data_5940
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 15N and 13C backbone assignment of the carboxyl terminal domain of the
cytokine binding module of the interleukin-6 receptor (IL-6R)
;
_BMRB_accession_number 5940
_BMRB_flat_file_name bmr5940.str
_Entry_type original
_Submission_date 2003-09-09
_Accession_date 2003-09-09
_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 Schwantner Andreas . .
2 Dingley Andrew J .
3 Ozbek Suat . .
4 Rose-John Stefan . .
5 Grotzinger Joachim . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 342
"13C chemical shifts" 393
"15N chemical shifts" 103
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2004-07-06 update BMRB 'Entry citation updated'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: 1H, 15N, 13C Backbone Assignment of the Carboxyl Terminal
Domain of the Cytokine Binding Module of the Interleukin-6 Receptor
;
_Citation_status published
_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 Schwantner Andreas . .
2 Dingley Andrew J. .
3 Ozbek Suat . .
4 Hecht Oliver . .
5 Rose-John Stefan . .
6 Grotzinger Joachim . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 29
_Journal_issue 3
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 407
_Page_last 408
_Year 2004
_Details .
loop_
_Keyword
'3D NMR'
'backbone assignment'
IL-6R
'cytokine receptor'
'FN III domain'
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_citation_1
_Saveframe_category citation
_Citation_full .
_Citation_title
;
Direct determination of the interleukin-6 binding epitope of the interleukin-6
receptor by NMR spectroscopy
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 14557255
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Schwantner Andreas . .
2 Dingley Andrew J. .
3 Ozbek Suat . .
4 Rose-John Stefan . .
5 Grotzinger Joachim . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_name_full .
_Journal_volume 279
_Journal_issue 1
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 571
_Page_last 576
_Year 2004
_Details .
loop_
_Keyword
'3D NMR'
'backbone assignment'
IL-6R
'cytokine receptor'
'FN III domain'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_IL-6R
_Saveframe_category molecular_system
_Mol_system_name 'third domain of the interleukin-6 receptor'
_Abbreviation_common IL-6R
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'interleukin-6 receptor' $IL-6R-D3
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'binds interleukin-6'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_IL-6R-D3
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'interleukin-6 receptor'
_Name_variant IL-6R-D3
_Abbreviation_common IL-6R-D3
_Molecular_mass 14500
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 126
_Mol_residue_sequence
;
MGILQPDPPANITVTAVARN
PRWLSVTWQDPHSWNSSFYR
LRFELRYRAERSKTFTTWMV
KDLQHHCVIHDAWSGLRHVV
QLRAQEEFGQGEWSEWSPEA
MGTPWTESRSPPAENEVSTP
MQALTT
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 ILE 4 LEU 5 GLN
6 PRO 7 ASP 8 PRO 9 PRO 10 ALA
11 ASN 12 ILE 13 THR 14 VAL 15 THR
16 ALA 17 VAL 18 ALA 19 ARG 20 ASN
21 PRO 22 ARG 23 TRP 24 LEU 25 SER
26 VAL 27 THR 28 TRP 29 GLN 30 ASP
31 PRO 32 HIS 33 SER 34 TRP 35 ASN
36 SER 37 SER 38 PHE 39 TYR 40 ARG
41 LEU 42 ARG 43 PHE 44 GLU 45 LEU
46 ARG 47 TYR 48 ARG 49 ALA 50 GLU
51 ARG 52 SER 53 LYS 54 THR 55 PHE
56 THR 57 THR 58 TRP 59 MET 60 VAL
61 LYS 62 ASP 63 LEU 64 GLN 65 HIS
66 HIS 67 CYS 68 VAL 69 ILE 70 HIS
71 ASP 72 ALA 73 TRP 74 SER 75 GLY
76 LEU 77 ARG 78 HIS 79 VAL 80 VAL
81 GLN 82 LEU 83 ARG 84 ALA 85 GLN
86 GLU 87 GLU 88 PHE 89 GLY 90 GLN
91 GLY 92 GLU 93 TRP 94 SER 95 GLU
96 TRP 97 SER 98 PRO 99 GLU 100 ALA
101 MET 102 GLY 103 THR 104 PRO 105 TRP
106 THR 107 GLU 108 SER 109 ARG 110 SER
111 PRO 112 PRO 113 ALA 114 GLU 115 ASN
116 GLU 117 VAL 118 SER 119 THR 120 PRO
121 MET 122 GLN 123 ALA 124 LEU 125 THR
126 THR
