data_17028
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The Solution Structure of the C-terminal Ig-like Domain of the Bacteriophage Lambda Tail Tube Protein
;
_BMRB_accession_number 17028
_BMRB_flat_file_name bmr17028.str
_Entry_type original
_Submission_date 2010-06-30
_Accession_date 2010-06-30
_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 Pell Lisa G. .
2 Gasmi-Seabrook Genevieve M.C. .
3 Donaldson Logan W. .
4 Howell 'P Lynne' . .
5 Davidson Alan R. .
6 Maxwell Karen L. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 436
"13C chemical shifts" 343
"15N chemical shifts" 91
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-10-14 update BMRB 'update entry citation'
2010-09-24 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The Solution Structure of the C-Terminal Ig-like Domain of the Bacteriophage Tail Tube Protein.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 20826161
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Pell Lisa G. .
2 Gasmi-Seabrook Genevieve M.C. .
3 Morais Marc . .
4 Neudecker Philipp . .
5 Kanelis Voula . .
6 Bona Diane . .
7 Donaldson Logan W. .
8 Edwards Aled M. .
9 Howell 'P. Lynne' . .
10 Davidson Alan R. .
11 Maxwell Karen L. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_name_full 'Journal of molecular biology'
_Journal_volume 403
_Journal_issue 3
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 468
_Page_last 479
_Year 2010
_Details .
loop_
_Keyword
'bacteriophage lambda'
gpV
'phage tail'
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Bacteriophage Lambda Tail Tube-gpV-C'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
gpV-C $gpV-C
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_gpV-C
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common gpV-C
_Molecular_mass 8882.101
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 91
_Mol_residue_sequence
;
GAMAAATGMTVTPASTSVVK
GQSTTLTVAFQPEGVTDKSF
RAVSADKTKATVSVSGMTIT
VNGVAAGKVNIPVVSGNGEF
AAVAEITVTAS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 156 GLY 2 157 ALA 3 158 MET 4 159 ALA 5 160 ALA
6 161 ALA 7 162 THR 8 163 GLY 9 164 MET 10 165 THR
11 166 VAL 12 167 THR 13 168 PRO 14 169 ALA 15 170 SER
16 171 THR 17 172 SER 18 173 VAL 19 174 VAL 20 175 LYS
21 176 GLY 22 177 GLN 23 178 SER 24 179 THR 25 180 THR
26 181 LEU 27 182 THR 28 183 VAL 29 184 ALA 30 185 PHE
31 186 GLN 32 187 PRO 33 188 GLU 34 189 GLY 35 190 VAL
36 191 THR 37 192 ASP 38 193 LYS 39 194 SER 40 195 PHE
41 196 ARG 42 197 ALA 43 198 VAL 44 199 SER 45 200 ALA
46 201 ASP 47 202 LYS 48 203 THR 49 204 LYS 50 205 ALA
51 206 THR 52 207 VAL 53 208 SER 54 209 VAL 55 210 SER
56 211 GLY 57 212 MET 58 213 THR 59 214 ILE 60 215 THR
61 216 VAL 62 217 ASN 63 218 GLY 64 219 VAL 65 220 ALA
66 221 ALA 67 222 GLY 68 223 LYS 69 224 VAL 70 225 ASN
71 226 ILE 72 227 PRO 73 228 VAL 74 229 VAL 75 230 SER
76 231 GLY 77 232 ASN 78 233 GLY 79 234 GLU 80 235 PHE
81 236 ALA 82 237 ALA 83 238 VAL 84 239 ALA 85 240 GLU
86 241 ILE 87 242 THR 88 243 VAL 89 244 THR 90 245 ALA
91 246 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-09-09
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2L04 "The Solution Structure Of The C-terminal Ig-like Domain Of The Bacteriophage Lambda Tail Tube Protein" 100.00 91 100.00 100.00 2.38e-52
DBJ BAG77580 "putative phage tail component [Escherichia coli SE11]" 95.60 246 97.70 97.70 6.48e-46
DBJ BAI29415 "putative major tail protein [Escherichia coli O103:H2 str. 12009]" 95.60 239 98.85 100.00 2.53e-47
EMBL CAP75673 "tail component of prophage [Escherichia coli LF82]" 95.60 246 97.70 98.85 1.35e-46
EMBL CAQ31259 "enterobacteria phage lambda, tail component [Escherichia coli BL21(DE3)]" 95.60 246 100.00 100.00 1.50e-47
EMBL CAR01926 "Major tail protein V [Escherichia coli S88]" 95.60 256 98.85 98.85 1.19e-46
EMBL CAR02528 "Major tail protein V [Escherichia coli S88]" 95.60 256 98.85 98.85 1.19e-46
EMBL CAR16659 "Major tail protein V [Escherichia coli IAI39]" 95.60 256 98.85 98.85 1.01e-46
GB AAA96545 "V (tail component;256) [Enterobacteria phage lambda]" 95.60 246 100.00 100.00 1.50e-47
GB ACF32394 "tail component [Enterobacteria phage DE3]" 95.60 246 100.00 100.00 1.50e-47
