data_17008
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR Structure of Peptide methionine sulfoxide reductase msrB from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR10
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ertekin Asli . .
2 Cooper Bonnie . .
3 Ciccosanti Colleen . .
4 Rost Burkhard . .
5 Acton Thomas B. .
6 Xiao Rong . .
7 Everett John K. .
8 Montelione Gaetano T. .
9 Rossi Paolo . .
10 Maglaqui Melissa . .
11 Janjua Haleema . .
12 Prestegard James . .
13 Lee Hsiau-Wei . .
14 Aramini James M. .
stop_
_BMRB_accession_number 17008
_BMRB_flat_file_name bmr17008.str
_Entry_type new
_Submission_date 2010-06-18
_Accession_date 2010-06-18
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
spectral_peak_list 6
stop_
loop_
_Data_type
_Data_type_count
'13C chemical shifts' 456
'1H chemical shifts' 276
'15N chemical shifts' 140
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-07-07 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
5619 'Resonance assignments for SR10'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Northeast Structural Genomics Consortium Target SR10'
_Citation_status 'in preparation'
_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 Ertekin Asli . .
2 Xiao R. . .
3 Montelione G. T. .
stop_
_Journal_abbreviation 'To be published'
_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 SR10
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
SR10 $SR10
stop_
_System_molecular_weight 16600
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_SR10
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common SR10
_Molecular_mass 17145.258
_Mol_thiol_state 'all free'
loop_
_Biological_function
'Peptide Methionine Sulfoxide reductase'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 151
_Mol_residue_sequence
;
MAYNKEEKIKSLNRMQYEVT
QNNGTEPPFQNEYWDHKEEG
LYVDIVSGKPLFTSKDKFDS
QCGWPSFTKPIEEEVEEKLD
TSHGMIRTEVRSRTADSHLG
HVFNDGPGPNGLRYCINSAA
LRFVPKHKLKEEGYESYLHL
FNKLEHHHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 TYR 4 ASN 5 LYS
6 GLU 7 GLU 8 LYS 9 ILE 10 LYS
11 SER 12 LEU 13 ASN 14 ARG 15 MET
16 GLN 17 TYR 18 GLU 19 VAL 20 THR
21 GLN 22 ASN 23 ASN 24 GLY 25 THR
26 GLU 27 PRO 28 PRO 29 PHE 30 GLN
31 ASN 32 GLU 33 TYR 34 TRP 35 ASP
36 HIS 37 LYS 38 GLU 39 GLU 40 GLY
41 LEU 42 TYR 43 VAL 44 ASP 45 ILE
46 VAL 47 SER 48 GLY 49 LYS 50 PRO
51 LEU 52 PHE 53 THR 54 SER 55 LYS
56 ASP 57 LYS 58 PHE 59 ASP 60 SER
61 GLN 62 CYS 63 GLY 64 TRP 65 PRO
66 SER 67 PHE 68 THR 69 LYS 70 PRO
71 ILE 72 GLU 73 GLU 74 GLU 75 VAL
76 GLU 77 GLU 78 LYS 79 LEU 80 ASP
81 THR 82 SER 83 HIS 84 GLY 85 MET
86 ILE 87 ARG 88 THR 89 GLU 90 VAL
91 ARG 92 SER 93 ARG 94 THR 95 ALA
96 ASP 97 SER 98 HIS 99 LEU 100 GLY
101 HIS 102 VAL 103 PHE 104 ASN 105 ASP
106 GLY 107 PRO 108 GLY 109 PRO 110 ASN
111 GLY 112 LEU 113 ARG 114 TYR 115 CYS
116 ILE 117 ASN 118 SER 119 ALA 120 ALA
121 LEU 122 ARG 123 PHE 124 VAL 125 PRO
126 LYS 127 HIS 128 LYS 129 LEU 130 LYS
131 GLU 132 GLU 133 GLY 134 TYR 135 GLU
136 SER 137 TYR 138 LEU 139 HIS 140 LEU
141 PHE 142 ASN 143 LYS 144 LEU 145 GLU
146 HIS 147 HIS 148 HIS 149 HIS 150 HIS
151 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2011-12-03
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 5619 MsrB 100.00 151 100.00 100.00 3.20e-85
PDB 2KZN "Solution Nmr Structure Of Peptide Methionine Sulfoxide Reductase Msrb From Bacillus Subtilis, Northeast Structural Genomics Con" 100.00 151 100.00 100.00 3.20e-85
PDB 3E0O "Crystal Structure Of Msrb" 94.70 144 100.00 100.00 2.35e-80
GB AEP91184 "methionine-R-sulfoxide reductase [Bacillus subtilis subsp. subtilis RO-NN-1]" 95.36 144 97.92 98.61 2.65e-74
REF NP_390051 "methionine sulfoxide reductase B [Bacillus subtilis subsp. subtilis str. 168]" 94.70 143 100.00 100.00 2.29e-80
REF YP_004203921 "methionine sulfoxide reductase B [Bacillus subtilis BSn5]" 95.36 144 98.61 98.61 1.93e-74
stop_
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
$SR10 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis BSU21680
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
$SR10 'recombinant technology' . Escherichia coli BL21(DE3)pMgK 'pET 14-15C'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_SR10.026
_Saveframe_category sample
_Sample_type solution
_Details 'U-2H,13C,15N-selectively 1H Leu HD1,2;Val HG1,2;Ile HD1'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$SR10 0.8 mM '[U-100% 13C; U-100% 15N; U-100% 2H]'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
'protease inhibitor' 1 x 'natural abundance'
MES 20 mM 'natural abundance'
DSS 50 uM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_SR10.022
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$SR10 1.2 mM '[U-5% 13C; U-100% 15N]'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
'protease inhibitor' 1 x 'natural abundance'
MES 20 mM 'natural abundance'
DSS 50 uM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_SR10.022_2
_Saveframe_category sample
_Sample_type solution
_Details 'Anisotropic sample containing phage'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$SR10 1.2 mM '[U-5% 13C; U-100% 15N]'
DTT 10 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
'calcium chloride' 5 mM 'natural abundance'
'sodium chloride' 200 mM 'natural abundance'
'protease inhibitor' 1 x 'natural abundance'
MES 20 mM 'natural abundance'
DSS 50 uM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinemen
'structure solution'
'geometry optimization'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
'geometry optimization'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
'peak picking'
stop_
_Details .