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
PDB 1N26 "Crystal Structure Of The Extra-Cellular Domains Of Human Interleukin-6 Receptor Alpha Chain" 100.00 325 99.21 99.21 3.38e-85
PDB 1P9M "Crystal Structure Of The Hexameric Human Il-6/il-6 Alpha Receptor/gp130 Complex" 83.33 201 99.05 99.05 1.49e-71
PDB 2ARW "The Solution Structure Of The Membrane Proximal Cytokine Receptor Domain Of The Human Interleukin-6 Receptor" 100.00 126 100.00 100.00 4.32e-87
DBJ BAD97302 "interleukin 6 receptor isoform 1 precursor variant [Homo sapiens]" 99.21 468 100.00 100.00 3.65e-84
DBJ BAF85702 "unnamed protein product [Homo sapiens]" 100.00 365 99.21 99.21 3.73e-85
DBJ BAG35601 "unnamed protein product [Homo sapiens]" 99.21 468 100.00 100.00 3.61e-84
DBJ BAI46031 "interleukin 6 receptor [synthetic construct]" 99.21 468 100.00 100.00 3.69e-84
EMBL CAA31312 "IL-6 receptor precursor (AA -19 to 449) [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84
EMBL CAA41231 "interleukin-6-receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84
GB AAH89410 "Interleukin 6 receptor [Homo sapiens]" 100.00 365 99.21 99.21 3.73e-85
GB AAI32685 "Interleukin 6 receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84
GB AAI32687 "Interleukin 6 receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84
GB AAX36842 "interleukin 6 receptor [synthetic construct]" 99.21 469 100.00 100.00 3.55e-84
GB ABK41906 "interleukin 6 receptor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84
PRF 1502360A "interleukin 6 receptor" 99.21 468 99.20 99.20 3.01e-83
REF NP_000556 "interleukin-6 receptor subunit alpha isoform 1 precursor [Homo sapiens]" 99.21 468 100.00 100.00 3.69e-84
REF NP_852004 "interleukin-6 receptor subunit alpha isoform 2 precursor [Homo sapiens]" 100.00 365 99.21 99.21 3.73e-85
REF XP_001114404 "PREDICTED: interleukin-6 receptor subunit alpha [Macaca mulatta]" 100.00 468 97.62 97.62 4.06e-82
REF XP_002810148 "PREDICTED: interleukin-6 receptor subunit alpha isoform X2 [Pongo abelii]" 99.21 468 100.00 100.00 4.78e-84
REF XP_003308452 "PREDICTED: interleukin-6 receptor subunit alpha isoform X6 [Pan troglodytes]" 100.00 365 98.41 98.41 2.89e-84
SP P08887 "RecName: Full=Interleukin-6 receptor subunit alpha; Short=IL-6 receptor subunit alpha; Short=IL-6R subunit alpha; Short=IL-6R-a" 99.21 468 100.00 100.00 3.69e-84
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$IL-6R-D3 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
$IL-6R-D3 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$IL-6R-D3 1.0 mM '[U-95% 13C; U-90% 15N]'
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 5.0 0.1 n/a
temperature 293 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_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
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'interleukin-6 receptor'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 2 GLY CA C 42.939 . 1
2 . 2 GLY HA2 H 3.882 . 2
3 . 2 GLY C C 170.475 . 1
4 . 3 ILE N N 119.422 . 1
5 . 3 ILE H H 8.535 . 1
6 . 3 ILE CA C 61.303 . 1
7 . 3 ILE HA H 4.180 . 1
8 . 3 ILE CB C 39.004 . 1
9 . 3 ILE HB H 1.794 . 1
10 . 3 ILE CG1 C 27.242 . 2
11 . 3 ILE CD1 C 13.196 . 1
12 . 3 ILE CG2 C 17.605 . 2
13 . 3 ILE C C 176.178 . 1
14 . 4 LEU N N 125.326 . 1
15 . 4 LEU H H 8.517 . 1
16 . 4 LEU CA C 55.182 . 1
17 . 4 LEU HA H 4.321 . 1
18 . 4 LEU CB C 42.065 . 1
19 . 4 LEU HB2 H 1.631 . 2
20 . 4 LEU CG C 27.021 . 1
21 . 4 LEU CD1 C 24.550 . 2
22 . 4 LEU CD2 C 23.434 . 2
23 . 4 LEU C C 175.840 . 1
24 . 5 GLN N N 122.009 . 1
25 . 5 GLN H H 8.117 . 1
26 . 5 GLN CA C 52.996 . 1
27 . 5 GLN CB C 29.822 . 1
28 . 6 PRO CA C 63.489 . 1
29 . 6 PRO HA H 4.392 . 1
30 . 6 PRO CB C 32.008 . 1
31 . 6 PRO HB3 H 2.266 . 2
32 . 6 PRO HB2 H 1.962 . 2
33 . 6 PRO CG C 27.253 . 1
34 . 6 PRO CD C 51.204 . 1
35 . 7 ASP N N 125.920 . 1
36 . 7 ASP H H 8.073 . 1
37 . 7 ASP CA C 56.931 . 1