GB ACR63704 "Major tail protein V [Escherichia coli BW2952]" 95.60 246 100.00 100.00 1.50e-47
GB ACT29881 "Ig domain protein group 2 domain protein [Escherichia coli 'BL21-Gold(DE3)pLysS AG']" 95.60 246 100.00 100.00 1.50e-47
GB ACT42628 "tail component [Escherichia coli BL21(DE3)]" 95.60 246 100.00 100.00 1.50e-47
REF NP_040592 "tail component [Enterobacteria phage lambda]" 95.60 246 100.00 100.00 1.50e-47
REF WP_000056728 "tail protein [Escherichia coli]" 95.60 256 98.85 98.85 1.01e-46
REF WP_000306529 "phage tail protein, partial [Escherichia coli]" 95.60 209 100.00 100.00 3.64e-48
REF WP_000419939 "phage tail protein, partial [Escherichia coli]" 95.60 235 100.00 100.00 6.03e-48
REF WP_001297108 "tail protein [Escherichia coli]" 95.60 239 100.00 100.00 9.38e-48
SP P03733 "RecName: Full=Tail tube protein; Short=TTP; AltName: Full=Gene product V; Short=gpV; AltName: Full=Major tail protein V [Entero" 95.60 246 100.00 100.00 1.50e-47
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$gpV-C 'Bacteriophage lambda' 10710 Viruses . Bacteriophage lambda
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
$gpV-C 'recombinant technology' . Escherichia coli . pET32b
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$gpV-C . mM 0.71 2.5 '15N, 13C'
'sodium phosphate' 50 mM . . 'natural abundance'
'sodium chloride' 200 mM . . 'natural abundance'
H20 90 % . . 'natural abundance'
D20 10 % . . 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
D20 100 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_2
save_
save_3D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_2
save_
save_3D_H(CCO)NH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_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' 0.2 . M
pH 6.8 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D CBCA(CO)NH'
'3D HNCACB'
'3D HCCH-TOCSY'
'3D HNCO'
'3D C(CO)NH'
'3D H(CCO)NH'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name gpV-C
_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
1 157 2 ALA HA H 4.367 . 1
2 157 2 ALA HB H 1.387 . 1
3 157 2 ALA CA C 52.656 . 1
4 157 2 ALA CB C 19.230 . 1
5 158 3 MET H H 8.426 . 1
6 158 3 MET HA H 4.474 . 1
7 158 3 MET HB2 H 2.581 . 2
8 158 3 MET HB3 H 2.045 . 2
9 158 3 MET HG2 H 2.581 . 2
10 158 3 MET HG3 H 2.582 . 2
11 158 3 MET C C 175.608 . 1
12 158 3 MET CA C 55.449 . 1
13 158 3 MET CB C 32.974 . 1
14 158 3 MET CG C 37.853 . 1
15 158 3 MET N N 120.093 . 1
16 159 4 ALA H H 8.288 . 1
17 159 4 ALA HA H 4.397 . 1
18 159 4 ALA HB H 1.325 . 1
19 159 4 ALA C C 176.517 . 1
20 159 4 ALA CA C 51.836 . 1
21 159 4 ALA CB C 19.478 . 1
22 159 4 ALA N N 126.044 . 1
23 160 5 ALA H H 8.100 . 1
24 160 5 ALA HA H 4.460 . 1
25 160 5 ALA HB H 1.436 . 1
26 160 5 ALA C C 176.887 . 1
27 160 5 ALA CA C 51.492 . 1
28 160 5 ALA CB C 20.016 . 1
29 160 5 ALA N N 124.397 . 1
30 161 6 ALA H H 8.599 . 1
31 161 6 ALA HA H 4.794 . 1
32 161 6 ALA HB H 1.680 . 1
33 161 6 ALA C C 178.439 . 1
34 161 6 ALA CA C 52.696 . 1
35 161 6 ALA CB C 19.813 . 1
36 161 6 ALA N N 122.502 . 1
37 162 7 THR H H 9.698 . 1
38 162 7 THR HA H 4.595 . 1
39 162 7 THR HB H 4.442 . 1
40 162 7 THR HG2 H 1.235 . 1
41 162 7 THR C C 174.754 . 1
42 162 7 THR CA C 61.572 . 1
43 162 7 THR CB C 69.775 . 1
44 162 7 THR CG2 C 20.954 . 1
45 162 7 THR N N 111.337 . 1
46 163 8 GLY H H 7.499 . 1
47 163 8 GLY HA2 H 3.734 . 2
48 163 8 GLY HA3 H 3.203 . 2
49 163 8 GLY C C 169.372 . 1
50 163 8 GLY CA C 45.364 . 1
51 163 8 GLY N N 110.831 . 1
52 164 9 MET H H 7.668 . 1
53 164 9 MET HA H 4.689 . 1
54 164 9 MET HB2 H 1.492 . 1
55 164 9 MET HB3 H 1.273 . 2
56 164 9 MET HE H 1.485 . 1
57 164 9 MET HE H 1.484 . 1
58 164 9 MET HG2 H 0.795 . 1
59 164 9 MET HG3 H 1.404 . 2
60 164 9 MET C C 174.332 . 1
61 164 9 MET CA C 54.839 . 1
62 164 9 MET CB C 37.148 . 1
63 164 9 MET CE C 17.226 . 1
64 164 9 MET CG C 31.079 . 1
65 164 9 MET N N 118.729 . 1
66 165 10 THR H H 9.003 . 1
67 165 10 THR HA H 4.495 . 1
68 165 10 THR HB H 3.983 . 1
69 165 10 THR HG2 H 0.989 . 1
70 165 10 THR C C 172.541 . 1
71 165 10 THR CA C 59.257 . 1
72 165 10 THR CB C 72.388 . 1
73 165 10 THR CG2 C 20.516 . 1
74 165 10 THR N N 115.678 . 1
