIS
21 MET 22 SER 23 ASN 24 VAL 25 ASN
26 THR 27 GLY 28 SER 29 LEU 30 SER
31 VAL 32 ASP 33 ASN 34 LYS 35 LYS
36 PHE 37 TRP 38 ALA 39 THR 40 VAL
41 GLU 42 SER 43 SER 44 GLU 45 HIS
46 SER 47 PHE 48 GLU 49 VAL 50 PRO
51 ILE 52 TYR 53 ALA 54 GLU 55 THR
56 LEU 57 ASP 58 GLU 59 ALA 60 LEU
61 GLU 62 LEU 63 ALA 64 GLU 65 TRP
66 GLN 67 TYR 68 VAL 69 PRO 70 ALA
71 GLY 72 PHE 73 GLU 74 VAL 75 THR
76 ARG 77 VAL 78 ARG 79 PRO 80 CYS
81 VAL 82 ALA 83 PRO 84 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_entity_2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_2
_Molecular_mass 6795.774
_Mol_thiol_state 'not present'
_Details .
_Residue_count 84
_Mol_residue_sequence
;
MGSSHHHHHHSSGLVPRGSH
MKEPAILAEISGIVSFGKET
KGKRRLVITPVDGSDPYEEM
IPKWRQLNVFEGERVERGDV
ISDG
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 SER 4 SER 5 HIS
6 HIS 7 HIS 8 HIS 9 HIS 10 HIS
11 SER 12 SER 13 GLY 14 LEU 15 VAL
16 PRO 17 ARG 18 GLY 19 SER 20 HIS
21 MET 22 LYS 23 GLU 24 PRO 25 ALA
26 ILE 27 LEU 28 ALA 29 GLU 30 ILE
31 SER 32 GLY 33 ILE 34 VAL 35 SER
36 PHE 37 GLY 38 LYS 39 GLU 40 THR
41 LYS 42 GLY 43 LYS 44 ARG 45 ARG
46 LEU 47 VAL 48 ILE 49 THR 50 PRO
51 VAL 52 ASP 53 GLY 54 SER 55 ASP
56 PRO 57 TYR 58 GLU 59 GLU 60 MET
61 ILE 62 PRO 63 LYS 64 TRP 65 ARG
66 GLN 67 LEU 68 ASN 69 VAL 70 PHE
71 GLU 72 GLY 73 GLU 74 ARG 75 VAL
76 GLU 77 ARG 78 GLY 79 ASP 80 VAL
81 ILE 82 SER 83 ASP 84 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$entity_1 . 10760 . . Bacteriophage T7 Gp2
$entity_2 'E. coli' 562 Bacteria . Escherichia coli RNAP
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'recombinant technology' . Escherichia coli . pET28b+
$entity_2 'recombinant technology' . Escherichia coli . pET28b+
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
$entity_2 300 mM '[U-100% 13C; U-100% 15N]'
$entity_1 300 mM '[U-100% 13C; U-100% 15N]'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
NaCl 50 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_ARIA
_Saveframe_category software
_Name ARIA
_Version .
loop_
_Vendor
_Address
_Electronic_address
"Linge, O'Donoghue and Nilges" . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DPX
_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_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.05 . M
pH 6.5 . pH
pressure 1 . atm
temperature 303 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_water_reference
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
water C 13 'methyl carbon' ppm 0 internal indirect . . . 0.25
water H 1 protons ppm 0 internal direct . . . 1
water N 15 nitrogen ppm 0 internal indirect . . . 0.1
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_Bacteriophage_T7_Gp2_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $water_reference
_Mol_system_component_name entity_1
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 26 26 THR H H 8.120 0.05 1
2 26 26 THR HA H 4.338 0.05 1
3 26 26 THR HB H 4.310 0.05 1
4 26 26 THR HG2 H 1.216 0.05 1
5 26 26 THR C C 174.245 0.5 1
6 26 26 THR CA C 62.260 0.5 1
7 26 26 THR CB C 69.736 0.5 1
8 26 26 THR CG2 C 21.638 0.5 1
9 26 26 THR N N 114.147 0.5 1
10 27 27 GLY H H 8.390 0.05 1
11 27 27 GLY HA2 H 3.985 0.05 2
12 27 27 GLY HA3 H 3.988 0.05 2
13 27 27 GLY C C 174.196 0.5 1
14 27 27 GLY CA C 45.575 0.5 1
15 27 27 GLY N N 110.943 0.5 1
16 28 28 SER H H 8.116 0.05 1
17 28 28 SER HA H 4.441 0.05 1
18 28 28 SER HB2 H 3.840 0.05 2
19 28 28 SER HB3 H 3.860 0.05 2
20 28 28 SER C C 174.365 0.5 1
21 28 28 SER CA C 58.761 0.5 1
22 28 28 SER CB C 64.085 0.5 1
23 28 28 SER N N 115.527 0.5 1
24 29 29 LEU H H 8.218 0.05 1
25 29 29 LEU HA H 4.395 0.05 1
26 29 29 LEU HB2 H 1.602 0.05 2
27 29 29 LEU HB3 H 1.602 0.05 2
28 29 29 LEU HG H 1.615 0.05 1
29 29 29 LEU HD1 H 0.911 0.05 2
30 29 29 LEU HD2 H 0.855 0.05 2
31 29 29 LEU C C 177.192 0.5 1
32 29 29 LEU CA C 55.403 0.5 1
33 29 29 LEU CB C 42.299 0.5 1
34 29 29 LEU CG C 27.008 0.5 1
35 29 29 LEU CD1 C 24.824 0.5 1
36 29 29 LEU CD2 C 23.367 0.5 1
37 29 29 LEU N N 123.688 0.5 1
38 30 30 SER H H 8.211 0.05 1
39 30 30 SER HA H 4.493 0.05 1
40 30 30 SER HB2 H 3.879 0.05 2
41 30 30 SER HB3 H 3.879 0.05 2
42 30 30 SER C C 174.721 0.5 1
43 30 30 SER CA C 58.188 0.5 1
44 30 30 SER CB C 63.839 0.5 1
45 30 30 SER N N 116.604 0.5 1
46 31 31 VAL H H 8.118 0.05 1
47 31 31 VAL HA H 4.159 0.05 1
48 31 31 VAL HB H 2.090 0.05 1
49 31 31 VAL HG1 H 0.926 0.05 2
50 31 31 VAL HG2 H 0.917 0.05 2
51 31 31 VAL C C 175.563 0.5 1
52 31 31 VAL CA C 62.447 0.5 1
53 31 31 VAL CB C 32.716 0.5 1
54 31 31 VAL CG1 C 21.365 0.5 1
55 31 31 VAL CG2 C 20.090 0.5 1
56 31 31 VAL N N 121.201 0.5 1
57 32 32 ASP H H 8.362 0.05 1
58 32 32 ASP HA H 4.598 0.05 1
59 32 32 ASP HB2 H 2.519 0.05 2
60 32 32 ASP HB3 H 2.748 0.05 2
61 32 32 ASP C C 175.563 0.5 1
62 32 32 ASP CA C 54.175 0.5 1
63 32 32 ASP CB C 40.988 0.5 1
64 32 32 ASP N N 123.093 0.5 1
65 33 33 ASN H H 7.960 0.05 1
66 33 33 ASN HA H 4.623 0.05 1
67 33 33 ASN HB2 H 2.722 0.05 2
68 33 33 ASN HB3 H 2.722 0.05 2
69 33 33 ASN HD21 H 7.410 0.05 2
70 33 33 ASN HD22 H 6.730 0.05 2
71 33 33 ASN C C 174.870 0.5 1
72 33 33 ASN CA C 53.438 0.5 1
73 33 33 ASN CB C 39.514 0.5 1
74 33 33 ASN N N 118.903 0.5 1
75 33 33 ASN ND2 N 110.750 0.5 1
76 34 34 LYS H H 8.433 0.05 1
77 34 34 LYS HA H 4.441 0.05 1
78 34 34 LYS HB2 H 1.833 0.05 2
79 34 34 LYS HB3 H 1.720 0.05 2
80 34 34 LYS HG2 H 1.439 0.05 2
81 34 34 LYS HG3 H 1.439 0.05 2
82 34 34 LYS HD2 H 1.692 0.05 2