38 . 7 ASP CB C 33.757 . 1
39 . 9 PRO CA C 63.052 . 1
40 . 9 PRO HA H 4.268 . 1
41 . 9 PRO CB C 32.446 . 1
42 . 9 PRO HB3 H 2.312 . 2
43 . 9 PRO HB2 H 1.630 . 2
44 . 9 PRO CG C 28.927 . 1
45 . 9 PRO CD C 49.580 . 1
46 . 9 PRO C C 172.645 . 1
47 . 10 ALA N N 120.974 . 1
48 . 10 ALA H H 7.804 . 1
49 . 10 ALA CA C 50.372 . 1
50 . 10 ALA HA H 4.745 . 1
51 . 10 ALA CB C 23.264 . 1
52 . 10 ALA HB H 1.317 . 1
53 . 10 ALA C C 176.386 . 1
54 . 11 ASN N N 115.682 . 1
55 . 11 ASN H H 8.882 . 1
56 . 11 ASN CA C 53.870 . 1
57 . 11 ASN HA H 4.309 . 1
58 . 11 ASN CB C 37.255 . 1
59 . 11 ASN HB3 H 2.965 . 2
60 . 11 ASN HB2 H 2.486 . 2
61 . 11 ASN C C 174.111 . 1
62 . 12 ILE N N 119.315 . 1
63 . 12 ILE H H 8.295 . 1
64 . 12 ILE CA C 62.178 . 1
65 . 12 ILE HA H 4.745 . 1
66 . 12 ILE CB C 37.692 . 1
67 . 12 ILE HB H 1.754 . 1
68 . 12 ILE CG1 C 28.889 . 2
69 . 12 ILE CD1 C 15.388 . 1
70 . 12 ILE CG2 C 18.518 . 2
71 . 12 ILE C C 177.774 . 1
72 . 13 THR N N 121.832 . 1
73 . 13 THR H H 9.301 . 1
74 . 13 THR CA C 60.866 . 1
75 . 13 THR HA H 4.668 . 1
76 . 13 THR CB C 71.360 . 1
77 . 13 THR HB H 4.101 . 1
78 . 13 THR CG2 C 21.310 . 1
79 . 13 THR C C 173.147 . 1
80 . 14 VAL N N 126.283 . 1
81 . 14 VAL H H 8.915 . 1
82 . 14 VAL CA C 60.876 . 1
83 . 14 VAL HA H 4.965 . 1
84 . 14 VAL CB C 32.883 . 1
85 . 14 VAL HB H 1.979 . 1
86 . 14 VAL CG2 C 23.027 . 2
87 . 14 VAL CG1 C 21.203 . 2
88 . 14 VAL C C 175.571 . 1
89 . 15 THR N N 118.697 . 1
90 . 15 THR H H 9.349 . 1
91 . 15 THR CA C 60.429 . 1
92 . 15 THR HA H 4.883 . 1
93 . 15 THR CB C 72.234 . 1
94 . 15 THR HB H 4.232 . 1
95 . 15 THR CG2 C 21.637 . 1
96 . 15 THR C C 173.264 . 1
97 . 16 ALA N N 124.445 . 1
98 . 16 ALA H H 8.673 . 1
99 . 16 ALA CA C 52.559 . 1
100 . 16 ALA HA H 4.408 . 1
101 . 16 ALA CB C 20.203 . 1
102 . 16 ALA HB H 1.685 . 1
103 . 17 VAL N N 122.526 . 1
104 . 17 VAL H H 9.771 . 1
105 . 17 VAL CA C 61.741 . 1
106 . 17 VAL HA H 4.137 . 1
107 . 17 VAL CB C 33.320 . 1
108 . 17 VAL HB H 2.097 . 1
109 . 17 VAL CG2 C 20.989 . 2
110 . 17 VAL CG1 C 17.826 . 2
111 . 17 VAL C C 174.841 . 1
112 . 18 ALA N N 129.004 . 1
113 . 18 ALA H H 8.568 . 1
114 . 18 ALA CA C 53.870 . 1
115 . 18 ALA CB C 17.580 . 1
116 . 24 LEU CA C 53.870 . 1
117 . 24 LEU HA H 4.703 . 1
118 . 24 LEU CB C 47.312 . 1
119 . 24 LEU HB3 H 1.263 . 2
120 . 24 LEU HB2 H 0.923 . 2
121 . 24 LEU CG C 26.310 . 1
122 . 24 LEU CD1 C 24.797 . 2
123 . 24 LEU CD2 C 24.526 . 1
124 . 24 LEU C C 174.731 . 1
125 . 25 SER N N 117.485 . 1
126 . 25 SER H H 9.428 . 1
127 . 25 SER CA C 56.931 . 1
128 . 25 SER HA H 4.830 . 1
129 . 25 SER CB C 63.052 . 1
130 . 25 SER HB3 H 3.968 . 2
131 . 25 SER HB2 H 3.622 . 2
132 . 26 VAL N N 130.084 . 1
133 . 26 VAL H H 9.121 . 1
134 . 26 VAL CA C 61.303 . 1
135 . 26 VAL HA H 5.351 . 1
136 . 26 VAL CB C 34.195 . 1
137 . 26 VAL HB H 2.361 . 1
138 . 26 VAL CG2 C 22.426 . 2
139 . 26 VAL CG1 C 21.222 . 2
140 . 26 VAL C C 175.449 . 1
141 . 27 THR N N 119.335 . 1
142 . 27 THR H H 8.868 . 1
143 . 27 THR CA C 61.185 . 1
144 . 27 THR HA H 4.969 . 1
145 . 27 THR CB C 71.797 . 1
146 . 27 THR HB H 4.148 . 1
147 . 27 THR CG2 C 21.492 . 1
148 . 27 THR C C 172.685 . 1
149 . 28 TRP N N 117.925 . 1
150 . 28 TRP H H 7.571 . 1
151 . 28 TRP CA C 56.931 . 1
152 . 28 TRP HA H 5.094 . 1
153 . 28 TRP CB C 31.134 . 1
154 . 28 TRP HB3 H 3.389 . 2
155 . 28 TRP HB2 H 2.964 . 2
156 . 28 TRP C C 173.152 . 1
157 . 29 GLN N N 115.091 . 1
158 . 29 GLN H H 8.926 . 1
159 . 29 GLN CA C 53.433 . 1
160 . 29 GLN HA H 4.708 . 1
161 . 29 GLN CB C 33.129 . 1
162 . 29 GLN HB3 H 2.265 . 2
163 . 29 GLN HB2 H 1.800 . 2
164 . 29 GLN CG C 34.049 . 1
165 . 29 GLN C C 176.475 . 1
166 . 30 ASP N N 120.976 . 1
167 . 30 ASP H H 8.889 . 1
168 . 30 ASP CA C 53.870 . 1
169 . 30 ASP CB C 39.004 . 1
170 . 31 PRO CA C 62.615 . 1
171 . 31 PRO HA H 4.451 . 1
172 . 31 PRO CB C 31.954 . 1
173 . 31 PRO HB3 H 2.391 . 2
174 . 31 PRO HB2 H 2.044 . 2