75 166 11 VAL H H 8.140 . 1
76 166 11 VAL HA H 4.572 . 1
77 166 11 VAL HB H 1.526 . 1
78 166 11 VAL HG1 H 0.626 . 4
79 166 11 VAL HG2 H 0.682 . 4
80 166 11 VAL C C 173.672 . 1
81 166 11 VAL CA C 60.257 . 1
82 166 11 VAL CB C 34.456 . 1
83 166 11 VAL CG1 C 22.540 . 2
84 166 11 VAL CG2 C 20.945 . 1
85 166 11 VAL N N 119.434 . 1
86 167 12 THR H H 8.395 . 1
87 167 12 THR HB H 3.828 . 1
88 167 12 THR CA C 58.754 . 1
89 167 12 THR CB C 71.882 . 1
90 167 12 THR N N 120.496 . 1
91 168 13 PRO HA H 4.815 . 1
92 168 13 PRO HB2 H 2.539 . 2
93 168 13 PRO HB3 H 2.152 . 2
94 168 13 PRO HD2 H 4.062 . 2
95 168 13 PRO HD3 H 3.527 . 2
96 168 13 PRO HG2 H 2.044 . 2
97 168 13 PRO HG3 H 1.722 . 2
98 168 13 PRO C C 173.712 . 1
99 168 13 PRO CA C 63.238 . 1
100 168 13 PRO CB C 34.695 . 1
101 168 13 PRO CD C 50.459 . 1
102 168 13 PRO CG C 25.243 . 1
103 169 14 ALA H H 8.401 . 1
104 169 14 ALA HA H 4.178 . 1
105 169 14 ALA HB H 1.549 . 1
106 169 14 ALA C C 178.050 . 1
107 169 14 ALA CA C 53.882 . 1
108 169 14 ALA CB C 18.929 . 1
109 169 14 ALA N N 119.536 . 1
110 170 15 SER H H 7.452 . 1
111 170 15 SER HA H 5.498 . 1
112 170 15 SER HB2 H 3.824 . 2
113 170 15 SER HB3 H 3.823 . 2
114 170 15 SER C C 173.745 . 1
115 170 15 SER CA C 56.291 . 1
116 170 15 SER CB C 64.633 . 1
117 170 15 SER N N 110.297 . 1
118 171 16 THR H H 8.286 . 1
119 171 16 THR HA H 4.719 . 1
120 171 16 THR HB H 4.189 . 1
121 171 16 THR HG2 H 0.893 . 1
122 171 16 THR C C 171.485 . 1
123 171 16 THR CA C 60.683 . 1
124 171 16 THR CB C 68.164 . 1
125 171 16 THR CG2 C 18.328 . 1
126 171 16 THR N N 116.575 . 1
127 172 17 SER H H 8.239 . 1
128 172 17 SER HA H 5.916 . 1
129 172 17 SER HB2 H 3.786 . 2
130 172 17 SER HB3 H 3.785 . 2
131 172 17 SER C C 172.219 . 1
132 172 17 SER CA C 56.245 . 1
133 172 17 SER CB C 66.300 . 1
134 172 17 SER N N 117.427 . 1
135 173 18 VAL H H 8.892 . 1
136 173 18 VAL HA H 4.431 . 1
137 173 18 VAL HB H 1.777 . 1
138 173 18 VAL HG1 H 0.639 . 4
139 173 18 VAL HG2 H 0.889 . 4
140 173 18 VAL C C 171.570 . 1
141 173 18 VAL CA C 59.460 . 1
142 173 18 VAL CB C 35.443 . 1
143 173 18 VAL CG1 C 19.846 . 2
144 173 18 VAL CG2 C 19.846 . 2
145 173 18 VAL N N 121.471 . 1
146 174 19 VAL H H 8.076 . 1
147 174 19 VAL HA H 4.181 . 1
148 174 19 VAL HB H 1.505 . 1
149 174 19 VAL HG1 H 0.832 . 4
150 174 19 VAL HG2 H 0.833 . 4
151 174 19 VAL C C 176.004 . 1
152 174 19 VAL CA C 61.812 . 1
153 174 19 VAL CB C 32.474 . 1
154 174 19 VAL CG1 C 21.416 . 2
155 174 19 VAL CG2 C 21.416 . 2
156 174 19 VAL N N 128.646 . 1
157 175 20 LYS H H 8.598 . 1
158 175 20 LYS HA H 3.362 . 1
159 175 20 LYS HB2 H 1.516 . 2
160 175 20 LYS HB3 H 1.517 . 2
161 175 20 LYS HD2 H 1.676 . 2
162 175 20 LYS HD3 H 1.675 . 2
163 175 20 LYS HE2 H 3.108 . 2
164 175 20 LYS HE3 H 3.107 . 2
165 175 20 LYS HG2 H 1.239 . 2
166 175 20 LYS HG3 H 1.238 . 2
167 175 20 LYS C C 176.137 . 1
168 175 20 LYS CA C 58.861 . 1
169 175 20 LYS CB C 32.685 . 1
170 175 20 LYS CD C 30.449 . 1
171 175 20 LYS CE C 41.990 . 1
172 175 20 LYS CG C 23.656 . 1
173 175 20 LYS N N 125.468 . 1
174 176 21 GLY H H 8.748 . 1
175 176 21 GLY HA2 H 4.344 . 2
176 176 21 GLY HA3 H 3.750 . 2
177 176 21 GLY C C 173.794 . 1
178 176 21 GLY CA C 45.054 . 1
179 176 21 GLY N N 114.658 . 1
180 177 22 GLN H H 8.578 . 1
181 177 22 GLN HA H 4.736 . 1
182 177 22 GLN HB2 H 2.412 . 2
183 177 22 GLN HB3 H 2.227 . 2
184 177 22 GLN HE21 H 7.584 . 2
185 177 22 GLN HE22 H 6.910 . 2
186 177 22 GLN HG2 H 2.287 . 2
187 177 22 GLN HG3 H 2.286 . 2
188 177 22 GLN C C 173.797 . 1
189 177 22 GLN CA C 53.895 . 1
190 177 22 GLN CB C 30.244 . 1
191 177 22 GLN CG C 33.750 . 1
192 177 22 GLN N N 120.192 . 1
193 177 22 GLN NE2 N 112.693 . 1
194 178 23 SER H H 8.239 . 1
195 178 23 SER HA H 5.948 . 1
196 178 23 SER HB2 H 3.794 . 2
197 178 23 SER HB3 H 3.589 . 2
198 178 23 SER C C 173.990 . 1
199 178 23 SER CA C 56.538 . 1
200 178 23 SER CB C 66.812 . 1
201 178 23 SER N N 112.520 . 1
202 179 24 THR H H 8.909 . 1
203 179 24 THR HA H 4.862 . 1
204 179 24 THR HB H 4.056 . 1
205 179 24 THR HG2 H 0.874 . 1
206 179 24 THR C C 172.030 . 1
207 179 24 THR CA C 59.992 . 1
208 179 24 THR CB C 69.666 . 1
209 179 24 THR CG2 C 18.054 . 1
210 179 24 THR N N 116.545 . 1