save_
save_TALOS+
_Saveframe_category software
_Name TALOS+
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Shen, Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'geometry optimization'
stop_
_Details .
save_
save_PALES
_Saveframe_category software
_Name PALES
_Version .
loop_
_Vendor
_Address
_Electronic_address
'PALES (Zweckstetter, Bax)' . .
stop_
loop_
_Task
'geometry optimization'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $SR10.026
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $SR10.026
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $SR10.026
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $SR10.026
save_
save_3D_TRHNCACB_2H_dec_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D TRHNCACB 2H dec'
_Sample_label $SR10.026
save_
save_3D_HN(CA)CO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $SR10.026
save_
save_2D_1H-15N_HSQC_-_T1_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC - T1'
_Sample_label $SR10.026
save_
save_2D_1H-15N_HSQC_-_T2_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC - T2'
_Sample_label $SR10.026
save_
save_3D_1H-15N_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $SR10.026
save_
save_3D_1H-13C_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $SR10.026
save_
save_3D_(N15)HSQC-NOESY-(N15)HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (N15)HSQC-NOESY-(N15)HSQC'
_Sample_label $SR10.026
save_
save_3D_(C13)HSQC-NOESY-(C13)HSQC_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (C13)HSQC-NOESY-(C13)HSQC'
_Sample_label $SR10.026
save_
save_3D_(N15)HSQC-NOESY-(C13)HSQC_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (N15)HSQC-NOESY-(C13)HSQC'
_Sample_label $SR10.026
save_
save_3D_(C13)HSQC-NOESY-(N15)HSQC_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (C13)HSQC-NOESY-(N15)HSQC'
_Sample_label $SR10.026
save_
save_2D_1H-13C_HSQC_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $SR10.022
save_
save_2D_1H-15N_TROSY_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N TROSY'
_Sample_label $SR10.022_2
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 . 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 H 1 'methyl protons' ppm 0 internal direct . . . 1.00
DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0 internal 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 'Talos+ corrections for 2H shift effect on CA,CB = -0.491ppm and on C'=-0.543ppm was applied.'
loop_
_Software_label
$SPARKY
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'3D TRHNCACB 2H dec'
'3D HN(CA)CO'
stop_
loop_
_Sample_label
$SR10.026
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name SR10
_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 3 3 TYR C C 174.383 0.3 1
2 3 3 TYR CA C 57.651 0.3 1
3 3 3 TYR CB C 39.017 0.3 1
4 4 4 ASN H H 8.357 0.03 1
5 4 4 ASN C C 174.942 0.3 1
6 4 4 ASN CA C 52.342 0.3 1
7 4 4 ASN CB C 39.088 0.3 1
8 4 4 ASN N N 124.515 0.3 1
9 5 5 LYS H H 8.496 0.03 1
10 5 5 LYS C C 177.536 0.3 1
11 5 5 LYS CA C 60.228 0.3 1
12 5 5 LYS CB C 32.352 0.3 1
13 5 5 LYS N N 126.391 0.3 1
14 6 6 GLU H H 8.283 0.03 1
15 6 6 GLU C C 179.826 0.3 1
16 6 6 GLU CA C 60.286 0.3 1
17 6 6 GLU CB C 28.707 0.3 1
18 6 6 GLU N N 117.538 0.3 1
19 7 7 GLU H H 7.924 0.03 1
20 7 7 GLU C C 180.131 0.3 1
21 7 7 GLU CA C 58.813 0.3 1
22 7 7 GLU CB C 29.444 0.3 1
23 7 7 GLU N N 118.124 0.3 1
24 8 8 LYS H H 8.140 0.03 1
25 8 8 LYS C C 181.502 0.3 1
26 8 8 LYS CA C 57.330 0.3 1