83 34 34 LYS HD3 H 1.692 0.05 2
84 34 34 LYS HE2 H 3.017 0.05 2
85 34 34 LYS HE3 H 3.017 0.05 2
86 34 34 LYS C C 173.522 0.5 1
87 34 34 LYS CA C 55.895 0.5 1
88 34 34 LYS CB C 34.027 0.5 1
89 34 34 LYS CG C 24.514 0.5 1
90 34 34 LYS CD C 28.901 0.5 1
91 34 34 LYS CE C 42.062 0.5 1
92 34 34 LYS N N 121.802 0.5 1
93 35 35 LYS H H 7.756 0.05 1
94 35 35 LYS HA H 4.211 0.05 1
95 35 35 LYS HB2 H 1.317 0.05 2
96 35 35 LYS HB3 H 1.317 0.05 2
97 35 35 LYS HG2 H 0.333 0.05 2
98 35 35 LYS HG3 H 0.333 0.05 2
99 35 35 LYS HD2 H 1.386 0.05 2
100 35 35 LYS HD3 H 1.386 0.05 2
101 35 35 LYS HE2 H 2.067 0.05 2
102 35 35 LYS HE3 H 2.369 0.05 2
103 35 35 LYS C C 174.290 0.5 1
104 35 35 LYS CA C 55.649 0.5 1
105 35 35 LYS CB C 35.091 0.5 1
106 35 35 LYS CG C 25.097 0.5 1
107 35 35 LYS CD C 29.648 0.5 1
108 35 35 LYS CE C 41.755 0.5 1
109 35 35 LYS N N 119.987 0.5 1
110 36 36 PHE H H 8.965 0.05 1
111 36 36 PHE HA H 4.707 0.05 1
112 36 36 PHE HB2 H 2.530 0.05 2
113 36 36 PHE HB3 H 2.530 0.05 2
114 36 36 PHE HD1 H 6.811 0.05 3
115 36 36 PHE HD2 H 6.811 0.05 3
116 36 36 PHE HE1 H 7.145 0.05 3
117 36 36 PHE HE2 H 7.145 0.05 3
118 36 36 PHE HZ H 6.864 0.05 1
119 36 36 PHE C C 173.859 0.5 1
120 36 36 PHE CA C 55.860 0.5 1
121 36 36 PHE CB C 42.217 0.5 1
122 36 36 PHE CD1 C 131.760 0.5 3
123 36 36 PHE CD2 C 131.760 0.5 3
124 36 36 PHE CE1 C 131.213 0.5 3
125 36 36 PHE CE2 C 131.213 0.5 3
126 36 36 PHE CZ C 128.479 0.5 1
127 36 36 PHE N N 124.776 0.5 1
128 37 37 TRP H H 9.518 0.05 1
129 37 37 TRP HA H 5.473 0.05 1
130 37 37 TRP HB2 H 2.894 0.05 2
131 37 37 TRP HB3 H 2.894 0.05 2
132 37 37 TRP HD1 H 6.811 0.05 1
133 37 37 TRP HE1 H 10.220 0.05 1
134 37 37 TRP HE3 H 7.238 0.05 1
135 37 37 TRP HZ2 H 7.508 0.05 1
136 37 37 TRP C C 176.836 0.5 1
137 37 37 TRP CA C 55.076 0.5 1
138 37 37 TRP CB C 32.225 0.5 1
139 37 37 TRP CD1 C 126.838 0.5 1
140 37 37 TRP CE3 C 120.275 0.5 1
141 37 37 TRP CZ2 C 114.806 0.5 1
142 37 37 TRP N N 118.086 0.5 1
143 37 37 TRP NE1 N 128.196 0.5 1
144 38 38 ALA H H 9.792 0.05 1
145 38 38 ALA HA H 5.554 0.05 1
146 38 38 ALA HB H 1.179 0.05 1
147 38 38 ALA C C 175.713 0.5 1
148 38 38 ALA CA C 49.916 0.5 1
149 38 38 ALA CB C 20.677 0.5 1
150 38 38 ALA N N 128.591 0.5 1
151 39 39 THR H H 9.270 0.05 1
152 39 39 THR HB H 4.089 0.05 1
153 39 39 THR HG2 H 1.081 0.05 1
154 39 39 THR CA C 63.002 0.5 1
155 39 39 THR CB C 68.500 0.5 1
156 39 39 THR CG2 C 21.547 0.5 1
157 39 39 THR N N 122.058 0.5 1
158 40 40 VAL H H 8.891 0.05 1
159 40 40 VAL HA H 4.996 0.05 1
160 40 40 VAL HB H 0.963 0.05 1
161 40 40 VAL HG1 H 0.105 0.05 2
162 40 40 VAL HG2 H -0.090 0.05 2
163 40 40 VAL C C 174.646 0.5 1
164 40 40 VAL CA C 59.253 0.5 1
165 40 40 VAL CB C 32.962 0.5 1
166 40 40 VAL CG1 C 21.820 0.5 1
167 40 40 VAL CG2 C 19.089 0.5 1
168 40 40 VAL N N 124.388 0.5 1
169 41 41 GLU H H 9.220 0.05 1
170 41 41 GLU HA H 5.507 0.05 1
171 41 41 GLU HB2 H 1.985 0.05 2
172 41 41 GLU HB3 H 2.220 0.05 2
173 41 41 GLU HG2 H 2.285 0.05 2
174 41 41 GLU HG3 H 2.285 0.05 2
175 41 41 GLU C C 176.162 0.5 1
176 41 41 GLU CA C 55.403 0.5 1
177 41 41 GLU CB C 34.272 0.5 1
178 41 41 GLU CG C 36.748 0.5 1
179 41 41 GLU N N 120.682 0.5 1
180 42 42 SER H H 9.264 0.05 1
181 42 42 SER CA C 56.468 0.5 1
182 42 42 SER N N 120.901 0.5 1
183 43 43 SER HA H 4.208 0.05 1
184 43 43 SER HB2 H 3.956 0.05 2
185 43 43 SER HB3 H 3.968 0.05 2
186 43 43 SER C C 175.095 0.5 1
187 43 43 SER CA C 61.136 0.5 1
188 43 43 SER CB C 62.856 0.5 1
189 44 44 GLU H H 8.049 0.05 1
190 44 44 GLU HA H 4.362 0.05 1
191 44 44 GLU HB2 H 1.662 0.05 2
192 44 44 GLU HB3 H 1.781 0.05 2
193 44 44 GLU HG2 H 2.035 0.05 2
194 44 44 GLU HG3 H 2.143 0.05 2
195 44 44 GLU C C 175.526 0.5 1
196 44 44 GLU CA C 57.123 0.5 1
197 44 44 GLU CB C 32.143 0.5 1
198 44 44 GLU CG C 36.526 0.5 1
199 44 44 GLU N N 116.492 0.5 1
200 45 45 HIS H H 7.653 0.05 1
201 45 45 HIS HA H 5.062 0.05 1
202 45 45 HIS HB2 H 3.081 0.05 2
203 45 45 HIS HB3 H 3.219 0.05 2
204 45 45 HIS C C 173.485 0.5 1
205 45 45 HIS CA C 55.321 0.5 1
206 45 45 HIS CB C 34.518 0.5 1
207 45 45 HIS N N 116.615 0.5 1
208 46 46 SER H H 8.233 0.05 1
209 46 46 SER HA H 5.466 0.05 1
210 46 46 SER HB2 H 3.740 0.05 2
211 46 46 SER HB3 H 3.741 0.05 2
212 46 46 SER C C 173.017 0.5 1
213 46 46 SER CA C 57.287 0.5 1
214 46 46 SER CB C 65.395 0.5 1
215 46 46 SER N N 115.442 0.5 1
216 47 47 PHE H H 8.791 0.05 1
217 47 47 PHE HA H 4.963 0.05 1
218 47 47 PHE HB2 H 2.911 0.05 2
219 47 47 PHE HB3 H 3.276 0.05 2
220 47 47 PHE HD1 H 6.885 0.05 3
221 47 47 PHE HD2 H 6.885 0.05 3
222 47 47 PHE HE1 H 6.688 0.05 3
223 47 47 PHE HE2 H 6.688 0.05 3
224 47 47 PHE C C 172.605 0.5 1
225 47 47 PHE CA C 56.304 0.5 1
226 47 47 PHE CB C 40.579 0.5 1
227 47 47 PHE CD1 C 132.306 0.5 3
228 47 47 PHE CD2 C 132.306 0.5 3
229 47 47 PHE CE1 C 129.572 0.5 3
230 47 47 PHE CE2 C 129.572 0.5 3
231 47 47 PHE N N 120.907 0.5 1
232 48 48 GLU H H 8.482 0.05 1
233 48 48 GLU HA H 5.564 0.05 1
234 48 48 GLU HB2 H 1.702 0.05 2
235 48 48 GLU HB3 H 1.771 0.05 2
236 48 48 GLU HG2 H 2.125 0.05 2
237 48 48 GLU HG3 H 2.125 0.05 2
238 48 48 GLU C C 176.611 0.5 1
239 48 48 GLU CA C 54.994 0.5 1
240 48 48 GLU CB C 32.962 0.5 1
241 48 48 GLU CG C 37.476 0.5 1
242 48 48 GLU N N 118.591 0.5 1
243 49 49 VAL H H 9.341 0.05 1
244 49 49 VAL HA H 5.187 0.05 1
245 49 49 VAL HB H 2.306 0.05 1
246 49 49 VAL HG1 H 0.829 0.05 2
247 49 49 VAL HG2 H 0.995 0.05 2
248 49 49 VAL CA C 57.533 0.5 1
249 49 49 VAL CB C 34.043 0.5 1