175 . 31 PRO CG C 27.388 . 1
176 . 31 PRO CD C 50.147 . 1
177 . 31 PRO C C 178.735 . 1
178 . 32 HIS N N 121.381 . 1
179 . 32 HIS H H 9.132 . 1
180 . 32 HIS CA C 57.805 . 1
181 . 32 HIS HA H 4.482 . 1
182 . 32 HIS CB C 28.073 . 1
183 . 32 HIS HB3 H 3.476 . 2
184 . 32 HIS HB2 H 3.310 . 2
185 . 32 HIS C C 175.340 . 1
186 . 33 SER N N 109.673 . 1
187 . 33 SER H H 8.186 . 1
188 . 33 SER CA C 57.680 . 1
189 . 33 SER HA H 4.315 . 1
190 . 33 SER CB C 63.052 . 1
191 . 33 SER HB3 H 4.186 . 2
192 . 33 SER HB2 H 3.927 . 2
193 . 33 SER C C 174.650 . 1
194 . 34 TRP N N 124.086 . 1
195 . 34 TRP H H 7.798 . 1
196 . 34 TRP CA C 57.368 . 1
197 . 34 TRP HA H 4.571 . 1
198 . 34 TRP CB C 30.697 . 1
199 . 34 TRP HB3 H 3.360 . 2
200 . 34 TRP HB2 H 3.272 . 2
201 . 34 TRP C C 175.313 . 1
202 . 35 ASN N N 124.080 . 1
203 . 35 ASN H H 7.533 . 1
204 . 35 ASN CA C 52.121 . 1
205 . 35 ASN HA H 4.750 . 1
206 . 35 ASN CB C 38.130 . 1
207 . 35 ASN HB2 H 2.578 . 2
208 . 35 ASN C C 175.302 . 1
209 . 36 SER N N 118.100 . 1
210 . 36 SER H H 8.156 . 1
211 . 36 SER CA C 59.117 . 1
212 . 36 SER HA H 4.658 . 1
213 . 36 SER CB C 63.489 . 1
214 . 36 SER HB2 H 3.965 . 2
215 . 36 SER C C 175.165 . 1
216 . 37 SER N N 117.120 . 1
217 . 37 SER H H 8.437 . 1
218 . 37 SER CA C 59.992 . 1
219 . 37 SER HA H 4.276 . 1
220 . 37 SER CB C 63.052 . 1
221 . 37 SER HB2 H 3.669 . 2
222 . 37 SER C C 174.638 . 1
223 . 38 PHE N N 119.420 . 1
224 . 38 PHE H H 7.735 . 1
225 . 38 PHE CA C 57.805 . 1
226 . 38 PHE HA H 4.492 . 1
227 . 38 PHE CB C 40.316 . 1
228 . 38 PHE HB2 H 2.538 . 2
229 . 38 PHE C C 175.413 . 1
230 . 39 TYR N N 117.385 . 1
231 . 39 TYR H H 7.883 . 1
232 . 39 TYR CA C 56.494 . 1
233 . 39 TYR HA H 4.961 . 1
234 . 39 TYR CB C 40.753 . 1
235 . 39 TYR HB3 H 3.451 . 2
236 . 39 TYR HB2 H 3.007 . 2
237 . 40 ARG N N 121.524 . 1
238 . 40 ARG H H 9.177 . 1
239 . 40 ARG CA C 55.182 . 1
240 . 40 ARG HA H 4.834 . 1
241 . 40 ARG CB C 32.008 . 1
242 . 40 ARG HB3 H 1.924 . 2
243 . 40 ARG HB2 H 1.795 . 2
244 . 40 ARG CG C 27.275 . 1
245 . 40 ARG CD C 43.522 . 1
246 . 40 ARG C C 175.724 . 1
247 . 41 LEU N N 119.399 . 1
248 . 41 LEU H H 7.969 . 1
249 . 41 LEU CA C 52.996 . 1
250 . 41 LEU HA H 4.443 . 1
251 . 41 LEU CB C 44.688 . 1
252 . 41 LEU CG C 25.069 . 1
253 . 41 LEU CD1 C 22.351 . 2
254 . 41 LEU C C 175.910 . 1
255 . 42 ARG N N 116.606 . 1
256 . 42 ARG H H 8.786 . 1
257 . 42 ARG CA C 52.996 . 1
258 . 42 ARG HA H 4.529 . 1
259 . 42 ARG CB C 33.320 . 1
260 . 42 ARG HB2 H 1.927 . 2
261 . 42 ARG CG C 25.731 . 1
262 . 42 ARG CD C 43.522 . 1
263 . 42 ARG C C 174.383 . 1
264 . 43 PHE N N 114.713 . 1
265 . 43 PHE H H 8.535 . 1
266 . 43 PHE CA C 56.494 . 1
267 . 43 PHE HA H 5.785 . 1
268 . 43 PHE CB C 43.377 . 1
269 . 43 PHE HB3 H 2.622 . 2
270 . 43 PHE HB2 H 2.218 . 2
271 . 43 PHE C C 177.954 . 1
272 . 44 GLU N N 122.317 . 1
273 . 44 GLU H H 8.595 . 1
274 . 44 GLU CA C 54.745 . 1
275 . 45 LEU CA C 53.623 . 1
276 . 45 LEU HA H 5.090 . 1
277 . 45 LEU CB C 46.000 . 1
278 . 45 LEU HB3 H 1.453 . 2
279 . 45 LEU HB2 H 1.061 . 2
280 . 45 LEU CG C 27.608 . 1
281 . 45 LEU CD1 C 25.946 . 2
282 . 45 LEU C C 174.934 . 1
283 . 46 ARG N N 120.712 . 1
284 . 46 ARG H H 9.264 . 1
285 . 46 ARG CA C 53.433 . 1
286 . 46 ARG HA H 5.788 . 1
287 . 46 ARG CB C 34.195 . 1
288 . 46 ARG CG C 28.340 . 1
289 . 46 ARG CD C 42.361 . 1
290 . 46 ARG C C 173.882 . 1
291 . 47 TYR N N 115.244 . 1
292 . 47 TYR H H 8.770 . 1
293 . 47 TYR CA C 55.182 . 1
294 . 47 TYR HA H 6.136 . 1
295 . 47 TYR CB C 42.502 . 1
296 . 47 TYR HB3 H 3.042 . 2
297 . 47 TYR HB2 H 2.793 . 2
298 . 47 TYR C C 174.248 . 1
299 . 48 ARG N N 114.407 . 1
300 . 48 ARG H H 8.819 . 1
301 . 48 ARG CA C 54.308 . 1
302 . 48 ARG HA H 4.707 . 1
303 . 48 ARG CB C 32.883 . 1
304 . 48 ARG HB3 H 1.794 . 2
305 . 48 ARG CG C 26.441 . 1
306 . 48 ARG CD C 41.860 . 1
307 . 48 ARG C C 174.648 . 1
308 . 49 ALA N N 125.094 . 1