27 8 8 LYS CB C 31.081 0.3 1
28 8 8 LYS N N 119.832 0.3 1
29 9 9 ILE H H 8.650 0.03 1
30 9 9 ILE HD1 H 0.822 0.03 1
31 9 9 ILE C C 178.965 0.3 1
32 9 9 ILE CA C 65.171 0.3 1
33 9 9 ILE CB C 36.974 0.3 1
34 9 9 ILE CD1 C 13.826 0.3 1
35 9 9 ILE N N 119.228 0.3 1
36 10 10 LYS H H 7.587 0.03 1
37 10 10 LYS C C 177.608 0.3 1
38 10 10 LYS CA C 58.752 0.3 1
39 10 10 LYS CB C 31.939 0.3 1
40 10 10 LYS N N 118.819 0.3 1
41 11 11 SER H H 7.595 0.03 1
42 11 11 SER C C 174.643 0.3 1
43 11 11 SER CA C 59.108 0.3 1
44 11 11 SER CB C 64.488 0.3 1
45 11 11 SER N N 112.198 0.3 1
46 12 12 LEU H H 7.281 0.03 1
47 12 12 LEU HD1 H 0.822 0.03 1
48 12 12 LEU HD2 H 0.744 0.03 1
49 12 12 LEU C C 178.383 0.3 1
50 12 12 LEU CA C 55.038 0.3 1
51 12 12 LEU CB C 41.407 0.3 1
52 12 12 LEU CD1 C 26.010 0.3 1
53 12 12 LEU CD2 C 21.585 0.3 1
54 12 12 LEU N N 121.415 0.3 1
55 13 13 ASN H H 8.858 0.03 1
56 13 13 ASN HD21 H 8.353 0.03 2
57 13 13 ASN HD22 H 7.199 0.03 2
58 13 13 ASN C C 175.733 0.3 1
59 13 13 ASN CA C 51.887 0.3 1
60 13 13 ASN CB C 37.371 0.3 1
61 13 13 ASN N N 119.891 0.3 1
62 13 13 ASN ND2 N 116.409 0.3 1
63 14 14 ARG H H 8.331 0.03 1
64 14 14 ARG C C 179.356 0.3 1
65 14 14 ARG CA C 60.053 0.3 1
66 14 14 ARG CB C 29.457 0.3 1
67 14 14 ARG N N 116.613 0.3 1
68 15 15 MET H H 8.348 0.03 1
69 15 15 MET C C 178.879 0.3 1
70 15 15 MET CA C 57.199 0.3 1
71 15 15 MET CB C 30.916 0.3 1
72 15 15 MET N N 120.120 0.3 1
73 16 16 GLN H H 8.839 0.03 1
74 16 16 GLN HE21 H 6.788 0.03 2
75 16 16 GLN HE22 H 7.862 0.03 2
76 16 16 GLN C C 181.123 0.3 1
77 16 16 GLN CA C 58.693 0.3 1
78 16 16 GLN CB C 29.050 0.3 1
79 16 16 GLN N N 117.689 0.3 1
80 16 16 GLN NE2 N 111.582 0.3 1
81 17 17 TYR H H 9.162 0.03 1
82 17 17 TYR C C 177.265 0.3 1
83 17 17 TYR CA C 62.776 0.3 1
84 17 17 TYR CB C 38.559 0.3 1
85 17 17 TYR N N 122.699 0.3 1
86 18 18 GLU H H 8.935 0.03 1
87 18 18 GLU C C 180.769 0.3 1
88 18 18 GLU CA C 59.241 0.3 1
89 18 18 GLU CB C 29.054 0.3 1
90 18 18 GLU N N 121.325 0.3 1
91 19 19 VAL H H 8.639 0.03 1
92 19 19 VAL HG1 H 0.952 0.03 1
93 19 19 VAL HG2 H 0.883 0.03 1
94 19 19 VAL C C 177.537 0.3 1
95 19 19 VAL CA C 65.857 0.3 1
96 19 19 VAL CB C 32.215 0.3 1
97 19 19 VAL CG1 C 20.618 0.3 1
98 19 19 VAL CG2 C 22.683 0.3 1
99 19 19 VAL N N 116.170 0.3 1
100 20 20 THR H H 7.714 0.03 1
101 20 20 THR C C 178.522 0.3 1
102 20 20 THR CA C 65.488 0.3 1
103 20 20 THR CB C 69.864 0.3 1
104 20 20 THR N N 104.445 0.3 1
105 21 21 GLN H H 8.617 0.03 1
106 21 21 GLN C C 177.039 0.3 1
107 21 21 GLN CA C 54.915 0.3 1
108 21 21 GLN CB C 27.660 0.3 1
109 21 21 GLN N N 116.141 0.3 1
110 22 22 ASN H H 6.847 0.03 1
111 22 22 ASN HD21 H 8.112 0.03 2
112 22 22 ASN HD22 H 6.892 0.03 2
113 22 22 ASN C C 175.623 0.3 1
114 22 22 ASN CA C 51.649 0.3 1
115 22 22 ASN CB C 39.064 0.3 1
116 22 22 ASN N N 114.530 0.3 1
117 22 22 ASN ND2 N 111.769 0.3 1
118 23 23 ASN H H 7.109 0.03 1
119 23 23 ASN C C 174.866 0.3 1
120 23 23 ASN CA C 54.746 0.3 1
121 23 23 ASN CB C 35.710 0.3 1
122 23 23 ASN N N 113.107 0.3 1
123 24 24 GLY H H 8.599 0.03 1
124 24 24 GLY C C 170.885 0.3 1
125 24 24 GLY CA C 44.946 0.3 1
126 24 24 GLY N N 107.998 0.3 1
127 25 25 THR H H 7.808 0.03 1
128 25 25 THR C C 174.567 0.3 1
129 25 25 THR CA C 61.419 0.3 1
130 25 25 THR CB C 72.173 0.3 1
131 25 25 THR N N 110.567 0.3 1
132 26 26 GLU H H 8.761 0.03 1
133 26 26 GLU C C 174.644 0.3 1
134 26 26 GLU CA C 54.112 0.3 1
135 26 26 GLU CB C 27.343 0.3 1