250 49 49 VAL CG1 C 18.816 0.5 1
251 49 49 VAL CG2 C 21.729 0.5 1
252 49 49 VAL N N 118.507 0.5 1
253 50 50 PRO HA H 4.845 0.05 1
254 50 50 PRO HB2 H 1.408 0.05 2
255 50 50 PRO HB3 H 1.406 0.05 2
256 50 50 PRO HG2 H 2.160 0.05 2
257 50 50 PRO HG3 H 2.160 0.05 2
258 50 50 PRO HD2 H 4.007 0.05 2
259 50 50 PRO HD3 H 4.007 0.05 2
260 50 50 PRO C C 176.087 0.5 1
261 50 50 PRO CA C 61.710 0.5 1
262 50 50 PRO CB C 32.061 0.5 1
263 50 50 PRO CG C 26.826 0.5 1
264 50 50 PRO CD C 50.402 0.5 1
265 51 51 ILE H H 8.801 0.05 1
266 51 51 ILE HA H 4.382 0.05 1
267 51 51 ILE HB H 1.706 0.05 1
268 51 51 ILE HG12 H 1.275 0.05 1
269 51 51 ILE HG13 H 1.275 0.05 1
270 51 51 ILE HG2 H 1.008 0.05 1
271 51 51 ILE HD1 H 0.884 0.05 1
272 51 51 ILE C C 174.234 0.5 1
273 51 51 ILE CA C 58.188 0.5 1
274 51 51 ILE CB C 40.579 0.5 1
275 51 51 ILE CG1 C 27.099 0.5 1
276 51 51 ILE CG2 C 18.088 0.5 1
277 51 51 ILE CD1 C 10.441 0.5 1
278 51 51 ILE N N 123.316 0.5 1
279 52 52 TYR H H 8.489 0.05 1
280 52 52 TYR HA H 5.471 0.05 1
281 52 52 TYR HB2 H 2.745 0.05 2
282 52 52 TYR HB3 H 2.817 0.05 2
283 52 52 TYR HD1 H 7.023 0.05 3
284 52 52 TYR HD2 H 7.023 0.05 3
285 52 52 TYR HE1 H 6.705 0.05 3
286 52 52 TYR HE2 H 6.705 0.05 3
287 52 52 TYR C C 174.945 0.5 1
288 52 52 TYR CA C 56.868 0.5 1
289 52 52 TYR CB C 38.859 0.5 1
290 52 52 TYR CD1 C 133.400 0.5 3
291 52 52 TYR CD2 C 133.400 0.5 3
292 52 52 TYR CE1 C 117.541 0.5 3
293 52 52 TYR CE2 C 117.541 0.5 3
294 52 52 TYR N N 126.356 0.5 1
295 53 53 ALA H H 8.869 0.05 1
296 53 53 ALA HA H 4.599 0.05 1
297 53 53 ALA HB H 1.278 0.05 1
298 53 53 ALA C C 176.274 0.5 1
299 53 53 ALA CA C 51.472 0.5 1
300 53 53 ALA CB C 22.478 0.5 1
301 53 53 ALA N N 124.004 0.5 1
302 54 54 GLU H H 9.114 0.05 1
303 54 54 GLU HA H 4.493 0.05 1
304 54 54 GLU HB2 H 2.185 0.05 2
305 54 54 GLU HB3 H 2.185 0.05 2
306 54 54 GLU HG2 H 2.307 0.05 2
307 54 54 GLU HG3 H 2.531 0.05 2
308 54 54 GLU C C 177.398 0.5 1
309 54 54 GLU CA C 59.007 0.5 1
310 54 54 GLU CB C 31.242 0.5 1
311 54 54 GLU CG C 37.045 0.5 1
312 54 54 GLU N N 117.162 0.5 1
313 55 55 THR H H 6.963 0.05 1
314 55 55 THR HA H 4.806 0.05 1
315 55 55 THR HB H 4.540 0.05 1
316 55 55 THR HG2 H 1.239 0.05 1
317 55 55 THR C C 173.354 0.5 1
318 55 55 THR CA C 58.597 0.5 1
319 55 55 THR CB C 73.913 0.5 1
320 55 55 THR CG2 C 21.772 0.5 1
321 55 55 THR N N 102.846 0.5 1
322 56 56 LEU H H 8.869 0.05 1
323 56 56 LEU HA H 3.012 0.05 1
324 56 56 LEU HB2 H 1.593 0.05 2
325 56 56 LEU HB3 H 1.593 0.05 2
326 56 56 LEU HG H 1.356 0.05 1
327 56 56 LEU HD1 H 0.807 0.05 2
328 56 56 LEU HD2 H 0.807 0.05 2
329 56 56 LEU C C 177.136 0.5 1
330 56 56 LEU CA C 57.369 0.5 1
331 56 56 LEU CB C 42.381 0.5 1
332 56 56 LEU CG C 26.068 0.5 1
333 56 56 LEU CD1 C 23.234 0.5 1
334 56 56 LEU CD2 C 23.234 0.5 1
335 56 56 LEU N N 123.263 0.5 1
336 57 57 ASP H H 7.933 0.05 1
337 57 57 ASP HA H 3.938 0.05 1
338 57 57 ASP HB2 H 2.500 0.05 2
339 57 57 ASP HB3 H 2.500 0.05 2
340 57 57 ASP CA C 57.369 0.5 1
341 57 57 ASP CB C 40.715 0.5 1
342 57 57 ASP N N 114.945 0.5 1
343 58 58 GLU H H 7.747 0.05 1
344 58 58 GLU HA H 3.958 0.05 1
345 58 58 GLU HB2 H 1.958 0.05 2
346 58 58 GLU HB3 H 1.958 0.05 2
347 58 58 GLU HG2 H 2.297 0.05 2
348 58 58 GLU HG3 H 2.297 0.05 2
349 58 58 GLU C C 177.510 0.5 1
350 58 58 GLU CA C 58.597 0.5 1
351 58 58 GLU CB C 30.259 0.5 1
352 58 58 GLU CG C 36.669 0.5 1
353 58 58 GLU N N 120.429 0.5 1
354 59 59 ALA H H 7.890 0.05 1
355 59 59 ALA HA H 3.625 0.05 1
356 59 59 ALA HB H 0.513 0.05 1
357 59 59 ALA C C 178.839 0.5 1
358 59 59 ALA CA C 54.994 0.5 1
359 59 59 ALA CB C 17.155 0.5 1
360 59 59 ALA N N 122.128 0.5 1
361 60 60 LEU H H 7.738 0.05 1
362 60 60 LEU HA H 3.948 0.05 1
363 60 60 LEU HB2 H 1.278 0.05 2
364 60 60 LEU HB3 H 1.995 0.05 2
365 60 60 LEU HG H 1.521 0.05 1
366 60 60 LEU HD1 H 0.930 0.05 2
367 60 60 LEU HD2 H 0.880 0.05 2
368 60 60 LEU C C 177.323 0.5 1
369 60 60 LEU CA C 58.516 0.5 1
370 60 60 LEU CB C 40.825 0.5 1
371 60 60 LEU CG C 27.008 0.5 1
372 60 60 LEU CD1 C 26.280 0.5 1
373 60 60 LEU CD2 C 23.458 0.5 1
374 60 60 LEU N N 116.354 0.5 1
375 61 61 GLU H H 7.457 0.05 1
376 61 61 GLU HA H 4.007 0.05 1
377 61 61 GLU HB2 H 2.027 0.05 2
378 61 61 GLU HB3 H 2.027 0.05 2
379 61 61 GLU HG2 H 2.057 0.05 2
380 61 61 GLU HG3 H 2.250 0.05 2
381 61 61 GLU C C 179.326 0.5 1
382 61 61 GLU CA C 59.908 0.5 1
383 61 61 GLU CB C 29.604 0.5 1
384 61 61 GLU CG C 36.111 0.5 1
385 61 61 GLU N N 118.267 0.5 1
386 62 62 LEU H H 8.627 0.05 1
387 62 62 LEU HA H 4.191 0.05 1
388 62 62 LEU HB2 H 1.884 0.05 2
389 62 62 LEU HB3 H 1.884 0.05 2
390 62 62 LEU HG H 1.834 0.05 1
391 62 62 LEU HD1 H 0.994 0.05 2
392 62 62 LEU HD2 H 0.959 0.05 2
393 62 62 LEU C C 180.018 0.5 1
394 62 62 LEU CA C 58.024 0.5 1
395 62 62 LEU CB C 42.217 0.5 1
396 62 62 LEU CG C 26.917 0.5 1
397 62 62 LEU CD1 C 25.552 0.5 1
398 62 62 LEU CD2 C 23.458 0.5 1
399 62 62 LEU N N 119.807 0.5 1
400 63 63 ALA H H 8.500 0.05 1
401 63 63 ALA HA H 4.224 0.05 1
402 63 63 ALA HB H 1.479 0.05 1
403 63 63 ALA C C 179.850 0.5 1
404 63 63 ALA CA C 55.731 0.5 1
405 63 63 ALA CB C 18.220 0.5 1
406 63 63 ALA N N 121.616 0.5 1
407 64 64 GLU H H 8.777 0.05 1
408 64 64 GLU HA H 4.094 0.05 1
409 64 64 GLU HB2 H 2.303 0.05 2
410 64 64 GLU HB3 H 2.303 0.05 2
411 64 64 GLU HG2 H 2.062 0.05 2
412 64 64 GLU HG3 H 2.098 0.05 2
413 64 64 GLU C C 179.195 0.5 1
414 64 64 GLU CA C 60.891 0.5 1
415 64 64 GLU CB C 29.604 0.5 1
416 64 64 GLU CG C 38.296 0.5 1