211 180 25 THR H H 7.840 . 1
212 180 25 THR HA H 5.588 . 1
213 180 25 THR HB H 3.963 . 1
214 180 25 THR HG2 H 1.125 . 1
215 180 25 THR C C 173.417 . 1
216 180 25 THR CA C 60.242 . 1
217 180 25 THR CB C 71.722 . 1
218 180 25 THR CG2 C 21.670 . 1
219 180 25 THR N N 113.872 . 1
220 181 26 LEU H H 9.398 . 1
221 181 26 LEU HA H 5.038 . 1
222 181 26 LEU HB2 H 1.495 . 2
223 181 26 LEU HB3 H 1.253 . 2
224 181 26 LEU HD1 H 0.507 . 2
225 181 26 LEU HD2 H 0.508 . 2
226 181 26 LEU HG H 0.735 . 1
227 181 26 LEU C C 176.265 . 1
228 181 26 LEU CA C 52.560 . 1
229 181 26 LEU CB C 44.509 . 1
230 181 26 LEU CD1 C 27.423 . 2
231 181 26 LEU CD2 C 25.579 . 2
232 181 26 LEU CG C 22.333 . 1
233 181 26 LEU N N 122.108 . 1
234 182 27 THR H H 9.058 . 1
235 182 27 THR HA H 4.966 . 1
236 182 27 THR HB H 3.805 . 1
237 182 27 THR HG2 H 1.083 . 1
238 182 27 THR C C 174.072 . 1
239 182 27 THR CA C 62.353 . 1
240 182 27 THR CB C 70.907 . 1
241 182 27 THR CG2 C 21.062 . 1
242 182 27 THR N N 116.707 . 1
243 183 28 VAL H H 9.043 . 1
244 183 28 VAL HA H 4.390 . 1
245 183 28 VAL HB H 1.328 . 1
246 183 28 VAL HG1 H -0.018 . 4
247 183 28 VAL HG2 H 0.042 . 4
248 183 28 VAL C C 173.353 . 1
249 183 28 VAL CA C 61.551 . 1
250 183 28 VAL CB C 32.367 . 1
251 183 28 VAL CG1 C 20.945 . 1
252 183 28 VAL CG2 C 22.873 . 2
253 183 28 VAL N N 132.157 . 1
254 184 29 ALA H H 8.326 . 1
255 184 29 ALA HA H 4.623 . 1
256 184 29 ALA HB H 1.132 . 1
257 184 29 ALA C C 174.674 . 1
258 184 29 ALA CA C 51.031 . 1
259 184 29 ALA CB C 22.683 . 1
260 184 29 ALA N N 126.900 . 1
261 185 30 PHE H H 8.709 . 1
262 185 30 PHE HA H 4.861 . 1
263 185 30 PHE HB2 H 2.883 . 2
264 185 30 PHE HB3 H 2.699 . 2
265 185 30 PHE HD1 H 7.141 . 3
266 185 30 PHE HD2 H 7.141 . 3
267 185 30 PHE C C 174.670 . 1
268 185 30 PHE CA C 57.039 . 1
269 185 30 PHE CB C 42.280 . 1
270 185 30 PHE CD1 C 130.074 . 3
271 185 30 PHE CD2 C 130.074 . 3
272 185 30 PHE N N 118.760 . 1
273 186 31 GLN H H 7.960 . 1
274 186 31 GLN HA H 4.451 . 1
275 186 31 GLN HB2 H 1.740 . 2
276 186 31 GLN HB3 H 1.615 . 2
277 186 31 GLN HE21 H 7.061 . 2
278 186 31 GLN HE22 H 6.005 . 2
279 186 31 GLN HG2 H 2.147 . 2
280 186 31 GLN HG3 H 2.021 . 2
281 186 31 GLN CA C 53.763 . 1
282 186 31 GLN CB C 30.258 . 1
283 186 31 GLN CG C 34.225 . 1
284 186 31 GLN N N 119.249 . 1
285 186 31 GLN NE2 N 110.647 . 1
286 187 32 PRO HA H 4.689 . 1
287 187 32 PRO HB2 H 2.356 . 2
288 187 32 PRO HB3 H 2.355 . 2
289 187 32 PRO HD2 H 3.642 . 2
290 187 32 PRO HD3 H 3.641 . 2
291 187 32 PRO HG2 H 1.967 . 2
292 187 32 PRO HG3 H 1.585 . 2
293 187 32 PRO C C 175.247 . 1
294 187 32 PRO CA C 62.558 . 1
295 187 32 PRO CB C 34.748 . 1
296 187 32 PRO CD C 49.885 . 1
297 187 32 PRO CG C 24.782 . 1
298 188 33 GLU H H 8.373 . 1
299 188 33 GLU HA H 4.205 . 1
300 188 33 GLU HB2 H 2.036 . 2
301 188 33 GLU HB3 H 2.037 . 2
302 188 33 GLU HG2 H 2.359 . 2
303 188 33 GLU HG3 H 2.364 . 2
304 188 33 GLU C C 177.814 . 1
305 188 33 GLU CA C 58.576 . 1
306 188 33 GLU CB C 29.678 . 1
307 188 33 GLU CG C 36.420 . 1
308 188 33 GLU N N 117.395 . 1
309 189 34 GLY H H 8.489 . 1
310 189 34 GLY HA2 H 4.004 . 2
311 189 34 GLY HA3 H 3.830 . 2
312 189 34 GLY C C 174.712 . 1
313 189 34 GLY CA C 45.423 . 1
314 189 34 GLY N N 109.215 . 1
315 190 35 VAL H H 7.220 . 1
316 190 35 VAL HA H 3.988 . 1
317 190 35 VAL HB H 2.019 . 1
318 190 35 VAL HG1 H 0.771 . 4
319 190 35 VAL HG2 H 0.896 . 4
320 190 35 VAL C C 176.603 . 1
321 190 35 VAL CA C 62.917 . 1
322 190 35 VAL CB C 32.728 . 1
323 190 35 VAL CG1 C 21.327 . 2
324 190 35 VAL CG2 C 21.327 . 2
325 190 35 VAL N N 119.053 . 1
326 191 36 THR H H 8.211 . 1
327 191 36 THR HA H 4.154 . 1
328 191 36 THR HG2 H 1.247 . 1
329 191 36 THR C C 174.707 . 1
330 191 36 THR CA C 64.127 . 1
331 191 36 THR CB C 69.131 . 1
332 191 36 THR CG2 C 21.604 . 1
333 191 36 THR N N 117.637 . 1
334 192 37 ASP H H 7.921 . 1
335 192 37 ASP HA H 4.639 . 1
336 192 37 ASP HB2 H 2.785 . 2
337 192 37 ASP HB3 H 2.442 . 2
338 192 37 ASP C C 174.648 . 1
339 192 37 ASP CA C 53.567 . 1
340 192 37 ASP CB C 39.885 . 1
341 192 37 ASP N N 121.375 . 1
342 193 38 LYS H H 8.100 . 1
343 193 38 LYS HA H 3.610 . 1
344 193 38 LYS HB2 H 2.021 . 2