136 26 26 GLU N N 128.340 0.3 1
137 28 28 PRO C C 178.058 0.3 1
138 28 28 PRO CA C 61.715 0.3 1
139 28 28 PRO CB C 29.374 0.3 1
140 29 29 PHE H H 8.171 0.03 1
141 29 29 PHE C C 175.024 0.3 1
142 29 29 PHE CA C 60.446 0.3 1
143 29 29 PHE CB C 35.933 0.3 1
144 29 29 PHE N N 114.356 0.3 1
145 30 30 GLN H H 6.857 0.03 1
146 30 30 GLN C C 174.014 0.3 1
147 30 30 GLN CA C 53.942 0.3 1
148 30 30 GLN CB C 28.203 0.3 1
149 30 30 GLN N N 121.796 0.3 1
150 31 31 ASN H H 7.404 0.03 1
151 31 31 ASN C C 176.174 0.3 1
152 31 31 ASN CA C 53.166 0.3 1
153 31 31 ASN CB C 43.169 0.3 1
154 31 31 ASN N N 113.654 0.3 1
155 32 32 GLU H H 9.582 0.03 1
156 32 32 GLU C C 179.238 0.3 1
157 32 32 GLU CA C 60.990 0.3 1
158 32 32 GLU CB C 30.009 0.3 1
159 32 32 GLU N N 117.636 0.3 1
160 33 33 TYR H H 8.869 0.03 1
161 33 33 TYR C C 179.735 0.3 1
162 33 33 TYR CA C 55.833 0.3 1
163 33 33 TYR CB C 38.846 0.3 1
164 33 33 TYR N N 108.478 0.3 1
165 34 34 TRP H H 7.645 0.03 1
166 34 34 TRP HE1 H 10.004 0.03 1
167 34 34 TRP C C 176.002 0.3 1
168 34 34 TRP CA C 62.420 0.3 1
169 34 34 TRP CB C 25.236 0.3 1
170 34 34 TRP N N 123.131 0.3 1
171 34 34 TRP NE1 N 131.097 0.3 1
172 35 35 ASP H H 7.073 0.03 1
173 35 35 ASP HD2 H 6.03 0.03 1
174 35 35 ASP C C 175.680 0.3 1
175 35 35 ASP CA C 51.736 0.3 1
176 35 35 ASP CB C 37.341 0.3 1
177 35 35 ASP N N 119.481 0.3 1
178 36 36 HIS H H 6.730 0.03 1
179 36 36 HIS C C 177.030 0.3 1
180 36 36 HIS CA C 57.998 0.3 1
181 36 36 HIS CB C 33.073 0.3 1
182 36 36 HIS N N 121.379 0.3 1
183 37 37 LYS H H 8.519 0.03 1
184 37 37 LYS C C 176.716 0.3 1
185 37 37 LYS CA C 55.616 0.3 1
186 37 37 LYS CB C 32.717 0.3 1
187 37 37 LYS N N 124.244 0.3 1
188 38 38 GLU H H 5.264 0.03 1
189 38 38 GLU C C 176.121 0.3 1
190 38 38 GLU CA C 55.551 0.3 1
191 38 38 GLU CB C 30.701 0.3 1
192 38 38 GLU N N 116.911 0.3 1
193 39 39 GLU H H 8.614 0.03 1
194 39 39 GLU C C 178.676 0.3 1
195 39 39 GLU CA C 56.299 0.3 1
196 39 39 GLU CB C 30.665 0.3 1
197 39 39 GLU N N 119.514 0.3 1
198 40 40 GLY H H 9.365 0.03 1
199 40 40 GLY C C 170.885 0.3 1
200 40 40 GLY CA C 45.715 0.3 1
201 40 40 GLY N N 112.230 0.3 1
202 41 41 LEU H H 8.006 0.03 1
203 41 41 LEU HD1 H 0.221 0.03 1
204 41 41 LEU HD2 H 0.508 0.03 1
205 41 41 LEU C C 174.152 0.3 1
206 41 41 LEU CA C 52.597 0.3 1
207 41 41 LEU CB C 46.981 0.3 1
208 41 41 LEU CD1 C 24.894 0.3 1
209 41 41 LEU CD2 C 24.185 0.3 1
210 41 41 LEU N N 118.128 0.3 1
211 42 42 TYR H H 8.963 0.03 1
212 42 42 TYR C C 175.611 0.3 1
213 42 42 TYR CA C 57.536 0.3 1
214 42 42 TYR CB C 38.772 0.3 1
215 42 42 TYR N N 118.398 0.3 1
216 43 43 VAL H H 9.182 0.03 1
217 43 43 VAL HG1 H 0.078 0.03 1
218 43 43 VAL HG2 H 0.690 0.03 1
219 43 43 VAL C C 174.646 0.3 1
220 43 43 VAL CA C 57.528 0.3 1
221 43 43 VAL CB C 33.187 0.3 1
222 43 43 VAL CG1 C 19.871 0.3 1
223 43 43 VAL CG2 C 18.189 0.3 1
224 43 43 VAL N N 118.502 0.3 1
225 44 44 ASP H H 8.579 0.03 1
226 44 44 ASP HD2 H 5.247 0.03 1
227 44 44 ASP C C 179.496 0.3 1
228 44 44 ASP CA C 55.145 0.3 1
229 44 44 ASP CB C 43.968 0.3 1
230 44 44 ASP N N 121.399 0.3 1
231 45 45 ILE H H 8.445 0.03 1
232 45 45 ILE HD1 H 0.925 0.03 1
233 45 45 ILE C C 174.469 0.3 1
234 45 45 ILE CA C 62.061 0.3 1
235 45 45 ILE CB C 38.959 0.3 1
236 45 45 ILE CD1 C 14.919 0.3 1
237 45 45 ILE N N 130.541 0.3 1
238 46 46 VAL H H 8.833 0.03 1
239 46 46 VAL HG1 H 0.917 0.03 1
240 46 46 VAL HG2 H 0.873 0.03 1
241 46 46 VAL C C 177.004 0.3 1
242 46 46 VAL CA C 65.297 0.3 1