309 . 49 ALA H H 8.517 . 1
310 . 49 ALA CA C 51.684 . 1
311 . 49 ALA HA H 4.963 . 1
312 . 49 ALA CB C 18.017 . 1
313 . 49 ALA HB H 0.752 . 1
314 . 49 ALA C C 179.399 . 1
315 . 50 GLU N N 121.749 . 1
316 . 50 GLU H H 8.630 . 1
317 . 50 GLU CA C 59.117 . 1
318 . 50 GLU HA H 3.714 . 1
319 . 50 GLU CB C 29.385 . 1
320 . 50 GLU HB2 H 1.845 . 2
321 . 50 GLU CG C 35.811 . 1
322 . 51 ARG N N 112.020 . 1
323 . 51 ARG H H 7.554 . 1
324 . 51 ARG CA C 56.056 . 1
325 . 51 ARG HA H 4.185 . 1
326 . 51 ARG CB C 29.478 . 1
327 . 51 ARG HB3 H 1.841 . 2
328 . 51 ARG HB2 H 1.710 . 2
329 . 51 ARG CG C 26.724 . 1
330 . 51 ARG CD C 43.246 . 1
331 . 51 ARG C C 175.855 . 1
332 . 52 SER N N 115.400 . 1
333 . 52 SER H H 7.608 . 1
334 . 52 SER CA C 56.494 . 1
335 . 52 SER HA H 4.485 . 1
336 . 52 SER CB C 64.364 . 1
337 . 52 SER HB3 H 3.704 . 2
338 . 52 SER HB2 H 3.531 . 2
339 . 52 SER C C 174.322 . 1
340 . 53 LYS N N 121.791 . 1
341 . 53 LYS H H 8.556 . 1
342 . 53 LYS CA C 56.464 . 1
343 . 53 LYS HA H 4.137 . 1
344 . 53 LYS CB C 33.320 . 1
345 . 53 LYS HB3 H 1.836 . 2
346 . 53 LYS HB2 H 1.663 . 2
347 . 53 LYS CG C 24.797 . 1
348 . 53 LYS CD C 28.652 . 1
349 . 53 LYS CE C 42.145 . 1
350 . 53 LYS C C 176.778 . 1
351 . 54 THR N N 112.539 . 1
352 . 54 THR H H 7.686 . 1
353 . 54 THR CA C 60.866 . 1
354 . 54 THR HA H 4.266 . 1
355 . 54 THR CB C 70.485 . 1
356 . 54 THR HB H 3.962 . 1
357 . 54 THR CG2 C 21.753 . 1
358 . 54 THR C C 174.003 . 1
359 . 55 PHE N N 121.565 . 1
360 . 55 PHE H H 8.784 . 1
361 . 55 PHE CA C 58.680 . 1
362 . 55 PHE HA H 4.448 . 1
363 . 55 PHE CB C 40.753 . 1
364 . 55 PHE HB3 H 2.609 . 2
365 . 55 PHE HB2 H 2.530 . 2
366 . 55 PHE C C 177.185 . 1
367 . 56 THR N N 120.436 . 1
368 . 56 THR H H 8.766 . 1
369 . 56 THR CA C 62.615 . 1
370 . 56 THR HA H 4.312 . 1
371 . 56 THR CB C 69.611 . 1
372 . 56 THR HG2 H 1.405 . 1
373 . 56 THR CG2 C 22.088 . 1
374 . 56 THR C C 178.129 . 1
375 . 57 THR N N 119.796 . 1
376 . 57 THR H H 8.436 . 1
377 . 57 THR CA C 60.429 . 1
378 . 57 THR HA H 5.312 . 1
379 . 57 THR CB C 70.923 . 1
380 . 57 THR HB H 3.879 . 1
381 . 57 THR CG2 C 20.835 . 1
382 . 57 THR C C 174.278 . 1
383 . 58 TRP N N 122.745 . 1
384 . 58 TRP H H 9.156 . 1
385 . 58 TRP CA C 56.056 . 1
386 . 58 TRP HA H 3.670 . 1
387 . 58 TRP CB C 32.008 . 1
388 . 58 TRP HB2 H 3.356 . 2
389 . 58 TRP C C 175.242 . 1
390 . 59 MET N N 121.832 . 1
391 . 59 MET H H 8.611 . 1
392 . 59 MET CA C 54.308 . 1
393 . 59 MET HA H 4.872 . 1
394 . 59 MET CB C 31.571 . 1
395 . 59 MET HB2 H 2.099 . 2
396 . 59 MET C C 176.287 . 1
397 . 60 VAL N N 126.878 . 1
398 . 60 VAL H H 8.642 . 1
399 . 60 VAL CA C 63.489 . 1
400 . 60 VAL HA H 4.057 . 1
401 . 60 VAL CB C 31.571 . 1
402 . 60 VAL HB H 2.448 . 1
403 . 60 VAL CG1 C 21.484 . 2
404 . 60 VAL C C 177.360 . 1
405 . 61 LYS N N 129.175 . 1
406 . 61 LYS H H 8.793 . 1
407 . 61 LYS CA C 57.368 . 1
408 . 61 LYS HA H 4.300 . 1
409 . 61 LYS CB C 33.320 . 1
410 . 61 LYS HB2 H 1.871 . 2
411 . 61 LYS CG C 25.158 . 1
412 . 61 LYS CD C 29.101 . 1
413 . 61 LYS CE C 41.841 . 1
414 . 62 ASP N N 118.710 . 1
415 . 62 ASP H H 8.377 . 1
416 . 62 ASP CA C 55.182 . 1
417 . 62 ASP HA H 4.490 . 1
418 . 62 ASP CB C 40.753 . 1
419 . 62 ASP HB3 H 2.883 . 2
420 . 62 ASP HB2 H 2.801 . 2
421 . 63 LEU N N 116.949 . 1
422 . 63 LEU H H 8.700 . 1
423 . 63 LEU CA C 55.534 . 1
424 . 63 LEU HA H 4.443 . 1
425 . 63 LEU CB C 39.879 . 1
426 . 63 LEU HB3 H 1.928 . 2
427 . 63 LEU HB2 H 1.801 . 2
428 . 63 LEU CG C 27.000 . 1
429 . 63 LEU CD1 C 25.348 . 2
430 . 63 LEU CD2 C 23.145 . 2
431 . 63 LEU C C 177.682 . 1
432 . 64 GLN N N 116.833 . 1
433 . 64 GLN H H 7.701 . 1
434 . 64 GLN CA C 56.056 . 1
435 . 64 GLN HA H 4.359 . 1
436 . 64 GLN CB C 29.822 . 1
437 . 64 GLN HB3 H 2.102 . 2
438 . 64 GLN HB2 H 2.044 . 2
439 . 64 GLN CG C 34.481 . 1
440 . 64 GLN C C 175.084 . 1
441 . 65 HIS N N 115.517 . 1
442 . 65 HIS H H 8.339 . 1