417 64 64 GLU N N 117.206 0.5 1
418 65 65 TRP H H 8.573 0.05 1
419 65 65 TRP HA H 4.352 0.05 1
420 65 65 TRP HB2 H 3.515 0.05 2
421 65 65 TRP HB3 H 3.515 0.05 2
422 65 65 TRP HD1 H 7.280 0.05 1
423 65 65 TRP HE1 H 10.064 0.05 1
424 65 65 TRP HE3 H 7.677 0.05 1
425 65 65 TRP HZ2 H 7.437 0.05 1
426 65 65 TRP HZ3 H 7.137 0.05 1
427 65 65 TRP C C 177.341 0.5 1
428 65 65 TRP CA C 60.072 0.5 1
429 65 65 TRP CB C 28.949 0.5 1
430 65 65 TRP CD1 C 126.290 0.5 1
431 65 65 TRP CE3 C 120.820 0.5 1
432 65 65 TRP CZ3 C 121.916 0.5 1
433 65 65 TRP N N 119.866 0.5 1
434 65 65 TRP NE1 N 128.822 0.5 1
435 66 66 GLN H H 7.726 0.05 1
436 66 66 GLN HA H 3.820 0.05 1
437 66 66 GLN HB2 H 1.556 0.05 2
438 66 66 GLN HB3 H 2.051 0.05 2
439 66 66 GLN HG2 H 1.613 0.05 2
440 66 66 GLN HG3 H 2.080 0.05 2
441 66 66 GLN C C 177.997 0.5 1
442 66 66 GLN CA C 58.106 0.5 1
443 66 66 GLN CB C 29.850 0.5 1
444 66 66 GLN CG C 33.653 0.5 1
445 66 66 GLN N N 113.161 0.5 1
446 67 67 TYR H H 8.303 0.05 1
447 67 67 TYR HA H 4.597 0.05 1
448 67 67 TYR HB2 H 2.718 0.05 2
449 67 67 TYR HB3 H 2.718 0.05 2
450 67 67 TYR HD1 H 7.176 0.05 3
451 67 67 TYR HD2 H 7.176 0.05 3
452 67 67 TYR HE1 H 6.661 0.05 3
453 67 67 TYR HE2 H 6.661 0.05 3
454 67 67 TYR C C 177.547 0.5 1
455 67 67 TYR CA C 61.850 0.5 1
456 67 67 TYR CB C 38.750 0.5 1
457 67 67 TYR CD1 C 132.854 0.5 3
458 67 67 TYR CD2 C 132.854 0.5 3
459 67 67 TYR CE1 C 118.088 0.5 3
460 67 67 TYR CE2 C 118.088 0.5 3
461 67 67 TYR N N 113.766 0.5 1
462 68 68 VAL H H 8.669 0.05 1
463 68 68 VAL HA H 4.900 0.05 1
464 68 68 VAL HB H 2.637 0.05 1
465 68 68 VAL HG1 H 1.322 0.05 2
466 68 68 VAL HG2 H 1.062 0.05 2
467 68 68 VAL CA C 67.607 0.5 1
468 68 68 VAL CB C 28.742 0.5 1
469 68 68 VAL CG1 C 23.640 0.5 1
470 68 68 VAL CG2 C 20.910 0.5 1
471 68 68 VAL N N 123.300 0.5 1
472 69 69 PRO HA H 4.451 0.05 1
473 69 69 PRO HB2 H 2.322 0.05 2
474 69 69 PRO HB3 H 2.322 0.05 2
475 69 69 PRO HG2 H 1.862 0.05 2
476 69 69 PRO HG3 H 1.862 0.05 2
477 69 69 PRO HD2 H 3.268 0.05 2
478 69 69 PRO HD3 H 3.268 0.05 2
479 69 69 PRO C C 176.742 0.5 1
480 69 69 PRO CA C 65.395 0.5 1
481 69 69 PRO CB C 30.833 0.5 1
482 69 69 PRO CG C 28.283 0.5 1
483 69 69 PRO CD C 51.312 0.5 1
484 70 70 ALA H H 6.837 0.05 1
485 70 70 ALA HA H 4.520 0.05 1
486 70 70 ALA HB H 1.731 0.05 1
487 70 70 ALA C C 176.780 0.5 1
488 70 70 ALA CA C 51.800 0.5 1
489 70 70 ALA CB C 18.875 0.5 1
490 70 70 ALA N N 116.256 0.5 1
491 71 71 GLY H H 8.312 0.05 1
492 71 71 GLY HA2 H 3.781 0.05 2
493 71 71 GLY HA3 H 4.175 0.05 2
494 71 71 GLY C C 173.785 0.5 1
495 71 71 GLY CA C 45.493 0.5 1
496 71 71 GLY N N 105.885 0.5 1
497 72 72 PHE H H 7.609 0.05 1
498 72 72 PHE HA H 4.924 0.05 1
499 72 72 PHE HB2 H 3.030 0.05 2
500 72 72 PHE HB3 H 3.030 0.05 2
501 72 72 PHE HD1 H 7.322 0.05 3
502 72 72 PHE HD2 H 7.322 0.05 3
503 72 72 PHE HE1 H 6.867 0.05 3
504 72 72 PHE HE2 H 6.867 0.05 3
505 72 72 PHE HZ H 6.673 0.05 1
506 72 72 PHE CA C 56.990 0.5 1
507 72 72 PHE CB C 42.000 0.5 1
508 72 72 PHE CD1 C 132.307 0.5 3
509 72 72 PHE CD2 C 132.307 0.5 3
510 72 72 PHE CE1 C 132.307 0.5 3
511 72 72 PHE CE2 C 132.307 0.5 3
512 72 72 PHE CZ C 129.570 0.5 1
513 72 72 PHE N N 118.275 0.5 1
514 73 73 GLU H H 8.900 0.05 1
515 73 73 GLU HA H 4.697 0.05 1
516 73 73 GLU HB2 H 1.987 0.05 2
517 73 73 GLU HB3 H 1.987 0.05 2
518 73 73 GLU HG2 H 2.373 0.05 2
519 73 73 GLU HG3 H 2.213 0.05 2
520 73 73 GLU CA C 54.940 0.5 1
521 73 73 GLU CB C 32.780 0.5 1
522 73 73 GLU CG C 36.450 0.5 1
523 73 73 GLU N N 118.920 0.5 1
524 74 74 VAL H H 9.116 0.05 1
525 74 74 VAL HA H 4.746 0.05 1
526 74 74 VAL HB H 2.135 0.05 1
527 74 74 VAL HG1 H 0.874 0.05 2
528 74 74 VAL HG2 H 0.795 0.05 2
529 74 74 VAL C C 176.780 0.5 1
530 74 74 VAL CA C 61.300 0.5 1
531 74 74 VAL CB C 31.078 0.5 1
532 74 74 VAL CG1 C 21.586 0.5 1
533 74 74 VAL CG2 C 21.586 0.5 1
534 74 74 VAL N N 125.320 0.5 1
535 75 75 THR H H 8.779 0.05 1
536 75 75 THR HA H 4.326 0.05 1
537 75 75 THR HB H 4.191 0.05 1
538 75 75 THR C C 173.766 0.5 1
539 75 75 THR CA C 62.119 0.5 1
540 75 75 THR CB C 69.076 0.5 1
541 75 75 THR CG2 C 21.393 0.5 1
542 75 75 THR N N 118.539 0.5 1
543 76 76 ARG H H 7.290 0.05 1
544 76 76 ARG HA H 4.973 0.05 1
545 76 76 ARG HB2 H 1.836 0.05 2
546 76 76 ARG HB3 H 1.721 0.05 2
547 76 76 ARG HG2 H 1.702 0.05 2
548 76 76 ARG HG3 H 1.702 0.05 2
549 76 76 ARG HD2 H 3.015 0.05 2
550 76 76 ARG HD3 H 3.015 0.05 2
551 76 76 ARG C C 175.338 0.5 1
552 76 76 ARG CA C 56.140 0.5 1
553 76 76 ARG CB C 33.495 0.5 1
554 76 76 ARG CG C 29.284 0.5 1
555 76 76 ARG CD C 42.086 0.5 1
556 76 76 ARG N N 119.963 0.5 1
557 77 77 VAL H H 8.467 0.05 1
558 77 77 VAL HA H 5.062 0.05 1
559 77 77 VAL HB H 1.781 0.05 1
560 77 77 VAL HG1 H 0.815 0.05 2
561 77 77 VAL HG2 H 0.736 0.05 2
562 77 77 VAL C C 173.242 0.5 1
563 77 77 VAL CA C 62.201 0.5 1
564 77 77 VAL CB C 34.933 0.5 1
565 77 77 VAL CG1 C 22.275 0.5 1
566 77 77 VAL CG2 C 22.275 0.5 1
567 77 77 VAL N N 123.743 0.5 1
568 78 78 ARG H H 9.165 0.05 1
569 78 78 ARG CA C 52.209 0.5 1
570 78 78 ARG CB C 31.660 0.5 1
571 78 78 ARG N N 124.426 0.5 1
572 79 79 PRO HA H 4.372 0.05 1
573 79 79 PRO HB2 H 1.781 0.05 2
574 79 79 PRO HB3 H 2.076 0.05 2
575 79 79 PRO HG2 H 2.053 0.05 2
576 79 79 PRO HG3 H 2.053 0.05 2
577 79 79 PRO HD2 H 3.697 0.05 2
578 79 79 PRO HD3 H 3.869 0.05 2
579 79 79 PRO C C 175.357 0.5 1
580 79 79 PRO CA C 63.020 0.5 1
581 79 79 PRO CB C 31.897 0.5 1
582 79 79 PRO CG C 27.164 0.5 1