345 193 38 LYS HB3 H 1.443 . 2
346 193 38 LYS HD2 H 1.740 . 2
347 193 38 LYS HD3 H 1.849 . 2
348 193 38 LYS HE2 H 3.129 . 2
349 193 38 LYS HE3 H 3.128 . 2
350 193 38 LYS HG2 H 1.151 . 2
351 193 38 LYS HG3 H 0.846 . 2
352 193 38 LYS C C 175.901 . 1
353 193 38 LYS CA C 54.644 . 1
354 193 38 LYS CB C 32.196 . 1
355 193 38 LYS CD C 29.445 . 1
356 193 38 LYS CE C 42.486 . 1
357 193 38 LYS CG C 25.346 . 1
358 193 38 LYS N N 124.397 . 1
359 194 39 SER H H 7.912 . 1
360 194 39 SER HA H 4.361 . 1
361 194 39 SER HB2 H 3.964 . 2
362 194 39 SER HB3 H 3.868 . 2
363 194 39 SER C C 175.617 . 1
364 194 39 SER CA C 59.223 . 1
365 194 39 SER CB C 64.261 . 1
366 194 39 SER N N 115.246 . 1
367 195 40 PHE H H 7.937 . 1
368 195 40 PHE HA H 5.223 . 1
369 195 40 PHE HB2 H 2.777 . 1
370 195 40 PHE HB3 H 3.270 . 2
371 195 40 PHE HD1 H 7.189 . 3
372 195 40 PHE HD2 H 7.189 . 3
373 195 40 PHE HE1 H 7.172 . 3
374 195 40 PHE HE2 H 7.172 . 3
375 195 40 PHE CA C 57.068 . 1
376 195 40 PHE CB C 41.207 . 1
377 195 40 PHE CE1 C 132.615 . 3
378 195 40 PHE CE2 C 132.615 . 3
379 195 40 PHE N N 117.593 . 1
380 196 41 ARG H H 9.145 . 1
381 196 41 ARG HA H 4.678 . 1
382 196 41 ARG HB2 H 1.713 . 2
383 196 41 ARG HB3 H 1.712 . 2
384 196 41 ARG HD2 H 3.137 . 2
385 196 41 ARG HD3 H 3.138 . 2
386 196 41 ARG HG2 H 1.590 . 2
387 196 41 ARG HG3 H 1.591 . 2
388 196 41 ARG C C 174.055 . 1
389 196 41 ARG CA C 54.662 . 1
390 196 41 ARG CB C 33.573 . 1
391 196 41 ARG CD C 43.512 . 1
392 196 41 ARG CG C 27.088 . 1
393 196 41 ARG N N 119.466 . 1
394 197 42 ALA H H 8.776 . 1
395 197 42 ALA HA H 5.482 . 1
396 197 42 ALA HB H 1.221 . 1
397 197 42 ALA CA C 50.475 . 1
398 197 42 ALA CB C 23.131 . 1
399 197 42 ALA N N 126.744 . 1
400 198 43 VAL H H 7.871 . 1
401 198 43 VAL HA H 4.259 . 1
402 198 43 VAL N N 119.336 . 1
403 199 44 SER H H 8.394 . 1
404 199 44 SER HA H 4.594 . 1
405 199 44 SER HB2 H 3.899 . 2
406 199 44 SER HB3 H 3.611 . 2
407 199 44 SER C C 175.977 . 1
408 199 44 SER CA C 57.181 . 1
409 199 44 SER CB C 64.604 . 1
410 199 44 SER N N 114.614 . 1
411 200 45 ALA H H 8.436 . 1
412 200 45 ALA HA H 4.522 . 1
413 200 45 ALA HB H 1.513 . 1
414 200 45 ALA C C 176.864 . 1
415 200 45 ALA CA C 53.209 . 1
416 200 45 ALA CB C 18.816 . 1
417 200 45 ALA N N 127.174 . 1
418 201 46 ASP H H 8.029 . 1
419 201 46 ASP HA H 4.783 . 1
420 201 46 ASP HB2 H 2.862 . 2
421 201 46 ASP HB3 H 2.863 . 2
422 201 46 ASP C C 176.589 . 1
423 201 46 ASP CA C 54.542 . 1
424 201 46 ASP CB C 40.303 . 1
425 201 46 ASP N N 114.937 . 1
426 202 47 LYS H H 9.314 . 1
427 202 47 LYS HA H 4.629 . 1
428 202 47 LYS HB2 H 1.894 . 2
429 202 47 LYS HB3 H 1.893 . 2
430 202 47 LYS HD2 H 1.869 . 2
431 202 47 LYS HD3 H 1.868 . 2
432 202 47 LYS HE2 H 3.181 . 2
433 202 47 LYS HE3 H 3.182 . 2
434 202 47 LYS HG2 H 1.729 . 2
435 202 47 LYS HG3 H 1.728 . 2
436 202 47 LYS C C 176.544 . 1
437 202 47 LYS CA C 58.514 . 1
438 202 47 LYS CB C 32.293 . 1
439 202 47 LYS CD C 30.089 . 1
440 202 47 LYS CE C 42.158 . 1
441 202 47 LYS CG C 25.987 . 1
442 202 47 LYS N N 128.184 . 1
443 203 48 THR H H 8.338 . 1
444 203 48 THR HA H 4.205 . 1
445 203 48 THR HB H 4.266 . 1
446 203 48 THR HG2 H 1.295 . 1
447 203 48 THR C C 174.712 . 1
448 203 48 THR CA C 63.517 . 1
449 203 48 THR CB C 68.548 . 1
450 203 48 THR CG2 C 21.172 . 1
451 203 48 THR N N 107.942 . 1
452 204 49 LYS H H 7.307 . 1
453 204 49 LYS HA H 4.656 . 1
454 204 49 LYS HB2 H 1.738 . 2
455 204 49 LYS HB3 H 1.537 . 2
456 204 49 LYS HD2 H 1.336 . 2
457 204 49 LYS HD3 H 1.335 . 2
458 204 49 LYS HE2 H 3.040 . 2
459 204 49 LYS HE3 H 3.041 . 2
460 204 49 LYS HG2 H 1.297 . 2
461 204 49 LYS HG3 H 1.168 . 2
462 204 49 LYS C C 176.804 . 1
463 204 49 LYS CA C 56.703 . 1
464 204 49 LYS CB C 34.987 . 1
465 204 49 LYS CD C 29.263 . 1
466 204 49 LYS CE C 42.308 . 1
467 204 49 LYS CG C 25.196 . 1
468 204 49 LYS N N 116.426 . 1
469 205 50 ALA H H 8.010 . 1
470 205 50 ALA HA H 5.383 . 1
471 205 50 ALA HB H 1.104 . 1
472 205 50 ALA C C 175.618 . 1
473 205 50 ALA CA C 52.124 . 1
474 205 50 ALA CB C 22.293 . 1
475 205 50 ALA N N 118.939 . 1
476 206 51 THR H H 8.285 . 1
477 206 51 THR HA H 5.033 . 1
478 206 51 THR HB H 4.469 . 1
479 206 51 THR HG2 H 1.266 . 1