443 . 65 HIS CA C 54.745 . 1
444 . 65 HIS HA H 3.354 . 1
445 . 65 HIS CB C 26.324 . 1
446 . 65 HIS HB3 H 3.214 . 2
447 . 65 HIS HB2 H 3.172 . 2
448 . 65 HIS C C 171.346 . 1
449 . 66 HIS N N 112.407 . 1
450 . 66 HIS H H 6.489 . 1
451 . 66 HIS CA C 53.870 . 1
452 . 66 HIS HA H 5.093 . 1
453 . 66 HIS CB C 31.134 . 1
454 . 66 HIS HB3 H 3.179 . 2
455 . 66 HIS HB2 H 2.875 . 2
456 . 66 HIS C C 173.446 . 1
457 . 67 CYS N N 117.460 . 1
458 . 67 CYS H H 9.171 . 1
459 . 67 CYS CA C 56.931 . 1
460 . 67 CYS HA H 4.659 . 1
461 . 67 CYS CB C 30.697 . 1
462 . 67 CYS HB3 H 3.233 . 2
463 . 67 CYS HB2 H 3.096 . 2
464 . 67 CYS C C 171.190 . 1
465 . 68 VAL N N 121.029 . 1
466 . 68 VAL H H 8.393 . 1
467 . 68 VAL CA C 60.866 . 1
468 . 68 VAL HA H 4.747 . 1
469 . 68 VAL CB C 33.757 . 1
470 . 68 VAL HB H 1.401 . 1
471 . 68 VAL CG1 C 21.148 . 2
472 . 68 VAL C C 175.836 . 1
473 . 69 ILE N N 128.062 . 1
474 . 69 ILE H H 8.898 . 1
475 . 69 ILE CA C 61.283 . 1
476 . 69 ILE HA H 3.706 . 1
477 . 69 ILE CB C 39.879 . 1
478 . 69 ILE HB H 1.365 . 1
479 . 69 ILE CG1 C 27.963 . 2
480 . 69 ILE CD1 C 13.236 . 1
481 . 69 ILE CG2 C 16.684 . 2
482 . 69 ILE C C 176.591 . 1
483 . 70 HIS N N 121.614 . 1
484 . 70 HIS H H 8.968 . 1
485 . 70 HIS CA C 55.182 . 1
486 . 70 HIS HA H 4.789 . 1
487 . 70 HIS CB C 29.822 . 1
488 . 70 HIS HB3 H 3.317 . 2
489 . 70 HIS HB2 H 2.837 . 2
490 . 70 HIS C C 173.700 . 1
491 . 71 ASP N N 119.984 . 1
492 . 71 ASP H H 7.997 . 1
493 . 71 ASP CA C 52.121 . 1
494 . 71 ASP HA H 4.864 . 1
495 . 71 ASP CB C 39.879 . 1
496 . 71 ASP HB3 H 2.920 . 2
497 . 71 ASP HB2 H 2.488 . 2
498 . 71 ASP C C 176.571 . 1
499 . 72 ALA N N 123.919 . 1
500 . 72 ALA H H 8.679 . 1
501 . 72 ALA CA C 52.121 . 1
502 . 72 ALA HA H 4.107 . 1
503 . 72 ALA CB C 17.143 . 1
504 . 72 ALA HB H 0.526 . 1
505 . 73 TRP N N 125.365 . 1
506 . 73 TRP H H 10.464 . 1
507 . 73 TRP CA C 58.243 . 1
508 . 73 TRP HA H 4.623 . 1
509 . 73 TRP CB C 33.320 . 1
510 . 73 TRP HB2 H 3.884 . 2
511 . 73 TRP C C 173.335 . 1
512 . 74 SER N N 118.704 . 1
513 . 74 SER H H 8.372 . 1
514 . 74 SER CA C 59.554 . 1
515 . 74 SER HA H 4.227 . 1
516 . 74 SER CB C 63.653 . 1
517 . 74 SER HB3 H 3.883 . 2
518 . 74 SER HB2 H 3.826 . 2
519 . 75 GLY N N 109.950 . 1
520 . 75 GLY H H 8.769 . 1
521 . 75 GLY CA C 45.993 . 1
522 . 75 GLY HA3 H 4.095 . 2
523 . 75 GLY HA2 H 3.575 . 2
524 . 75 GLY C C 173.555 . 1
525 . 76 LEU N N 118.377 . 1
526 . 76 LEU H H 7.483 . 1
527 . 76 LEU CA C 53.433 . 1
528 . 76 LEU HA H 4.875 . 1
529 . 76 LEU CB C 43.814 . 1
530 . 76 LEU HB3 H 1.706 . 2
531 . 76 LEU HB2 H 1.534 . 2
532 . 76 LEU CG C 26.161 . 1
533 . 76 LEU CD1 C 22.568 . 2
534 . 76 LEU C C 176.667 . 1
535 . 77 ARG N N 123.245 . 1
536 . 77 ARG H H 8.920 . 1
537 . 77 ARG CA C 57.368 . 1
538 . 77 ARG HA H 4.747 . 1
539 . 77 ARG CB C 31.134 . 1
540 . 77 ARG HB3 H 1.840 . 2
541 . 77 ARG HB2 H 1.707 . 2
542 . 77 ARG CG C 27.294 . 1
543 . 77 ARG CD C 44.321 . 1
544 . 77 ARG C C 176.866 . 1
545 . 78 HIS N N 123.475 . 1
546 . 78 HIS H H 9.667 . 1
547 . 78 HIS CA C 55.619 . 1
548 . 78 HIS HA H 5.181 . 1
549 . 78 HIS CB C 31.571 . 1
550 . 78 HIS HB2 H 2.791 . 2
551 . 78 HIS C C 173.700 . 1
552 . 79 VAL N N 118.247 . 1
553 . 79 VAL H H 8.935 . 1
554 . 79 VAL CA C 60.866 . 1
555 . 79 VAL HA H 4.748 . 1
556 . 79 VAL CB C 34.195 . 1
557 . 79 VAL HB H 1.797 . 1
558 . 79 VAL CG1 C 20.896 . 2
559 . 79 VAL C C 175.238 . 1
560 . 80 VAL N N 124.587 . 1
561 . 80 VAL H H 9.186 . 1
562 . 80 VAL CA C 60.429 . 1
563 . 80 VAL HA H 5.092 . 1
564 . 80 VAL CB C 35.069 . 1
565 . 80 VAL HB H 1.796 . 1
566 . 80 VAL CG1 C 21.239 . 2
567 . 80 VAL C C 175.916 . 1
568 . 81 GLN N N 121.350 . 1
569 . 81 GLN H H 9.103 . 1
570 . 81 GLN CA C 54.745 . 1
571 . 81 GLN HA H 4.528 . 1
572 . 81 GLN CB C 37.255 . 1
573 . 81 GLN C C 173.334 . 1
574 . 82 LEU N N 118.621 . 1
575 . 82 LEU H H 8.610 . 1
576 . 82 LEU CA C 54.922 . 1