243 46 46 VAL CB C 31.792 0.3 1
244 46 46 VAL CG1 C 21.406 0.3 1
245 46 46 VAL CG2 C 22.872 0.3 1
246 46 46 VAL N N 119.900 0.3 1
247 47 47 SER H H 7.216 0.03 1
248 47 47 SER HG H 6.016 0.03 1
249 47 47 SER C C 176.581 0.3 1
250 47 47 SER CA C 58.631 0.3 1
251 47 47 SER CB C 65.376 0.3 1
252 47 47 SER N N 108.079 0.3 1
253 48 48 GLY H H 8.563 0.03 1
254 48 48 GLY C C 175.221 0.3 1
255 48 48 GLY CA C 45.222 0.3 1
256 48 48 GLY N N 110.644 0.3 1
257 49 49 LYS H H 7.852 0.03 1
258 49 49 LYS C C 175.353 0.3 1
259 49 49 LYS CA C 53.368 0.3 1
260 49 49 LYS CB C 31.576 0.3 1
261 49 49 LYS N N 121.046 0.3 1
262 50 50 PRO C C 173.748 0.3 1
263 50 50 PRO CA C 63.954 0.3 1
264 50 50 PRO CB C 32.267 0.3 1
265 51 51 LEU H H 8.049 0.03 1
266 51 51 LEU HD1 H 0.783 0.03 1
267 51 51 LEU HD2 H 0.626 0.03 1
268 51 51 LEU C C 174.646 0.3 1
269 51 51 LEU CA C 55.702 0.3 1
270 51 51 LEU CB C 46.396 0.3 1
271 51 51 LEU CD1 C 27.216 0.3 1
272 51 51 LEU CD2 C 23.652 0.3 1
273 51 51 LEU N N 119.096 0.3 1
274 52 52 PHE H H 7.730 0.03 1
275 52 52 PHE C C 175.648 0.3 1
276 52 52 PHE CA C 55.977 0.3 1
277 52 52 PHE CB C 45.549 0.3 1
278 52 52 PHE N N 110.618 0.3 1
279 53 53 THR H H 9.614 0.03 1
280 53 53 THR C C 175.746 0.3 1
281 53 53 THR CA C 60.059 0.3 1
282 53 53 THR CB C 72.106 0.3 1
283 53 53 THR N N 111.481 0.3 1
284 54 54 SER H H 9.036 0.03 1
285 54 54 SER HG H 5.068 0.03 1
286 54 54 SER C C 177.917 0.3 1
287 54 54 SER CA C 61.199 0.3 1
288 54 54 SER CB C 63.216 0.3 1
289 54 54 SER N N 113.904 0.3 1
290 55 55 LYS H H 7.657 0.03 1
291 55 55 LYS C C 177.645 0.3 1
292 55 55 LYS CA C 57.927 0.3 1
293 55 55 LYS CB C 31.108 0.3 1
294 55 55 LYS N N 121.961 0.3 1
295 56 56 ASP H H 7.366 0.03 1
296 56 56 ASP HD2 H 5.076 0.03 1
297 56 56 ASP C C 174.659 0.3 1
298 56 56 ASP CA C 53.962 0.3 1
299 56 56 ASP CB C 41.919 0.3 1
300 56 56 ASP N N 115.514 0.3 1
301 57 57 LYS H H 7.483 0.03 1
302 57 57 LYS C C 176.413 0.3 1
303 57 57 LYS CA C 56.026 0.3 1
304 57 57 LYS CB C 34.669 0.3 1
305 57 57 LYS N N 124.781 0.3 1
306 58 58 PHE C C 174.009 0.3 1
307 58 58 PHE CA C 55.257 0.3 1
308 58 58 PHE CB C 41.514 0.3 1
309 59 59 ASP H H 8.731 0.03 1
310 59 59 ASP C C 175.988 0.3 1
311 59 59 ASP CA C 54.511 0.3 1
312 59 59 ASP CB C 40.305 0.3 1
313 59 59 ASP N N 120.973 0.3 1
314 60 60 SER H H 8.052 0.03 1
315 60 60 SER CA C 57.060 0.3 1
316 60 60 SER CB C 64.489 0.3 1
317 60 60 SER N N 117.298 0.3 1
318 61 61 GLN C C 175.891 0.3 1
319 61 61 GLN CA C 56.222 0.3 1
320 61 61 GLN CB C 27.700 0.3 1
321 62 62 CYS H H 7.941 0.03 1
322 62 62 CYS C C 174.033 0.3 1
323 62 62 CYS CA C 58.828 0.3 1
324 62 62 CYS CB C 28.391 0.3 1
325 62 62 CYS N N 114.513 0.3 1
326 63 63 GLY H H 7.495 0.03 1
327 63 63 GLY C C 173.220 0.3 1
328 63 63 GLY CA C 44.070 0.3 1
329 63 63 GLY N N 104.935 0.3 1
330 64 64 TRP H H 7.752 0.03 1
331 64 64 TRP HE1 H 9.922 0.03 1
332 64 64 TRP C C 174.253 0.3 1
333 64 64 TRP CA C 58.594 0.3 1
334 64 64 TRP CB C 29.968 0.3 1
335 64 64 TRP N N 120.734 0.3 1
336 64 64 TRP NE1 N 131.756 0.3 1
337 65 65 PRO C C 173.615 0.3 1
338 65 65 PRO CA C 64.150 0.3 1
339 65 65 PRO CB C 30.867 0.3 1
340 66 66 SER H H 8.280 0.03 1
341 66 66 SER C C 171.811 0.3 1
342 66 66 SER CA C 56.906 0.3 1
343 66 66 SER CB C 66.146 0.3 1
344 66 66 SER N N 119.204 0.3 1
345 67 67 PHE H H 8.581 0.03 1
346 67 67 PHE C C 177.877 0.3 1
347 67 67 PHE CA C 55.117 0.3 1
348 67 67 PHE CB C 44.596 0.3 1
349 67 67 PHE N N 117.688 0.3 1