583 79 79 PRO CD C 51.019 0.5 1
584 80 80 CYS H H 7.830 0.05 1
585 80 80 CYS HA H 4.548 0.05 1
586 80 80 CYS C C 174.852 0.5 1
587 80 80 CYS CA C 59.171 0.5 1
588 80 80 CYS CB C 26.328 0.5 1
589 80 80 CYS N N 120.695 0.5 1
590 81 81 VAL H H 8.583 0.05 1
591 81 81 VAL HA H 4.382 0.05 1
592 81 81 VAL HB H 2.234 0.05 1
593 81 81 VAL HG1 H 1.209 0.05 2
594 81 81 VAL HG2 H 1.012 0.05 2
595 81 81 VAL C C 175.263 0.5 1
596 81 81 VAL CA C 61.874 0.5 1
597 81 81 VAL CB C 32.716 0.5 1
598 81 81 VAL CG1 C 21.571 0.5 1
599 81 81 VAL CG2 C 20.168 0.5 1
600 81 81 VAL N N 126.766 0.5 1
601 82 82 ALA H H 8.541 0.05 1
602 82 82 ALA CA C 50.489 0.5 1
603 82 82 ALA N N 129.754 0.5 1
stop_
save_
save_Bacteriophage_T7_Gp2_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $water_reference
_Mol_system_component_name entity_2
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 24 24 PRO HA H 4.426 0.05 1
2 24 24 PRO HB2 H 1.917 0.05 2
3 24 24 PRO HB3 H 2.247 0.05 2
4 24 24 PRO HG2 H 1.923 0.05 2
5 24 24 PRO HG3 H 2.048 0.05 2
6 24 24 PRO HD2 H 3.728 0.05 2
7 24 24 PRO HD3 H 3.876 0.05 2
8 24 24 PRO C C 176.996 0.5 1
9 24 24 PRO CA C 62.777 0.5 1
10 24 24 PRO CB C 31.964 0.5 1
11 24 24 PRO CG C 27.149 0.5 1
12 24 24 PRO CD C 50.838 0.5 1
13 25 25 ALA H H 8.320 0.05 1
14 25 25 ALA HA H 4.285 0.05 1
15 25 25 ALA HB H 1.342 0.05 1
16 25 25 ALA C C 177.587 0.5 1
17 25 25 ALA CA C 52.703 0.5 1
18 25 25 ALA CB C 19.023 0.5 1
19 25 25 ALA N N 123.993 0.5 1
20 26 26 ILE H H 8.598 0.05 1
21 26 26 ILE HA H 4.115 0.05 1
22 26 26 ILE HB H 1.543 0.05 1
23 26 26 ILE HG12 H 0.978 0.05 1
24 26 26 ILE HG13 H 1.621 0.05 1
25 26 26 ILE HG2 H 0.774 0.05 1
26 26 26 ILE HD1 H 0.760 0.05 1
27 26 26 ILE C C 174.652 0.5 1
28 26 26 ILE CA C 61.303 0.5 1
29 26 26 ILE CB C 39.417 0.5 1
30 26 26 ILE CG1 C 27.149 0.5 1
31 26 26 ILE CG2 C 16.455 0.5 1
32 26 26 ILE CD1 C 12.433 0.5 1
33 26 26 ILE N N 120.799 0.5 1
34 27 27 LEU H H 8.701 0.05 1
35 27 27 LEU HA H 5.058 0.05 1
36 27 27 LEU HB2 H 1.059 0.05 2
37 27 27 LEU HB3 H 1.615 0.05 2
38 27 27 LEU HG H 1.555 0.05 1
39 27 27 LEU HD1 H 0.828 0.05 2
40 27 27 LEU HD2 H 0.705 0.05 2
41 27 27 LEU C C 177.649 0.5 1
42 27 27 LEU CA C 52.539 0.5 1
43 27 27 LEU CB C 43.202 0.5 1
44 27 27 LEU CG C 27.446 0.5 1
45 27 27 LEU CD1 C 24.807 0.5 1
46 27 27 LEU CD2 C 23.441 0.5 1
47 27 27 LEU N N 128.700 0.5 1
48 28 28 ALA H H 9.243 0.05 1
49 28 28 ALA HA H 4.040 0.05 1
50 28 28 ALA HB H 1.313 0.05 1
51 28 28 ALA C C 179.462 0.5 1
52 28 28 ALA CA C 51.966 0.5 1
53 28 28 ALA CB C 18.040 0.5 1
54 28 28 ALA N N 124.154 0.5 1
55 29 29 GLU H H 8.342 0.05 1
56 29 29 GLU HA H 3.936 0.05 1
57 29 29 GLU HB2 H 1.330 0.05 2
58 29 29 GLU HB3 H 1.332 0.05 2
59 29 29 GLU HG2 H 2.260 0.05 2
60 29 29 GLU HG3 H 2.260 0.05 2
61 29 29 GLU C C 175.569 0.5 1
62 29 29 GLU CA C 57.320 0.5 1
63 29 29 GLU CB C 30.056 0.5 1
64 29 29 GLU CG C 35.453 0.5 1
65 29 29 GLU N N 126.521 0.5 1
66 30 30 ILE H H 6.701 0.05 1
67 30 30 ILE HA H 4.387 0.05 1
68 30 30 ILE HB H 1.776 0.05 1
69 30 30 ILE HG2 H 0.713 0.05 1
70 30 30 ILE HD1 H 0.876 0.05 1
71 30 30 ILE C C 172.899 0.5 1
72 30 30 ILE CA C 58.682 0.5 1
73 30 30 ILE CB C 42.956 0.5 1
74 30 30 ILE CG1 C 25.262 0.5 1
75 30 30 ILE CG2 C 17.707 0.5 1
76 30 30 ILE CD1 C 14.885 0.5 1
77 30 30 ILE N N 107.034 0.5 1
78 31 31 SER H H 7.887 0.05 1
79 31 31 SER HA H 4.766 0.05 1
80 31 31 SER HB2 H 3.775 0.05 2
81 31 31 SER HB3 H 4.030 0.05 2
82 31 31 SER C C 174.795 0.5 1
83 31 31 SER CA C 56.389 0.5 1
84 31 31 SER CB C 64.006 0.5 1
85 31 31 SER N N 112.862 0.5 1
86 32 32 GLY H H 8.575 0.05 1
87 32 32 GLY HA2 H 3.672 0.05 2
88 32 32 GLY HA3 H 4.115 0.05 2
89 32 32 GLY C C 170.516 0.5 1
90 32 32 GLY CA C 45.741 0.5 1
91 32 32 GLY N N 110.064 0.5 1
92 33 33 ILE H H 8.446 0.05 1
93 33 33 ILE HA H 4.624 0.05 1
94 33 33 ILE HB H 1.785 0.05 1
95 33 33 ILE HG12 H 1.243 0.05 1
96 33 33 ILE HG13 H 1.481 0.05 1
97 33 33 ILE HG2 H 0.809 0.05 1
98 33 33 ILE HD1 H 0.774 0.05 1
99 33 33 ILE C C 177.404 0.5 1
100 33 33 ILE CA C 59.338 0.5 1
101 33 33 ILE CB C 38.573 0.5 1
102 33 33 ILE CG1 C 27.902 0.5 1
103 33 33 ILE CG2 C 17.525 0.5 1
104 33 33 ILE CD1 C 11.335 0.5 1
105 33 33 ILE N N 120.398 0.5 1
106 34 34 VAL H H 8.993 0.05 1
107 34 34 VAL HA H 4.700 0.05 1
108 34 34 VAL HB H 2.059 0.05 1
109 34 34 VAL HG1 H 0.936 0.05 2
110 34 34 VAL HG2 H 0.531 0.05 2
111 34 34 VAL C C 175.243 0.5 1
112 34 34 VAL CA C 62.628 0.5 1
113 34 34 VAL CB C 32.815 0.5 1
114 34 34 VAL CG1 C 23.493 0.5 1
115 34 34 VAL CG2 C 21.573 0.5 1
116 34 34 VAL N N 131.785 0.5 1
117 35 35 SER H H 9.670 0.05 1
118 35 35 SER HA H 4.219 0.05 1
119 35 35 SER HB2 H 3.851 0.05 2
120 35 35 SER HB3 H 4.011 0.05 2
121 35 35 SER C C 170.515 0.5 1
122 35 35 SER CA C 58.027 0.5 1
123 35 35 SER CB C 65.234 0.5 1
124 35 35 SER N N 122.774 0.5 1
125 36 36 PHE H H 8.500 0.05 1
126 36 36 PHE HA H 5.775 0.05 1
127 36 36 PHE HB2 H 2.927 0.05 2
128 36 36 PHE HB3 H 3.436 0.05 2
129 36 36 PHE HD1 H 7.261 0.05 3
130 36 36 PHE HD2 H 7.261 0.05 3
131 36 36 PHE HE1 H 7.029 0.05 3
132 36 36 PHE HE2 H 7.029 0.05 3
133 36 36 PHE C C 177.567 0.5 1
134 36 36 PHE CA C 55.897 0.5 1
135 36 36 PHE CB C 40.663 0.5 1
136 36 36 PHE CD1 C 131.742 0.5 3
137 36 36 PHE CD2 C 131.742 0.5 3
138 36 36 PHE CE1 C 130.648 0.5 3
139 36 36 PHE CE2 C 130.648 0.5 3
140 36 36 PHE N N 115.035 0.5 1
141 37 37 GLY H H 9.179 0.05 1
142 37 37 GLY HA2 H 3.587 0.05 2
143 37 37 GLY HA3 H 4.624 0.05 2