577 . 82 LEU HA H 5.873 . 1
578 . 82 LEU CB C 49.281 . 1
579 . 82 LEU HB2 H 1.231 . 2
580 . 82 LEU CG C 28.735 . 1
581 . 82 LEU CD1 C 25.680 . 2
582 . 82 LEU CD2 C 24.210 . 2
583 . 82 LEU C C 176.067 . 1
584 . 83 ARG N N 115.660 . 1
585 . 83 ARG H H 8.659 . 1
586 . 83 ARG CA C 54.581 . 1
587 . 83 ARG HA H 4.405 . 1
588 . 83 ARG CB C 33.320 . 1
589 . 83 ARG C C 173.793 . 1
590 . 84 ALA N N 121.939 . 1
591 . 84 ALA H H 8.846 . 1
592 . 84 ALA CA C 49.935 . 1
593 . 84 ALA HA H 5.571 . 1
594 . 84 ALA CB C 25.450 . 1
595 . 84 ALA HB H 1.057 . 1
596 . 84 ALA C C 174.756 . 1
597 . 85 GLN N N 119.103 . 1
598 . 85 GLN H H 8.091 . 1
599 . 85 GLN CA C 53.433 . 1
600 . 85 GLN HA H 3.823 . 1
601 . 85 GLN CB C 30.697 . 1
602 . 85 GLN CG C 36.638 . 1
603 . 85 GLN C C 172.016 . 1
604 . 86 GLU N N 126.966 . 1
605 . 86 GLU H H 8.761 . 1
606 . 86 GLU CA C 59.157 . 1
607 . 88 PHE CA C 57.805 . 1
608 . 88 PHE HA H 4.661 . 1
609 . 88 PHE CB C 37.692 . 1
610 . 88 PHE HB3 H 3.359 . 2
611 . 88 PHE HB2 H 3.226 . 2
612 . 88 PHE C C 177.122 . 1
613 . 89 GLY N N 108.152 . 1
614 . 89 GLY H H 8.304 . 1
615 . 89 GLY CA C 45.563 . 1
616 . 89 GLY HA3 H 3.779 . 2
617 . 89 GLY HA2 H 3.363 . 2
618 . 90 GLN N N 118.988 . 1
619 . 90 GLN H H 8.524 . 1
620 . 90 GLN CA C 55.182 . 1
621 . 90 GLN HA H 4.225 . 1
622 . 90 GLN CB C 28.948 . 1
623 . 90 GLN HB3 H 2.012 . 2
624 . 90 GLN HB2 H 1.793 . 2
625 . 90 GLN CG C 34.167 . 1
626 . 90 GLN C C 176.222 . 1
627 . 91 GLY N N 107.154 . 1
628 . 91 GLY H H 8.193 . 1
629 . 91 GLY CA C 44.688 . 1
630 . 91 GLY HA2 H 3.973 . 2
631 . 91 GLY C C 176.471 . 1
632 . 92 GLU N N 118.139 . 1
633 . 92 GLU H H 8.429 . 1
634 . 92 GLU CA C 55.182 . 1
635 . 92 GLU CB C 31.134 . 1
636 . 95 GLU N N 122.709 . 1
637 . 95 GLU H H 8.443 . 1
638 . 97 SER N N 118.361 . 1
639 . 97 SER H H 8.335 . 1
640 . 98 PRO CA C 63.148 . 1
641 . 98 PRO HA H 4.616 . 1
642 . 98 PRO CB C 31.453 . 1
643 . 98 PRO HB3 H 2.490 . 2
644 . 98 PRO HB2 H 1.922 . 2
645 . 98 PRO CG C 28.159 . 1
646 . 98 PRO CD C 50.131 . 1
647 . 98 PRO C C 178.022 . 1
648 . 99 GLU N N 122.762 . 1
649 . 99 GLU H H 9.035 . 1
650 . 99 GLU CA C 58.243 . 1
651 . 99 GLU HA H 3.880 . 1
652 . 99 GLU CB C 30.259 . 1
653 . 99 GLU HB3 H 1.976 . 2
654 . 99 GLU HB2 H 1.751 . 2
655 . 99 GLU CG C 36.688 . 1
656 . 99 GLU C C 175.751 . 1
657 . 100 ALA N N 126.756 . 1
658 . 100 ALA H H 8.751 . 1
659 . 100 ALA CA C 50.372 . 1
660 . 100 ALA HA H 4.841 . 1
661 . 100 ALA CB C 21.515 . 1
662 . 100 ALA HB H 1.316 . 1
663 . 100 ALA C C 176.227 . 1
664 . 101 MET N N 117.978 . 1
665 . 101 MET H H 8.647 . 1
666 . 101 MET CA C 53.870 . 1
667 . 101 MET HA H 5.959 . 1
668 . 101 MET CB C 35.944 . 1
669 . 101 MET HB3 H 2.104 . 2
670 . 101 MET HB2 H 1.919 . 2
671 . 101 MET CG C 33.039 . 1
672 . 101 MET C C 177.189 . 1
673 . 102 GLY N N 105.387 . 1
674 . 102 GLY H H 8.375 . 1
675 . 102 GLY CA C 45.563 . 1
676 . 102 GLY HA3 H 4.491 . 2
677 . 102 GLY HA2 H 3.572 . 2
678 . 102 GLY C C 171.573 . 1
679 . 103 THR N N 118.656 . 1
680 . 103 THR H H 8.507 . 1
681 . 103 THR CA C 59.117 . 1
682 . 103 THR CB C 71.797 . 1
683 . 104 PRO CA C 59.218 . 1
684 . 104 PRO HA H 3.972 . 1
685 . 104 PRO CB C 28.101 . 1
686 . 104 PRO HB2 H 2.261 . 2
687 . 104 PRO C C 178.150 . 1
688 . 105 TRP N N 121.237 . 1
689 . 105 TRP H H 8.256 . 1
690 . 105 TRP CA C 59.117 . 1
691 . 105 TRP HA H 4.141 . 1
692 . 105 TRP CB C 29.822 . 1
693 . 105 TRP HB3 H 3.085 . 2
694 . 105 TRP HB2 H 2.825 . 2
695 . 105 TRP C C 175.818 . 1
696 . 106 THR N N 118.365 . 1
697 . 106 THR H H 7.120 . 1
698 . 106 THR CA C 59.554 . 1
699 . 106 THR HA H 3.968 . 1
700 . 106 THR CB C 71.360 . 1
701 . 106 THR HB H 3.791 . 1
702 . 106 THR CG2 C 21.217 . 1
703 . 106 THR C C 172.186 . 1
704 . 107 GLU N N 121.991 . 1
705 . 107 GLU H H 7.933 . 1
706 . 107 GLU CA C 56.494 . 1
707 . 107 GLU HA H 3.572 . 1
708 . 107 GLU CB C 29.822 . 1
709 . 107 GLU HB2 H 1.792 . 2