480 206 51 THR C C 174.050 . 1
481 206 51 THR CA C 58.663 . 1
482 206 51 THR CB C 71.182 . 1
483 206 51 THR CG2 C 21.683 . 1
484 206 51 THR N N 111.136 . 1
485 207 52 VAL H H 8.940 . 1
486 207 52 VAL HA H 5.718 . 1
487 207 52 VAL HB H 1.852 . 1
488 207 52 VAL HG1 H 0.743 . 4
489 207 52 VAL HG2 H 0.695 . 4
490 207 52 VAL C C 175.988 . 1
491 207 52 VAL CA C 58.791 . 1
492 207 52 VAL CB C 36.280 . 1
493 207 52 VAL CG1 C 22.939 . 2
494 207 52 VAL CG2 C 19.405 . 1
495 207 52 VAL N N 112.839 . 1
496 208 53 SER H H 8.754 . 1
497 208 53 SER HA H 4.713 . 1
498 208 53 SER HB2 H 3.753 . 2
499 208 53 SER HB3 H 3.858 . 2
500 208 53 SER C C 172.790 . 1
501 208 53 SER CA C 57.598 . 1
502 208 53 SER CB C 65.341 . 1
503 208 53 SER N N 117.148 . 1
504 209 54 VAL H H 8.806 . 1
505 209 54 VAL HA H 4.855 . 1
506 209 54 VAL HB H 1.932 . 1
507 209 54 VAL HG1 H 0.914 . 4
508 209 54 VAL HG2 H 1.032 . 4
509 209 54 VAL C C 175.835 . 1
510 209 54 VAL CA C 61.853 . 1
511 209 54 VAL CB C 34.862 . 1
512 209 54 VAL CG1 C 22.358 . 2
513 209 54 VAL CG2 C 22.358 . 2
514 209 54 VAL N N 123.857 . 1
515 210 55 SER H H 8.397 . 1
516 210 55 SER HA H 4.604 . 1
517 210 55 SER HB2 H 3.774 . 2
518 210 55 SER HB3 H 3.493 . 2
519 210 55 SER C C 174.791 . 1
520 210 55 SER CA C 57.370 . 1
521 210 55 SER CB C 63.729 . 1
522 210 55 SER N N 121.712 . 1
523 211 56 GLY H H 9.209 . 1
524 211 56 GLY HA2 H 4.063 . 2
525 211 56 GLY HA3 H 3.755 . 2
526 211 56 GLY C C 174.414 . 1
527 211 56 GLY CA C 47.330 . 1
528 211 56 GLY N N 119.681 . 1
529 212 57 MET H H 8.756 . 1
530 212 57 MET HA H 5.217 . 1
531 212 57 MET HB2 H 3.188 . 1
532 212 57 MET HB3 H 2.015 . 2
533 212 57 MET HE H 2.318 . 1
534 212 57 MET HE H 2.317 . 1
535 212 57 MET HG2 H 3.013 . 1
536 212 57 MET HG3 H 2.679 . 2
537 212 57 MET C C 175.382 . 1
538 212 57 MET CA C 53.624 . 1
539 212 57 MET CB C 29.931 . 1
540 212 57 MET CE C 16.695 . 1
541 212 57 MET CG C 32.337 . 1
542 212 57 MET N N 123.687 . 1
543 213 58 THR H H 8.420 . 1
544 213 58 THR HA H 5.058 . 1
545 213 58 THR HB H 4.288 . 1
546 213 58 THR HG2 H 1.213 . 1
547 213 58 THR C C 174.386 . 1
548 213 58 THR CA C 62.182 . 1
549 213 58 THR CB C 70.085 . 1
550 213 58 THR CG2 C 21.472 . 1
551 213 58 THR N N 114.100 . 1
552 214 59 ILE H H 9.432 . 1
553 214 59 ILE HA H 4.582 . 1
554 214 59 ILE HB H 1.649 . 1
555 214 59 ILE HD1 H 0.526 . 1
556 214 59 ILE HG12 H 0.868 . 9
557 214 59 ILE HG13 H 0.867 . 1
558 214 59 ILE HG2 H 0.669 . 2
559 214 59 ILE C C 175.630 . 1
560 214 59 ILE CA C 60.165 . 1
561 214 59 ILE CB C 40.353 . 1
562 214 59 ILE CD1 C 15.848 . 1
563 214 59 ILE CG1 C 27.308 . 1
564 214 59 ILE CG2 C 17.467 . 1
565 214 59 ILE N N 128.498 . 1
566 215 60 THR H H 9.506 . 1
567 215 60 THR HA H 4.709 . 1
568 215 60 THR HB H 4.062 . 1
569 215 60 THR HG2 H 1.089 . 1
570 215 60 THR C C 173.168 . 1
571 215 60 THR CA C 63.515 . 1
572 215 60 THR CB C 68.620 . 1
573 215 60 THR CG2 C 20.883 . 1
574 215 60 THR N N 126.049 . 1
575 216 61 VAL H H 9.105 . 1
576 216 61 VAL HA H 4.629 . 1
577 216 61 VAL HB H 1.764 . 1
578 216 61 VAL HG1 H 0.677 . 4
579 216 61 VAL HG2 H 0.676 . 4
580 216 61 VAL C C 174.383 . 1
581 216 61 VAL CA C 60.489 . 1
582 216 61 VAL CB C 33.402 . 1
583 216 61 VAL CG1 C 20.938 . 2
584 216 61 VAL CG2 C 20.938 . 2
585 216 61 VAL N N 127.504 . 1
586 217 62 ASN H H 9.193 . 1
587 217 62 ASN HA H 5.047 . 1
588 217 62 ASN HB2 H 2.875 . 1
589 217 62 ASN HB3 H 2.504 . 2
590 217 62 ASN HD21 H 6.957 . 2
591 217 62 ASN HD22 H 6.718 . 2
592 217 62 ASN C C 175.306 . 1
593 217 62 ASN CA C 51.805 . 1
594 217 62 ASN CB C 39.354 . 1
595 217 62 ASN N N 125.267 . 1
596 217 62 ASN ND2 N 112.997 . 1
597 218 63 GLY H H 8.978 . 1
598 218 63 GLY HA2 H 4.084 . 2
599 218 63 GLY HA3 H 3.293 . 2
600 218 63 GLY C C 173.180 . 1
601 218 63 GLY CA C 47.801 . 1
602 218 63 GLY N N 109.336 . 1
603 219 64 VAL H H 9.179 . 1
604 219 64 VAL HA H 4.100 . 1
605 219 64 VAL HB H 1.593 . 1
606 219 64 VAL HG1 H 0.863 . 4
607 219 64 VAL HG2 H 0.862 . 4
608 219 64 VAL C C 175.239 . 1
609 219 64 VAL CA C 64.514 . 1
610 219 64 VAL CB C 33.531 . 1
611 219 64 VAL CG1 C 19.148 . 2
612 219 64 VAL CG2 C 21.123 . 2
613 219 64 VAL N N 130.846 . 1
614 220 65 ALA H H 8.238 . 1