144 37 37 GLY C C 173.960 0.5 1
145 37 37 GLY CA C 43.611 0.5 1
146 37 37 GLY N N 110.705 0.5 1
147 38 38 LYS H H 8.716 0.05 1
148 38 38 LYS HA H 4.219 0.05 1
149 38 38 LYS HB2 H 1.747 0.05 2
150 38 38 LYS HB3 H 1.747 0.05 2
151 38 38 LYS HG2 H 1.419 0.05 2
152 38 38 LYS HG3 H 1.550 0.05 2
153 38 38 LYS HD2 H 1.722 0.05 2
154 38 38 LYS HD3 H 1.722 0.05 2
155 38 38 LYS HE2 H 2.998 0.05 2
156 38 38 LYS HE3 H 2.998 0.05 2
157 38 38 LYS C C 176.364 0.5 1
158 38 38 LYS CA C 57.371 0.5 1
159 38 38 LYS CB C 32.783 0.5 1
160 38 38 LYS CG C 24.589 0.5 1
161 38 38 LYS CD C 28.885 0.5 1
162 38 38 LYS CE C 41.881 0.5 1
163 38 38 LYS N N 123.737 0.5 1
164 39 39 GLU H H 8.582 0.05 1
165 39 39 GLU HA H 4.568 0.05 1
166 39 39 GLU HB2 H 1.993 0.05 2
167 39 39 GLU HB3 H 1.993 0.05 2
168 39 39 GLU HG2 H 2.238 0.05 2
169 39 39 GLU HG3 H 2.370 0.05 2
170 39 39 GLU C C 177.118 0.5 1
171 39 39 GLU CA C 56.716 0.5 1
172 39 39 GLU CB C 30.571 0.5 1
173 39 39 GLU CG C 36.309 0.5 1
174 39 39 GLU N N 126.129 0.5 1
175 40 40 THR H H 8.202 0.05 1
176 40 40 THR HA H 4.543 0.05 1
177 40 40 THR HB H 4.022 0.05 1
178 40 40 THR HG2 H 1.109 0.05 1
179 40 40 THR C C 173.063 0.5 1
180 40 40 THR CA C 61.057 0.5 1
181 40 40 THR CB C 70.968 0.5 1
182 40 40 THR CG2 C 20.722 0.5 1
183 40 40 THR N N 117.595 0.5 1
184 41 41 LYS HA H 4.672 0.05 1
185 41 41 LYS HB2 H 2.634 0.05 2
186 41 41 LYS HB3 H 2.710 0.05 2
187 41 41 LYS CA C 54.311 0.5 1
188 41 41 LYS CB C 41.241 0.5 1
189 42 42 GLY H H 7.904 0.05 1
190 42 42 GLY HA2 H 3.785 0.05 2
191 42 42 GLY HA3 H 4.191 0.05 2
192 42 42 GLY CA C 46.396 0.5 1
193 42 42 GLY N N 115.021 0.5 1
194 43 43 LYS H H 8.323 0.05 1
195 43 43 LYS HA H 4.719 0.05 1
196 43 43 LYS HB2 H 1.679 0.05 2
197 43 43 LYS HB3 H 2.021 0.05 2
198 43 43 LYS HG2 H 1.297 0.05 2
199 43 43 LYS HG3 H 1.297 0.05 2
200 43 43 LYS HD2 H 1.295 0.05 2
201 43 43 LYS HD3 H 1.446 0.05 2
202 43 43 LYS HE2 H 2.652 0.05 2
203 43 43 LYS HE3 H 2.830 0.05 2
204 43 43 LYS CA C 54.505 0.5 1
205 43 43 LYS CB C 34.748 0.5 1
206 43 43 LYS CG C 25.623 0.5 1
207 43 43 LYS CD C 28.812 0.5 1
208 43 43 LYS CE C 42.483 0.5 1
209 43 43 LYS N N 121.239 0.5 1
210 44 44 ARG H H 8.936 0.05 1
211 44 44 ARG HA H 4.474 0.05 1
212 44 44 ARG HB2 H 1.484 0.05 2
213 44 44 ARG HB3 H 1.618 0.05 2
214 44 44 ARG HG2 H 1.416 0.05 2
215 44 44 ARG HG3 H 1.456 0.05 2
216 44 44 ARG HD2 H 2.729 0.05 2
217 44 44 ARG HD3 H 2.823 0.05 2
218 44 44 ARG C C 174.184 0.5 1
219 44 44 ARG CA C 54.423 0.5 1
220 44 44 ARG CB C 32.619 0.5 1
221 44 44 ARG CG C 27.629 0.5 1
222 44 44 ARG CD C 43.666 0.5 1
223 44 44 ARG N N 118.685 0.5 1
224 45 45 ARG H H 8.881 0.05 1
225 45 45 ARG HA H 5.058 0.05 1
226 45 45 ARG HB2 H 1.493 0.05 2
227 45 45 ARG HB3 H 1.493 0.05 2
228 45 45 ARG HG2 H 1.189 0.05 2
229 45 45 ARG HG3 H 1.411 0.05 2
230 45 45 ARG HD2 H 3.292 0.05 2
231 45 45 ARG HD3 H 3.292 0.05 2
232 45 45 ARG C C 174.999 0.5 1
233 45 45 ARG CA C 54.095 0.5 1
234 45 45 ARG CB C 32.298 0.5 1
235 45 45 ARG CG C 28.154 0.5 1
236 45 45 ARG CD C 43.252 0.5 1
237 45 45 ARG N N 126.346 0.5 1
238 46 46 LEU H H 8.858 0.05 1
239 46 46 LEU HA H 4.417 0.05 1
240 46 46 LEU HB2 H 1.213 0.05 2
241 46 46 LEU HB3 H 1.915 0.05 2
242 46 46 LEU HG H 1.638 0.05 1
243 46 46 LEU HD1 H 0.821 0.05 2
244 46 46 LEU C C 173.593 0.5 1
245 46 46 LEU CA C 55.324 0.5 1
246 46 46 LEU CB C 43.775 0.5 1
247 46 46 LEU CG C 27.446 0.5 1
248 46 46 LEU CD1 C 24.898 0.5 1
249 46 46 LEU N N 130.427 0.5 1
250 47 47 VAL H H 8.665 0.05 1
251 47 47 VAL HA H 4.973 0.05 1
252 47 47 VAL HB H 2.059 0.05 1
253 47 47 VAL HG1 H 0.791 0.05 2
254 47 47 VAL HG2 H 0.791 0.05 2
255 47 47 VAL C C 175.529 0.5 1
256 47 47 VAL CA C 60.811 0.5 1
257 47 47 VAL CB C 32.946 0.5 1
258 47 47 VAL CG1 C 20.619 0.5 1
259 47 47 VAL CG2 C 20.619 0.5 1
260 47 47 VAL N N 127.940 0.5 1
261 48 48 ILE H H 9.374 0.05 1
262 48 48 ILE HA H 4.606 0.05 1
263 48 48 ILE HB H 1.540 0.05 1
264 48 48 ILE HG2 H 0.363 0.05 1
265 48 48 ILE HD1 H 0.813 0.05 1
266 48 48 ILE C C 175.732 0.5 1
267 48 48 ILE CA C 60.730 0.5 1
268 48 48 ILE CB C 39.745 0.5 1
269 48 48 ILE CG1 C 27.173 0.5 1
270 48 48 ILE CG2 C 17.707 0.5 1
271 48 48 ILE CD1 C 13.246 0.5 1
272 48 48 ILE N N 124.228 0.5 1
273 49 49 THR H H 9.018 0.05 1
274 49 49 THR HA H 4.557 0.05 1
275 49 49 THR HB H 3.961 0.05 1
276 49 49 THR HG2 H 1.109 0.05 1
277 49 49 THR C C 173.572 0.5 1
278 49 49 THR CA C 60.893 0.5 1
279 49 49 THR CB C 69.821 0.5 1
280 49 49 THR CG2 C 20.449 0.5 1
281 49 49 THR N N 124.978 0.5 1
282 50 50 PRO HA H 4.804 0.05 1
283 50 50 PRO HB2 H 2.012 0.05 2
284 50 50 PRO HB3 H 2.427 0.05 2
285 50 50 PRO HG2 H 1.956 0.05 2
286 50 50 PRO HG3 H 1.956 0.05 2
287 50 50 PRO HD2 H 3.619 0.05 2
288 50 50 PRO HD3 H 4.171 0.05 2
289 50 50 PRO C C 177.913 0.5 1
290 50 50 PRO CA C 62.777 0.5 1
291 50 50 PRO CB C 33.684 0.5 1
292 50 50 PRO CG C 27.741 0.5 1
293 50 50 PRO CD C 52.004 0.5 1
294 51 51 VAL H H 8.584 0.05 1
295 51 51 VAL HA H 4.200 0.05 1
296 51 51 VAL HB H 2.370 0.05 1
297 51 51 VAL HG1 H 0.992 0.05 2
298 51 51 VAL HG2 H 0.922 0.05 2
299 51 51 VAL C C 176.323 0.5 1
300 51 51 VAL CA C 62.777 0.5 1
301 51 51 VAL CB C 31.390 0.5 1
302 51 51 VAL CG1 C 20.984 0.5 1
303 51 51 VAL CG2 C 19.072 0.5 1
304 51 51 VAL N N 116.090 0.5 1
305 52 52 ASP H H 7.756 0.05 1
306 52 52 ASP HA H 4.596 0.05 1
307 52 52 ASP HB2 H 2.568 0.05 2
308 52 52 ASP HB3 H 3.106 0.05 2
309 52 52 ASP C C 177.240 0.5 1
310 52 52 ASP CA C 53.358 0.5 1