710 . 107 GLU CG C 36.067 . 1
711 . 107 GLU C C 176.541 . 1
712 . 108 SER N N 117.559 . 1
713 . 108 SER H H 8.268 . 1
714 . 108 SER CA C 58.243 . 1
715 . 108 SER HA H 4.344 . 1
716 . 108 SER CB C 63.489 . 1
717 . 108 SER HB2 H 3.780 . 2
718 . 108 SER C C 174.292 . 1
719 . 109 ARG N N 123.469 . 1
720 . 109 ARG H H 8.375 . 1
721 . 109 ARG CA C 56.056 . 1
722 . 109 ARG HA H 4.309 . 1
723 . 109 ARG CB C 31.134 . 1
724 . 109 ARG HB3 H 1.791 . 2
725 . 109 ARG HB2 H 1.706 . 2
726 . 109 ARG CG C 27.016 . 1
727 . 109 ARG CD C 43.219 . 1
728 . 109 ARG C C 175.227 . 1
729 . 110 SER N N 116.669 . 1
730 . 110 SER H H 8.191 . 1
731 . 110 SER CA C 54.745 . 1
732 . 110 SER CB C 64.364 . 1
733 . 112 PRO CA C 63.074 . 1
734 . 112 PRO HA H 4.397 . 1
735 . 112 PRO CB C 31.921 . 1
736 . 112 PRO HB3 H 2.314 . 2
737 . 112 PRO HB2 H 1.924 . 2
738 . 112 PRO CG C 27.284 . 1
739 . 112 PRO CD C 50.408 . 1
740 . 112 PRO C C 176.869 . 1
741 . 113 ALA N N 124.019 . 1
742 . 113 ALA H H 8.450 . 1
743 . 113 ALA CA C 52.121 . 1
744 . 113 ALA HA H 4.316 . 1
745 . 113 ALA CB C 19.329 . 1
746 . 113 ALA HB H 1.409 . 1
747 . 114 GLU N N 119.962 . 1
748 . 114 GLU H H 8.399 . 1
749 . 114 GLU CA C 56.056 . 1
750 . 114 GLU HA H 4.300 . 1
751 . 114 GLU CB C 30.259 . 1
752 . 114 GLU HB3 H 2.096 . 2
753 . 114 GLU HB2 H 1.923 . 2
754 . 114 GLU CG C 35.536 . 1
755 . 115 ASN N N 124.027 . 1
756 . 115 ASN H H 8.038 . 1
757 . 115 ASN CA C 54.745 . 1
758 . 115 ASN HA H 4.363 . 1
759 . 115 ASN CB C 40.316 . 1
760 . 115 ASN HB3 H 2.974 . 2
761 . 116 GLU N N 121.351 . 1
762 . 116 GLU H H 8.851 . 1
763 . 116 GLU CA C 56.056 . 1
764 . 116 GLU HA H 4.436 . 1
765 . 116 GLU CB C 30.259 . 1
766 . 116 GLU HB3 H 2.092 . 2
767 . 116 GLU HB2 H 1.919 . 2
768 . 116 GLU CG C 35.458 . 1
769 . 116 GLU C C 176.502 . 1
770 . 117 VAL N N 121.511 . 1
771 . 117 VAL H H 8.362 . 1
772 . 117 VAL CA C 62.178 . 1
773 . 117 VAL HA H 4.218 . 1
774 . 117 VAL CB C 32.883 . 1
775 . 117 VAL HB H 2.092 . 1
776 . 117 VAL CG1 C 20.619 . 2
777 . 117 VAL C C 176.089 . 1
778 . 118 SER N N 119.980 . 1
779 . 118 SER H H 8.565 . 1
780 . 118 SER CA C 58.243 . 1
781 . 118 SER HA H 4.533 . 1
782 . 118 SER CB C 63.927 . 1
783 . 118 SER HB3 H 3.664 . 2
784 . 118 SER HB2 H 3.839 . 2
785 . 118 SER C C 176.332 . 1
786 . 119 THR N N 118.516 . 1
787 . 119 THR H H 8.287 . 1
788 . 119 THR CA C 59.554 . 1
789 . 119 THR CB C 69.611 . 1
790 . 120 PRO CA C 63.140 . 1
791 . 120 PRO HA H 4.400 . 1
792 . 120 PRO CB C 32.322 . 1
793 . 120 PRO HB3 H 2.317 . 2
794 . 120 PRO HB2 H 1.883 . 2
795 . 120 PRO CG C 27.356 . 1
796 . 120 PRO CD C 51.041 . 1
797 . 120 PRO C C 177.986 . 1
798 . 121 MET N N 120.659 . 1
799 . 121 MET H H 8.491 . 1
800 . 121 MET CA C 55.619 . 1
801 . 121 MET HA H 4.444 . 1
802 . 121 MET CB C 32.883 . 1
803 . 121 MET HB3 H 2.013 . 2
804 . 121 MET HB2 H 2.100 . 2
805 . 121 MET CG C 31.956 . 1
806 . 122 GLN N N 125.900 . 1
807 . 122 GLN H H 7.993 . 1
808 . 122 GLN CA C 57.368 . 1
809 . 122 GLN HA H 4.047 . 1
810 . 122 GLN CB C 30.259 . 1
811 . 122 GLN HB2 H 2.137 . 2
812 . 122 GLN CG C 32.783 . 1
813 . 122 GLN C C 172.745 . 1
814 . 123 ALA N N 127.085 . 1
815 . 123 ALA H H 8.799 . 1
816 . 123 ALA CA C 52.347 . 1
817 . 123 ALA HA H 4.397 . 1
818 . 123 ALA CB C 19.329 . 1
819 . 123 ALA HB H 1.402 . 1
820 . 124 LEU N N 122.148 . 1
821 . 124 LEU H H 8.518 . 1
822 . 124 LEU CA C 54.444 . 1
823 . 124 LEU HA H 4.147 . 1
824 . 124 LEU CB C 42.597 . 1
825 . 124 LEU HB2 H 1.760 . 2
826 . 124 LEU CG C 26.632 . 1
827 . 124 LEU CD1 C 23.872 . 2
828 . 125 THR N N 118.072 . 1
829 . 125 THR H H 8.698 . 1
830 . 125 THR CA C 61.971 . 1
831 . 125 THR HA H 4.490 . 1
832 . 125 THR CB C 69.681 . 1
833 . 125 THR HB H 4.230 . 1
834 . 125 THR CG2 C 21.492 . 1
835 . 126 THR N N 121.944 . 1
836 . 126 THR H H 7.978 . 1
837 . 126 THR CA C 63.052 . 1
838 . 126 THR CB C 70.485 . 1
stop_
save_