350 68 68 THR H H 10.033 0.03 1
351 68 68 THR C C 175.121 0.3 1
352 68 68 THR CA C 63.659 0.3 1
353 68 68 THR CB C 69.738 0.3 1
354 68 68 THR N N 113.764 0.3 1
355 69 69 LYS H H 7.163 0.03 1
356 69 69 LYS C C 172.966 0.3 1
357 69 69 LYS CA C 54.196 0.3 1
358 69 69 LYS CB C 32.284 0.3 1
359 69 69 LYS N N 113.665 0.3 1
360 70 70 PRO C C 176.861 0.3 1
361 70 70 PRO CA C 60.948 0.3 1
362 70 70 PRO CB C 32.414 0.3 1
363 71 71 ILE H H 7.457 0.03 1
364 71 71 ILE HD1 H 0.394 0.03 1
365 71 71 ILE C C 176.602 0.3 1
366 71 71 ILE CA C 62.088 0.3 1
367 71 71 ILE CB C 36.157 0.3 1
368 71 71 ILE CD1 C 13.214 0.3 1
369 71 71 ILE N N 119.751 0.3 1
370 72 72 GLU H H 8.237 0.03 1
371 72 72 GLU C C 177.623 0.3 1
372 72 72 GLU CA C 59.126 0.3 1
373 72 72 GLU CB C 29.101 0.3 1
374 72 72 GLU N N 125.983 0.3 1
375 73 73 GLU H H 8.816 0.03 1
376 73 73 GLU C C 177.013 0.3 1
377 73 73 GLU CA C 58.202 0.3 1
378 73 73 GLU CB C 28.395 0.3 1
379 73 73 GLU N N 115.791 0.3 1
380 74 74 GLU H H 7.567 0.03 1
381 74 74 GLU C C 177.153 0.3 1
382 74 74 GLU CA C 55.395 0.3 1
383 74 74 GLU CB C 31.450 0.3 1
384 74 74 GLU N N 116.051 0.3 1
385 75 75 VAL H H 7.751 0.03 1
386 75 75 VAL HG1 H 0.620 0.03 1
387 75 75 VAL HG2 H 0.522 0.03 1
388 75 75 VAL C C 174.229 0.3 1
389 75 75 VAL CA C 61.247 0.3 1
390 75 75 VAL CB C 33.856 0.3 1
391 75 75 VAL CG1 C 21.547 0.3 1
392 75 75 VAL CG2 C 21.035 0.3 1
393 75 75 VAL N N 117.355 0.3 1
394 76 76 GLU H H 9.183 0.03 1
395 76 76 GLU C C 174.868 0.3 1
396 76 76 GLU CA C 54.572 0.3 1
397 76 76 GLU CB C 33.252 0.3 1
398 76 76 GLU N N 124.869 0.3 1
399 77 77 GLU H H 8.460 0.03 1
400 77 77 GLU C C 177.136 0.3 1
401 77 77 GLU CA C 54.544 0.3 1
402 77 77 GLU CB C 30.957 0.3 1
403 77 77 GLU N N 122.305 0.3 1
404 78 78 LYS H H 8.978 0.03 1
405 78 78 LYS C C 174.989 0.3 1
406 78 78 LYS CA C 54.766 0.3 1
407 78 78 LYS CB C 35.736 0.3 1
408 78 78 LYS N N 121.900 0.3 1
409 79 79 LEU H H 8.599 0.03 1
410 79 79 LEU HD1 H 0.910 0.03 1
411 79 79 LEU HD2 H 0.872 0.03 1
412 79 79 LEU C C 176.805 0.3 1
413 79 79 LEU CA C 56.787 0.3 1
414 79 79 LEU CB C 41.773 0.3 1
415 79 79 LEU CD1 C 23.503 0.3 1
416 79 79 LEU CD2 C 25.142 0.3 1
417 79 79 LEU N N 125.421 0.3 1
418 80 80 ASP H H 9.324 0.03 1
419 80 80 ASP C C 177.625 0.3 1
420 80 80 ASP CA C 52.858 0.3 1
421 80 80 ASP CB C 43.370 0.3 1
422 80 80 ASP N N 126.969 0.3 1
423 81 81 THR H H 8.940 0.03 1
424 81 81 THR C C 175.781 0.3 1
425 81 81 THR CA C 60.869 0.3 1
426 81 81 THR CB C 68.144 0.3 1
427 81 81 THR N N 118.776 0.3 1
428 82 82 SER H H 8.414 0.03 1
429 82 82 SER C C 176.053 0.3 1
430 82 82 SER CA C 59.661 0.3 1
431 82 82 SER CB C 64.081 0.3 1
432 82 82 SER N N 118.468 0.3 1
433 83 83 HIS H H 8.962 0.03 1
434 83 83 HIS C C 175.357 0.3 1
435 83 83 HIS CA C 57.056 0.3 1
436 83 83 HIS CB C 26.710 0.3 1
437 83 83 HIS N N 113.558 0.3 1
438 84 84 GLY H H 8.658 0.03 1
439 84 84 GLY C C 174.579 0.3 1
440 84 84 GLY CA C 46.358 0.3 1
441 84 84 GLY N N 105.121 0.3 1
442 85 85 MET H H 7.344 0.03 1
443 85 85 MET C C 174.137 0.3 1
444 85 85 MET CA C 54.285 0.3 1
445 85 85 MET CB C 36.471 0.3 1
446 85 85 MET N N 118.276 0.3 1
447 86 86 ILE H H 8.116 0.03 1
448 86 86 ILE HD1 H 0.824 0.03 1
449 86 86 ILE C C 176.324 0.3 1
450 86 86 ILE CA C 61.401 0.3 1
451 86 86 ILE CB C 37.623 0.3 1
452 86 86 ILE CD1 C 12.514 0.3 1
453 86 86 ILE N N 119.074 0.3 1
454 87 87 ARG H H 8.769 0.03 1
455 87 87 ARG C C 175.026 0.3 1
456 87 87 ARG CA C 54.167 0.3 1