311 52 52 ASP CB C 40.826 0.5 1
312 52 52 ASP N N 118.508 0.5 1
313 53 53 GLY H H 7.819 0.05 1
314 53 53 GLY HA2 H 3.794 0.05 2
315 53 53 GLY HA3 H 4.200 0.05 2
316 53 53 GLY C C 174.652 0.5 1
317 53 53 GLY CA C 45.577 0.5 1
318 53 53 GLY N N 107.578 0.5 1
319 54 54 SER H H 7.827 0.05 1
320 54 54 SER HA H 4.426 0.05 1
321 54 54 SER HB2 H 3.964 0.05 2
322 54 54 SER HB3 H 4.040 0.05 2
323 54 54 SER C C 172.696 0.5 1
324 54 54 SER CA C 59.010 0.5 1
325 54 54 SER CB C 63.596 0.5 1
326 54 54 SER N N 115.662 0.5 1
327 55 55 ASP H H 8.114 0.05 1
328 55 55 ASP HB2 H 2.568 0.05 2
329 55 55 ASP HB3 H 2.733 0.05 2
330 55 55 ASP C C 174.102 0.5 1
331 55 55 ASP CA C 53.849 0.5 1
332 55 55 ASP CB C 40.335 0.5 1
333 55 55 ASP N N 119.004 0.5 1
334 56 56 PRO HA H 4.634 0.05 1
335 56 56 PRO HB2 H 1.827 0.05 2
336 56 56 PRO HB3 H 2.278 0.05 2
337 56 56 PRO HG2 H 2.033 0.05 2
338 56 56 PRO HG3 H 2.079 0.05 2
339 56 56 PRO HD2 H 3.560 0.05 2
340 56 56 PRO HD3 H 3.800 0.05 2
341 56 56 PRO C C 175.692 0.5 1
342 56 56 PRO CA C 62.941 0.5 1
343 56 56 PRO CB C 32.455 0.5 1
344 56 56 PRO CG C 27.741 0.5 1
345 56 56 PRO CD C 50.910 0.5 1
346 57 57 TYR H H 8.639 0.05 1
347 57 57 TYR HA H 4.587 0.05 1
348 57 57 TYR HB2 H 2.997 0.05 2
349 57 57 TYR HB3 H 2.997 0.05 2
350 57 57 TYR HD1 H 6.949 0.05 3
351 57 57 TYR HD2 H 6.949 0.05 3
352 57 57 TYR HE1 H 6.885 0.05 3
353 57 57 TYR HE2 H 6.885 0.05 3
354 57 57 TYR C C 173.450 0.5 1
355 57 57 TYR CA C 57.863 0.5 1
356 57 57 TYR CB C 41.727 0.5 1
357 57 57 TYR CD1 C 132.289 0.5 3
358 57 57 TYR CD2 C 132.289 0.5 3
359 57 57 TYR CE1 C 119.714 0.5 3
360 57 57 TYR CE2 C 119.714 0.5 3
361 57 57 TYR N N 124.973 0.5 1
362 58 58 GLU H H 6.719 0.05 1
363 58 58 GLU HA H 5.699 0.05 1
364 58 58 GLU HB2 H 1.737 0.05 2
365 58 58 GLU HB3 H 1.737 0.05 2
366 58 58 GLU HG2 H 2.062 0.05 2
367 58 58 GLU HG3 H 2.132 0.05 2
368 58 58 GLU C C 173.980 0.5 1
369 58 58 GLU CA C 53.686 0.5 1
370 58 58 GLU CB C 34.257 0.5 1
371 58 58 GLU CG C 36.640 0.5 1
372 58 58 GLU N N 124.075 0.5 1
373 59 59 GLU H H 8.854 0.05 1
374 59 59 GLU HA H 4.917 0.05 1
375 59 59 GLU HB2 H 2.438 0.05 2
376 59 59 GLU HB3 H 2.438 0.05 2
377 59 59 GLU C C 174.143 0.5 1
378 59 59 GLU CA C 55.488 0.5 1
379 59 59 GLU CB C 34.667 0.5 1
380 59 59 GLU N N 115.961 0.5 1
381 60 60 MET H H 8.938 0.05 1
382 60 60 MET HA H 4.973 0.05 1
383 60 60 MET HB2 H 1.464 0.05 2
384 60 60 MET HB3 H 1.917 0.05 2
385 60 60 MET HG2 H 2.405 0.05 2
386 60 60 MET HG3 H 2.405 0.05 2
387 60 60 MET HE H 1.835 0.05 1
388 60 60 MET C C 175.305 0.5 1
389 60 60 MET CA C 53.849 0.5 1
390 60 60 MET CB C 34.830 0.5 1
391 60 60 MET CG C 32.197 0.5 1
392 60 60 MET CE C 17.470 0.5 1
393 60 60 MET N N 117.652 0.5 1
394 61 61 ILE H H 8.942 0.05 1
395 61 61 ILE HA H 4.493 0.05 1
396 61 61 ILE HB H 1.478 0.05 1
397 61 61 ILE CA C 54.500 0.5 1
398 61 61 ILE CB C 32.420 0.5 1
399 61 61 ILE N N 118.458 0.5 1
400 62 62 PRO HA H 4.326 0.05 1
401 62 62 PRO C C 178.789 0.5 1
402 62 62 PRO CA C 63.351 0.5 1
403 63 63 LYS H H 8.629 0.05 1
404 63 63 LYS HA H 3.794 0.05 1
405 63 63 LYS HB2 H 1.682 0.05 2
406 63 63 LYS HB3 H 1.681 0.05 2
407 63 63 LYS HG2 H 1.284 0.05 2
408 63 63 LYS HG3 H 1.309 0.05 2
409 63 63 LYS HD2 H 1.521 0.05 2
410 63 63 LYS HD3 H 1.521 0.05 2
411 63 63 LYS HE2 H 2.870 0.05 2
412 63 63 LYS HE3 H 2.870 0.05 2
413 63 63 LYS C C 175.284 0.5 1
414 63 63 LYS CA C 58.928 0.5 1
415 63 63 LYS CB C 31.882 0.5 1
416 63 63 LYS CG C 25.595 0.5 1
417 63 63 LYS CD C 29.251 0.5 1
418 63 63 LYS CE C 41.515 0.5 1
419 63 63 LYS N N 122.363 0.5 1
420 64 64 TRP H H 6.689 0.05 1
421 64 64 TRP HA H 4.558 0.05 1
422 64 64 TRP HB2 H 3.181 0.05 2
423 64 64 TRP HB3 H 3.596 0.05 2
424 64 64 TRP HD1 H 7.363 0.05 1
425 64 64 TRP HE1 H 10.885 0.05 1
426 64 64 TRP HE3 H 7.490 0.05 1
427 64 64 TRP HZ2 H 7.485 0.05 1
428 64 64 TRP HZ3 H 7.170 0.05 1
429 64 64 TRP HH2 H 7.220 0.05 1
430 64 64 TRP C C 177.281 0.5 1
431 64 64 TRP CA C 55.979 0.5 1
432 64 64 TRP CB C 28.524 0.5 1
433 64 64 TRP CD1 C 127.915 0.5 1
434 64 64 TRP CD2 C 127.915 0.5 1
435 64 64 TRP CE3 C 120.807 0.5 1
436 64 64 TRP CZ2 C 114.793 0.5 1
437 64 64 TRP CZ3 C 122.994 0.5 1
438 64 64 TRP CH2 C 125.181 0.5 1
439 64 64 TRP N N 110.966 0.5 1
440 64 64 TRP NE1 N 132.770 0.5 1
441 65 65 ARG H H 6.450 0.05 1
442 65 65 ARG HA H 4.172 0.05 1
443 65 65 ARG HB2 H 1.342 0.05 2
444 65 65 ARG HB3 H 1.342 0.05 2
445 65 65 ARG HG2 H 0.303 0.05 2
446 65 65 ARG HG3 H 1.536 0.05 2
447 65 65 ARG C C 176.059 0.5 1
448 65 65 ARG CA C 55.324 0.5 1
449 65 65 ARG CB C 28.520 0.5 1
450 65 65 ARG CG C 31.120 0.5 1
451 65 65 ARG N N 120.429 0.5 1
452 66 66 GLN H H 9.430 0.05 1
453 66 66 GLN HA H 4.285 0.05 1
454 66 66 GLN HB2 H 2.115 0.05 2
455 66 66 GLN HB3 H 2.115 0.05 2
456 66 66 GLN HG2 H 2.446 0.05 2
457 66 66 GLN HG3 H 2.446 0.05 2
458 66 66 GLN C C 176.283 0.5 1
459 66 66 GLN CA C 55.651 0.5 1
460 66 66 GLN CB C 28.933 0.5 1
461 66 66 GLN CG C 33.818 0.5 1
462 66 66 GLN N N 125.132 0.5 1
463 67 67 LEU H H 8.971 0.05 1
464 67 67 LEU HA H 4.973 0.05 1
465 67 67 LEU HB2 H 1.455 0.05 2
466 67 67 LEU HB3 H 1.908 0.05 2
467 67 67 LEU HG H 1.668 0.05 1
468 67 67 LEU HD1 H 0.719 0.05 2
469 67 67 LEU HD2 H 0.678 0.05 2
470 67 67 LEU C C 177.179 0.5 1
471 67 67 LEU CA C 53.686 0.5 1
472 67 67 LEU CB C 43.939 0.5 1
473 67 67 LEU CG C 27.057 0.5 1
474 67 67 LEU CD1 C 25.808 0.5 1
475 67 67 LEU CD2 C 22.804 0.5 1
476 67 67 LEU N N 127.081 0.5 1