615 220 65 ALA HA H 4.335 . 1
616 220 65 ALA HB H 1.523 . 1
617 220 65 ALA C C 173.779 . 1
618 220 65 ALA CA C 52.112 . 1
619 220 65 ALA CB C 21.972 . 1
620 220 65 ALA N N 121.742 . 1
621 221 66 ALA H H 8.046 . 1
622 221 66 ALA HA H 3.866 . 1
623 221 66 ALA HB H 1.278 . 1
624 221 66 ALA C C 177.509 . 1
625 221 66 ALA CA C 52.288 . 1
626 221 66 ALA CB C 19.062 . 1
627 221 66 ALA N N 117.491 . 1
628 222 67 GLY H H 8.692 . 1
629 222 67 GLY HA2 H 4.312 . 2
630 222 67 GLY HA3 H 3.835 . 2
631 222 67 GLY C C 170.952 . 1
632 222 67 GLY CA C 44.131 . 1
633 222 67 GLY N N 108.613 . 1
634 223 68 LYS H H 8.422 . 1
635 223 68 LYS HA H 5.258 . 1
636 223 68 LYS HB2 H 1.701 . 2
637 223 68 LYS HB3 H 1.702 . 2
638 223 68 LYS HD2 H 1.605 . 2
639 223 68 LYS HD3 H 1.604 . 2
640 223 68 LYS HE2 H 2.878 . 2
641 223 68 LYS HE3 H 2.877 . 2
642 223 68 LYS HG2 H 1.410 . 2
643 223 68 LYS HG3 H 1.411 . 2
644 223 68 LYS C C 175.657 . 1
645 223 68 LYS CA C 55.618 . 1
646 223 68 LYS CB C 34.221 . 1
647 223 68 LYS CD C 29.320 . 1
648 223 68 LYS CE C 42.178 . 1
649 223 68 LYS CG C 25.163 . 1
650 223 68 LYS N N 120.496 . 1
651 224 69 VAL H H 9.377 . 1
652 224 69 VAL HA H 4.595 . 1
653 224 69 VAL HB H 1.942 . 1
654 224 69 VAL HG1 H 0.807 . 4
655 224 69 VAL HG2 H 1.163 . 4
656 224 69 VAL C C 171.691 . 1
657 224 69 VAL CA C 59.747 . 1
658 224 69 VAL CB C 34.706 . 1
659 224 69 VAL CG1 C 19.460 . 2
660 224 69 VAL CG2 C 22.946 . 2
661 224 69 VAL N N 123.200 . 1
662 225 70 ASN H H 8.228 . 1
663 225 70 ASN HA H 5.494 . 1
664 225 70 ASN HB2 H 2.531 . 2
665 225 70 ASN HB3 H 2.127 . 2
666 225 70 ASN HD21 H 7.088 . 2
667 225 70 ASN HD22 H 7.002 . 2
668 225 70 ASN C C 174.270 . 1
669 225 70 ASN CA C 51.936 . 1
670 225 70 ASN CB C 41.003 . 1
671 225 70 ASN N N 124.445 . 1
672 225 70 ASN ND2 N 111.132 . 1
673 226 71 ILE H H 9.145 . 1
674 226 71 ILE HA H 4.952 . 1
675 226 71 ILE HB H 2.195 . 1
676 226 71 ILE HD1 H 0.624 . 1
677 226 71 ILE HG12 H 1.354 . 1
678 226 71 ILE HG13 H 1.175 . 1
679 226 71 ILE HG2 H 0.569 . 2
680 226 71 ILE CA C 55.944 . 1
681 226 71 ILE CB C 37.897 . 1
682 226 71 ILE CD1 C 11.914 . 1
683 226 71 ILE CG1 C 26.788 . 1
684 226 71 ILE CG2 C 16.695 . 1
685 226 71 ILE N N 119.466 . 1
686 227 72 PRO HB2 H 2.013 . 1
687 227 72 PRO HB3 H 2.120 . 1
688 227 72 PRO HD2 H 3.102 . 1
689 227 72 PRO HD3 H 3.103 . 2
690 227 72 PRO HG2 H 1.497 . 1
691 227 72 PRO HG3 H 1.496 . 2
692 227 72 PRO C C 177.625 . 1
693 227 72 PRO CB C 28.117 . 1
694 227 72 PRO CD C 50.429 . 1
695 227 72 PRO CG C 28.382 . 1
696 228 73 VAL H H 8.426 . 1
697 228 73 VAL HA H 4.977 . 1
698 228 73 VAL HB H 1.756 . 1
699 228 73 VAL HG1 H 0.658 . 4
700 228 73 VAL HG2 H 0.752 . 4
701 228 73 VAL C C 173.743 . 1
702 228 73 VAL CA C 60.903 . 1
703 228 73 VAL CB C 34.645 . 1
704 228 73 VAL CG1 C 22.270 . 1
705 228 73 VAL CG2 C 20.945 . 1
706 228 73 VAL N N 120.093 . 1
707 229 74 VAL H H 8.873 . 1
708 229 74 VAL HA H 5.138 . 1
709 229 74 VAL HB H 1.974 . 1
710 229 74 VAL HG1 H 0.927 . 4
711 229 74 VAL HG2 H 1.094 . 4
712 229 74 VAL C C 176.248 . 1
713 229 74 VAL CA C 59.460 . 1
714 229 74 VAL CB C 35.446 . 1
715 229 74 VAL CG1 C 20.766 . 2
716 229 74 VAL CG2 C 20.766 . 2
717 229 74 VAL N N 122.820 . 1
718 230 75 SER H H 9.313 . 1
719 230 75 SER HA H 4.690 . 1
720 230 75 SER HB2 H 4.982 . 1
721 230 75 SER C C 176.312 . 1
722 230 75 SER CA C 60.039 . 1
723 230 75 SER CB C 64.015 . 1
724 230 75 SER N N 123.100 . 1
725 231 76 GLY H H 8.571 . 1
726 231 76 GLY HA2 H 4.116 . 2
727 231 76 GLY HA3 H 3.753 . 2
728 231 76 GLY C C 175.333 . 1
729 231 76 GLY CA C 47.296 . 1
730 231 76 GLY N N 113.067 . 1
731 232 77 ASN H H 8.575 . 1
732 232 77 ASN HA H 4.666 . 1
733 232 77 ASN HB2 H 2.905 . 2
734 232 77 ASN HB3 H 3.266 . 2
735 232 77 ASN HD21 H 7.866 . 2
736 232 77 ASN HD22 H 6.750 . 2
737 232 77 ASN C C 176.805 . 1
738 232 77 ASN CA C 52.237 . 1
739 232 77 ASN CB C 37.532 . 1
740 232 77 ASN N N 116.163 . 1
741 232 77 ASN ND2 N 112.850 . 1
742 233 78 GLY H H 8.199 . 1
743 233 78 GLY HA2 H 3.464 . 2
744 233 78 GLY HA3 H 3.943 . 2
745 233 78 GLY C C 173.422 . 1
746 233 78 GLY CA C 45.584 . 1
747 233 78 GLY N N 108.695 . 1
748 234 79 GLU H H 7.415 . 1