457 87 87 ARG CB C 36.773 0.3 1
458 87 87 ARG N N 125.482 0.3 1
459 88 88 THR H H 9.454 0.03 1
460 88 88 THR C C 174.505 0.3 1
461 88 88 THR CA C 62.343 0.3 1
462 88 88 THR CB C 68.795 0.3 1
463 88 88 THR N N 119.400 0.3 1
464 89 89 GLU H H 9.403 0.03 1
465 89 89 GLU C C 175.232 0.3 1
466 89 89 GLU CA C 54.995 0.3 1
467 89 89 GLU CB C 30.782 0.3 1
468 89 89 GLU N N 129.345 0.3 1
469 90 90 VAL H H 8.092 0.03 1
470 90 90 VAL HG1 H 0.896 0.03 1
471 90 90 VAL HG2 H 0.684 0.03 1
472 90 90 VAL C C 175.262 0.3 1
473 90 90 VAL CA C 59.754 0.3 1
474 90 90 VAL CB C 33.535 0.3 1
475 90 90 VAL CG1 C 22.902 0.3 1
476 90 90 VAL CG2 C 20.838 0.3 1
477 90 90 VAL N N 120.774 0.3 1
478 91 91 ARG H H 8.992 0.03 1
479 91 91 ARG C C 175.940 0.3 1
480 91 91 ARG CA C 54.373 0.3 1
481 91 91 ARG CB C 34.432 0.3 1
482 91 91 ARG N N 124.252 0.3 1
483 92 92 SER H H 9.084 0.03 1
484 92 92 SER C C 176.108 0.3 1
485 92 92 SER CA C 55.537 0.3 1
486 92 92 SER CB C 66.148 0.3 1
487 92 92 SER N N 114.907 0.3 1
488 93 93 ARG H H 8.710 0.03 1
489 93 93 ARG C C 178.901 0.3 1
490 93 93 ARG CA C 59.584 0.3 1
491 93 93 ARG CB C 30.582 0.3 1
492 93 93 ARG N N 123.415 0.3 1
493 94 94 THR H H 9.276 0.03 1
494 94 94 THR C C 176.597 0.3 1
495 94 94 THR CA C 67.493 0.3 1
496 94 94 THR CB C 67.498 0.3 1
497 94 94 THR N N 116.046 0.3 1
498 95 95 ALA H H 7.883 0.03 1
499 95 95 ALA C C 177.644 0.3 1
500 95 95 ALA CA C 52.223 0.3 1
501 95 95 ALA CB C 19.119 0.3 1
502 95 95 ALA N N 118.652 0.3 1
503 96 96 ASP H H 7.364 0.03 1
504 96 96 ASP C C 177.012 0.3 1
505 96 96 ASP CA C 55.088 0.3 1
506 96 96 ASP CB C 39.355 0.3 1
507 96 96 ASP N N 119.283 0.3 1
508 97 97 SER H H 7.910 0.03 1
509 97 97 SER C C 176.732 0.3 1
510 97 97 SER CA C 57.243 0.3 1
511 97 97 SER CB C 63.888 0.3 1
512 97 97 SER N N 112.775 0.3 1
513 98 98 HIS H H 8.982 0.03 1
514 98 98 HIS C C 173.318 0.3 1
515 98 98 HIS CA C 58.796 0.3 1
516 98 98 HIS CB C 27.059 0.3 1
517 98 98 HIS N N 123.147 0.3 1
518 99 99 LEU H H 7.725 0.03 1
519 99 99 LEU HD1 H 0.723 0.03 1
520 99 99 LEU HD2 H 0.689 0.03 1
521 99 99 LEU C C 178.432 0.3 1
522 99 99 LEU CA C 54.372 0.3 1
523 99 99 LEU CB C 42.863 0.3 1
524 99 99 LEU CD1 C 27.274 0.3 1
525 99 99 LEU CD2 C 23.617 0.3 1
526 99 99 LEU N N 119.488 0.3 1
527 100 100 GLY H H 6.644 0.03 1
528 100 100 GLY C C 171.782 0.3 1
529 100 100 GLY CA C 45.881 0.3 1
530 100 100 GLY N N 103.743 0.3 1
531 101 101 HIS H H 8.540 0.03 1
532 101 101 HIS C C 172.674 0.3 1
533 101 101 HIS CA C 57.162 0.3 1
534 101 101 HIS CB C 36.401 0.3 1
535 101 101 HIS N N 121.562 0.3 1
536 102 102 VAL H H 8.232 0.03 1
537 102 102 VAL HG1 H 0.464 0.03 1
538 102 102 VAL HG2 H 0.068 0.03 1
539 102 102 VAL C C 174.049 0.3 1
540 102 102 VAL CA C 58.591 0.3 1
541 102 102 VAL CB C 34.440 0.3 1
542 102 102 VAL CG1 C 19.089 0.3 1
543 102 102 VAL CG2 C 21.461 0.3 1
544 102 102 VAL N N 118.042 0.3 1
545 103 103 PHE H H 9.039 0.03 1
546 103 103 PHE C C 175.858 0.3 1
547 103 103 PHE CA C 56.542 0.3 1
548 103 103 PHE CB C 43.079 0.3 1
549 103 103 PHE N N 127.305 0.3 1
550 104 104 ASN H H 8.860 0.03 1
551 104 104 ASN HD21 H 7.562 0.03 1
552 104 104 ASN HD22 H 6.892 0.03 1
553 104 104 ASN C C 175.567 0.3 1
554 104 104 ASN CA C 53.002 0.3 1
555 104 104 ASN CB C 37.868 0.3 1
556 104 104 ASN N N 120.389 0.3 1
557 104 104 ASN ND2 N 111.892 0.3 1
558 105 105 ASP H H 7.752 0.03 1
559 105 105 ASP C C 178.367 0.3 1
560 105 105 ASP CA C 52.796 0.3 1
561 105 105 ASP CB C 40.242 0.3 1