477 68 68 ASN H H 8.898 0.05 1
478 68 68 ASN HA H 4.775 0.05 1
479 68 68 ASN HB2 H 2.483 0.05 2
480 68 68 ASN HB3 H 3.021 0.05 2
481 68 68 ASN C C 174.265 0.5 1
482 68 68 ASN CA C 52.950 0.5 1
483 68 68 ASN CB C 39.499 0.5 1
484 68 68 ASN N N 118.458 0.5 1
485 69 69 VAL H H 6.792 0.05 1
486 69 69 VAL HA H 4.813 0.05 1
487 69 69 VAL HB H 2.030 0.05 1
488 69 69 VAL HG1 H 0.846 0.05 2
489 69 69 VAL HG2 H 0.802 0.05 2
490 69 69 VAL C C 173.389 0.5 1
491 69 69 VAL CA C 58.272 0.5 1
492 69 69 VAL CB C 34.912 0.5 1
493 69 69 VAL CG1 C 21.939 0.5 1
494 69 69 VAL CG2 C 18.923 0.5 1
495 69 69 VAL N N 109.381 0.5 1
496 70 70 PHE H H 8.261 0.05 1
497 70 70 PHE HA H 4.898 0.05 1
498 70 70 PHE HB2 H 2.908 0.05 2
499 70 70 PHE HB3 H 3.228 0.05 2
500 70 70 PHE HD1 H 7.370 0.05 3
501 70 70 PHE HD2 H 7.370 0.05 3
502 70 70 PHE HZ H 7.356 0.05 1
503 70 70 PHE C C 174.591 0.5 1
504 70 70 PHE CA C 55.569 0.5 1
505 70 70 PHE CB C 41.727 0.5 1
506 70 70 PHE CD1 C 132.289 0.5 3
507 70 70 PHE CD2 C 132.289 0.5 3
508 70 70 PHE CZ C 127.915 0.5 1
509 70 70 PHE N N 118.947 0.5 1
510 71 71 GLU H H 8.706 0.05 1
511 71 71 GLU HA H 3.775 0.05 1
512 71 71 GLU HB2 H 2.096 0.05 2
513 71 71 GLU HB3 H 2.162 0.05 2
514 71 71 GLU C C 177.200 0.5 1
515 71 71 GLU CA C 58.424 0.5 1
516 71 71 GLU CB C 29.752 0.5 1
517 71 71 GLU N N 119.246 0.5 1
518 72 72 GLY H H 9.345 0.05 1
519 72 72 GLY HA2 H 3.577 0.05 2
520 72 72 GLY HA3 H 4.426 0.05 2
521 72 72 GLY C C 174.204 0.5 1
522 72 72 GLY CA C 44.922 0.5 1
523 72 72 GLY N N 114.762 0.5 1
524 73 73 GLU H H 7.866 0.05 1
525 73 73 GLU HA H 4.190 0.05 1
526 73 73 GLU HB2 H 1.804 0.05 2
527 73 73 GLU HB3 H 1.889 0.05 2
528 73 73 GLU HG2 H 2.251 0.05 2
529 73 73 GLU HG3 H 2.360 0.05 2
530 73 73 GLU C C 174.836 0.5 1
531 73 73 GLU CA C 56.880 0.5 1
532 73 73 GLU CB C 30.899 0.5 1
533 73 73 GLU CG C 37.004 0.5 1
534 73 73 GLU N N 121.519 0.5 1
535 74 74 ARG H H 8.446 0.05 1
536 74 74 ARG HA H 4.870 0.05 1
537 74 74 ARG HB2 H 1.634 0.05 2
538 74 74 ARG HB3 H 1.832 0.05 2
539 74 74 ARG HG2 H 1.482 0.05 2
540 74 74 ARG HG3 H 1.482 0.05 2
541 74 74 ARG HD2 H 3.111 0.05 2
542 74 74 ARG HD3 H 3.186 0.05 2
543 74 74 ARG C C 176.222 0.5 1
544 74 74 ARG CA C 55.488 0.5 1
545 74 74 ARG CB C 31.145 0.5 1
546 74 74 ARG CG C 27.811 0.5 1
547 74 74 ARG CD C 43.393 0.5 1
548 74 74 ARG N N 122.680 0.5 1
549 75 75 VAL H H 9.151 0.05 1
550 75 75 VAL HA H 4.738 0.05 1
551 75 75 VAL HB H 2.078 0.05 1
552 75 75 VAL HG1 H 0.850 0.05 2
553 75 75 VAL HG2 H 0.800 0.05 2
554 75 75 VAL C C 174.877 0.5 1
555 75 75 VAL CA C 58.846 0.5 1
556 75 75 VAL CB C 35.076 0.5 1
557 75 75 VAL CG1 C 21.847 0.5 1
558 75 75 VAL CG2 C 19.014 0.5 1
559 75 75 VAL N N 118.810 0.5 1
560 76 76 GLU H H 8.787 0.05 1
561 76 76 GLU HA H 4.615 0.05 1
562 76 76 GLU HB2 H 1.729 0.05 2
563 76 76 GLU HB3 H 1.927 0.05 2
564 76 76 GLU HG2 H 2.222 0.05 2
565 76 76 GLU HG3 H 2.357 0.05 2
566 76 76 GLU C C 175.631 0.5 1
567 76 76 GLU CA C 53.112 0.5 1
568 76 76 GLU CB C 31.390 0.5 1
569 76 76 GLU CG C 35.639 0.5 1
570 76 76 GLU N N 123.487 0.5 1
571 77 77 ARG H H 8.160 0.05 1
572 77 77 ARG HA H 3.351 0.05 1
573 77 77 ARG HB2 H 1.361 0.05 2
574 77 77 ARG HB3 H 1.566 0.05 2
575 77 77 ARG HG2 H 1.252 0.05 2
576 77 77 ARG HG3 H 1.445 0.05 2
577 77 77 ARG HD2 H 3.083 0.05 2
578 77 77 ARG HD3 H 3.217 0.05 2
579 77 77 ARG C C 177.220 0.5 1
580 77 77 ARG CA C 57.693 0.5 1
581 77 77 ARG CB C 29.342 0.5 1
582 77 77 ARG CG C 26.627 0.5 1
583 77 77 ARG CD C 43.211 0.5 1
584 77 77 ARG N N 122.407 0.5 1
585 78 78 GLY H H 9.194 0.05 1
586 78 78 GLY HA2 H 3.436 0.05 2
587 78 78 GLY HA3 H 4.398 0.05 2
588 78 78 GLY C C 173.715 0.5 1
589 78 78 GLY CA C 44.840 0.5 1
590 78 78 GLY N N 116.273 0.5 1
591 79 79 ASP H H 8.400 0.05 1
592 79 79 ASP HA H 4.540 0.05 1
593 79 79 ASP HB2 H 2.634 0.05 2
594 79 79 ASP HB3 H 2.634 0.05 2
595 79 79 ASP C C 176.099 0.5 1
596 79 79 ASP CA C 54.669 0.5 1
597 79 79 ASP CB C 40.826 0.5 1
598 79 79 ASP N N 121.442 0.5 1
599 80 80 VAL H H 8.658 0.05 1
600 80 80 VAL HA H 3.800 0.05 1
601 80 80 VAL HB H 1.974 0.05 1
602 80 80 VAL HG1 H 0.948 0.05 2
603 80 80 VAL HG2 H 0.752 0.05 2
604 80 80 VAL C C 175.957 0.5 1
605 80 80 VAL CA C 64.255 0.5 1
606 80 80 VAL CB C 31.533 0.5 1
607 80 80 VAL CG1 C 21.547 0.5 1
608 80 80 VAL CG2 C 21.547 0.5 1
609 80 80 VAL N N 120.501 0.5 1
610 81 81 ILE H H 8.905 0.05 1
611 81 81 ILE HA H 4.228 0.05 1
612 81 81 ILE HB H 1.695 0.05 1
613 81 81 ILE HG12 H 1.181 0.05 1
614 81 81 ILE HG13 H 1.354 0.05 1
615 81 81 ILE HG2 H 0.803 0.05 1
616 81 81 ILE HD1 H 0.724 0.05 1
617 81 81 ILE C C 175.957 0.5 1
618 81 81 ILE CA C 61.785 0.5 1
619 81 81 ILE CB C 37.30 0.5 1
620 81 81 ILE CG1 C 26.917 0.5 1
621 81 81 ILE CG2 C 17.086 0.5 1
622 81 81 ILE CD1 C 11.989 0.5 1
623 81 81 ILE N N 128.523 0.5 1
624 82 82 SER H H 7.671 0.05 1
625 82 82 SER HA H 4.851 0.05 1
626 82 82 SER HB2 H 3.332 0.05 2
627 82 82 SER HB3 H 3.804 0.05 2
628 82 82 SER C C 173.959 0.5 1
629 82 82 SER CA C 57.289 0.5 1
630 82 82 SER CB C 64.825 0.5 1
631 82 82 SER N N 112.225 0.5 1
632 83 83 ASP H H 9.076 0.05 1
633 83 83 ASP HA H 4.521 0.05 1
634 83 83 ASP HB2 H 2.634 0.05 2
635 83 83 ASP HB3 H 2.681 0.05 2
636 83 83 ASP C C 175.427 0.5 1
637 83 83 ASP CA C 55.078 0.5 1
638 83 83 ASP CB C 41.727 0.5 1
639 83 83 ASP N N 129.556 0.5 1
640 84 84 GLY H H 7.832 0.05 1
641 84 84 GLY C C 177.771 0.5 1
642 84 84 GLY CA C 46.806 0.5 1
643 84 84 GLY N N 113.648 0.5 1
stop_
save_