749 234 79 GLU HA H 3.860 . 1
750 234 79 GLU HB2 H 1.287 . 2
751 234 79 GLU HB3 H 1.288 . 2
752 234 79 GLU HG2 H 1.825 . 2
753 234 79 GLU HG3 H 1.550 . 2
754 234 79 GLU CA C 57.335 . 1
755 234 79 GLU CB C 30.307 . 1
756 234 79 GLU CG C 35.871 . 1
757 234 79 GLU N N 117.391 . 1
758 235 80 PHE H H 7.931 . 1
759 235 80 PHE HA H 5.211 . 1
760 235 80 PHE HB2 H 2.732 . 2
761 235 80 PHE HB3 H 3.441 . 2
762 235 80 PHE HD1 H 7.376 . 3
763 235 80 PHE HD2 H 7.376 . 3
764 235 80 PHE HE1 H 7.371 . 3
765 235 80 PHE HE2 H 7.371 . 3
766 235 80 PHE C C 173.828 . 1
767 235 80 PHE CA C 55.978 . 1
768 235 80 PHE CB C 43.395 . 1
769 235 80 PHE CD1 C 131.952 . 3
770 235 80 PHE CD2 C 131.952 . 3
771 235 80 PHE CE1 C 131.935 . 3
772 235 80 PHE CE2 C 131.935 . 3
773 235 80 PHE N N 115.246 . 1
774 236 81 ALA H H 8.726 . 1
775 236 81 ALA HA H 5.477 . 1
776 236 81 ALA HB H 1.198 . 1
777 236 81 ALA C C 175.096 . 1
778 236 81 ALA CA C 50.475 . 1
779 236 81 ALA CB C 23.709 . 1
780 236 81 ALA N N 121.144 . 1
781 237 82 ALA H H 9.240 . 1
782 237 82 ALA HA H 4.712 . 1
783 237 82 ALA HB H 1.238 . 1
784 237 82 ALA C C 174.770 . 1
785 237 82 ALA CA C 51.022 . 1
786 237 82 ALA CB C 22.813 . 1
787 237 82 ALA N N 122.119 . 1
788 238 83 VAL H H 8.506 . 1
789 238 83 VAL HA H 4.476 . 1
790 238 83 VAL HB H 1.984 . 1
791 238 83 VAL HG1 H 0.697 . 4
792 238 83 VAL HG2 H 0.698 . 4
793 238 83 VAL C C 174.625 . 1
794 238 83 VAL CA C 61.466 . 1
795 238 83 VAL CB C 34.410 . 1
796 238 83 VAL CG1 C 21.837 . 2
797 238 83 VAL CG2 C 21.837 . 2
798 238 83 VAL N N 118.594 . 1
799 239 84 ALA H H 7.903 . 1
800 239 84 ALA HA H 5.133 . 1
801 239 84 ALA HB H 1.138 . 1
802 239 84 ALA C C 175.625 . 1
803 239 84 ALA CA C 49.984 . 1
804 239 84 ALA CB C 21.013 . 1
805 239 84 ALA N N 130.299 . 1
806 240 85 GLU H H 8.540 . 1
807 240 85 GLU HA H 4.734 . 1
808 240 85 GLU HB2 H 2.025 . 1
809 240 85 GLU HB3 H 2.024 . 2
810 240 85 GLU HG2 H 2.032 . 2
811 240 85 GLU HG3 H 2.144 . 2
812 240 85 GLU C C 174.717 . 1
813 240 85 GLU CA C 55.724 . 1
814 240 85 GLU CB C 31.685 . 1
815 240 85 GLU CG C 36.608 . 1
816 240 85 GLU N N 123.159 . 1
817 241 86 ILE H H 8.968 . 1
818 241 86 ILE HA H 4.845 . 1
819 241 86 ILE HB H 2.162 . 1
820 241 86 ILE HD1 H 0.522 . 1
821 241 86 ILE HG12 H 1.529 . 9
822 241 86 ILE HG13 H 1.035 . 9
823 241 86 ILE HG2 H 0.605 . 2
824 241 86 ILE C C 175.241 . 1
825 241 86 ILE CA C 57.071 . 1
826 241 86 ILE CB C 37.532 . 1
827 241 86 ILE CD1 C 10.840 . 1
828 241 86 ILE CG1 C 27.806 . 1
829 241 86 ILE CG2 C 17.657 . 1
830 241 86 ILE N N 128.181 . 1
831 242 87 THR H H 8.463 . 1
832 242 87 THR HA H 4.629 . 1
833 242 87 THR HB H 4.009 . 1
834 242 87 THR HG2 H 1.011 . 1
835 242 87 THR C C 173.023 . 1
836 242 87 THR CA C 62.831 . 1
837 242 87 THR CB C 69.624 . 1
838 242 87 THR CG2 C 20.299 . 1
839 242 87 THR N N 123.897 . 1
840 243 88 VAL H H 9.330 . 1
841 243 88 VAL HA H 5.280 . 1
842 243 88 VAL HB H 2.565 . 1
843 243 88 VAL HG1 H 0.855 . 2
844 243 88 VAL HG2 H 0.642 . 2
845 243 88 VAL C C 178.098 . 1
846 243 88 VAL CA C 60.099 . 1
847 243 88 VAL CB C 31.481 . 1
848 243 88 VAL CG1 C 19.741 . 2
849 243 88 VAL CG2 C 20.858 . 2
850 243 88 VAL N N 129.586 . 1
851 244 89 THR H H 9.275 . 1
852 244 89 THR HA H 4.732 . 1
853 244 89 THR HB H 4.540 . 1
854 244 89 THR HG2 H 1.111 . 1
855 244 89 THR CA C 60.351 . 1
856 244 89 THR CB C 70.047 . 1
857 244 89 THR CG2 C 21.493 . 1
858 244 89 THR N N 120.833 . 1
859 245 90 ALA H H 8.901 . 1
860 245 90 ALA HA H 4.185 . 1
861 245 90 ALA HB H 1.468 . 1
862 245 90 ALA C C 176.869 . 1
863 245 90 ALA CA C 53.608 . 1
864 245 90 ALA CB C 19.097 . 1
865 245 90 ALA N N 122.820 . 1
866 246 91 SER H H 7.740 . 1
867 246 91 SER HA H 4.132 . 1
868 246 91 SER CA C 59.267 . 1
869 246 91 SER CB C 64.736 . 1
870 246 91 SER N N 116.362 . 1
stop_
loop_
_Atom_shift_assign_ID_ambiguity
78
'78,78,79,79,79'
'138,138,138,139,139,139'
'149,149,149,150,150,150'
'246,246,246,247,247,247'
'318,318,318,319,319,319'
'488,488,488,489,489,489'
'507,507,507,508,508,508'
'578,578,578,579,579,579'
'606,606,606,607,607,607'
'654,654,654,655,655,655'
'699,699,699,700,700,700'
'710,710,710,711,711,711'
'791,791,791,792,792,792'
stop_
save_