562 105 105 ASP N N 119.216 0.3 1
563 106 106 GLY H H 8.085 0.03 1
564 106 106 GLY C C 172.808 0.3 1
565 106 106 GLY CA C 44.252 0.3 1
566 106 106 GLY N N 106.608 0.3 1
567 107 107 PRO C C 178.142 0.3 1
568 107 107 PRO CA C 63.574 0.3 1
569 107 107 PRO CB C 31.937 0.3 1
570 108 108 GLY H H 8.529 0.03 1
571 108 108 GLY C C 173.822 0.3 1
572 108 108 GLY CA C 44.660 0.3 1
573 108 108 GLY N N 109.440 0.3 1
574 109 109 PRO C C 178.404 0.3 1
575 109 109 PRO CA C 65.031 0.3 1
576 109 109 PRO CB C 31.076 0.3 1
577 110 110 ASN H H 8.376 0.03 1
578 110 110 ASN HD21 H 7.989 0.03 1
579 110 110 ASN HD22 H 7.650 0.03 1
580 110 110 ASN C C 177.091 0.3 1
581 110 110 ASN CA C 53.382 0.3 1
582 110 110 ASN CB C 37.583 0.3 1
583 110 110 ASN N N 114.029 0.3 1
584 110 110 ASN ND2 N 113.554 0.3 1
585 111 111 GLY H H 7.846 0.03 1
586 111 111 GLY C C 174.828 0.3 1
587 111 111 GLY CA C 46.308 0.3 1
588 111 111 GLY N N 107.817 0.3 1
589 112 112 LEU H H 7.467 0.03 1
590 112 112 LEU HD1 H 1.042 0.03 1
591 112 112 LEU HD2 H 0.704 0.03 1
592 112 112 LEU C C 177.321 0.3 1
593 112 112 LEU CA C 54.906 0.3 1
594 112 112 LEU CB C 43.302 0.3 1
595 112 112 LEU CD1 C 25.895 0.3 1
596 112 112 LEU CD2 C 22.375 0.3 1
597 112 112 LEU N N 119.202 0.3 1
598 113 113 ARG H H 8.822 0.03 1
599 113 113 ARG C C 174.933 0.3 1
600 113 113 ARG CA C 55.520 0.3 1
601 113 113 ARG CB C 33.980 0.3 1
602 113 113 ARG N N 120.234 0.3 1
603 114 114 TYR H H 10.082 0.03 1
604 114 114 TYR C C 174.411 0.3 1
605 114 114 TYR CA C 58.947 0.3 1
606 114 114 TYR CB C 37.512 0.3 1
607 114 114 TYR N N 128.259 0.3 1
608 115 115 CYS H H 9.387 0.03 1
609 115 115 CYS C C 172.672 0.3 1
610 115 115 CYS CA C 58.726 0.3 1
611 115 115 CYS CB C 27.494 0.3 1
612 115 115 CYS N N 129.674 0.3 1
613 116 116 ILE H H 8.581 0.03 1
614 116 116 ILE HD1 H 0.422 0.03 1
615 116 116 ILE C C 173.526 0.3 1
616 116 116 ILE CA C 56.588 0.3 1
617 116 116 ILE CB C 38.191 0.3 1
618 116 116 ILE CD1 C 9.438 0.3 1
619 116 116 ILE N N 129.865 0.3 1
620 117 117 ASN H H 7.577 0.03 1
621 117 117 ASN HD21 H 7.808 0.03 1
622 117 117 ASN HD22 H 6.676 0.03 1
623 117 117 ASN C C 176.940 0.3 1
624 117 117 ASN CA C 53.848 0.3 1
625 117 117 ASN CB C 42.625 0.3 1
626 117 117 ASN N N 119.365 0.3 1
627 117 117 ASN ND2 N 115.667 0.3 1
628 118 118 SER H H 13.130 0.03 1
629 118 118 SER HG H 6.023 0.03 1
630 118 118 SER C C 178.450 0.3 1
631 118 118 SER CA C 64.023 0.3 1
632 118 118 SER CB C 63.218 0.3 1
633 118 118 SER N N 128.600 0.3 1
634 119 119 ALA H H 10.078 0.03 1
635 119 119 ALA C C 176.110 0.3 1
636 119 119 ALA CA C 52.942 0.3 1
637 119 119 ALA CB C 19.016 0.3 1
638 119 119 ALA N N 121.228 0.3 1
639 120 120 ALA H H 7.355 0.03 1
640 120 120 ALA C C 177.522 0.3 1
641 120 120 ALA CA C 51.672 0.3 1
642 120 120 ALA CB C 20.039 0.3 1
643 120 120 ALA N N 113.071 0.3 1
644 121 121 LEU H H 8.288 0.03 1
645 121 121 LEU HD1 H 0.626 0.03 1
646 121 121 LEU HD2 H 0.707 0.03 1
647 121 121 LEU C C 175.992 0.3 1
648 121 121 LEU CA C 53.258 0.3 1
649 121 121 LEU CB C 47.105 0.3 1
650 121 121 LEU CD1 C 24.199 0.3 1
651 121 121 LEU CD2 C 22.760 0.3 1
652 121 121 LEU N N 117.341 0.3 1
653 122 122 ARG H H 8.921 0.03 1
654 122 122 ARG C C 175.500 0.3 1
655 122 122 ARG CA C 55.367 0.3 1
656 122 122 ARG CB C 33.419 0.3 1
657 122 122 ARG N N 118.495 0.3 1
658 123 123 PHE H H 7.902 0.03 1
659 123 123 PHE C C 174.552 0.3 1
660 123 123 PHE CA C 56.832 0.3 1
661 123 123 PHE CB C 39.456 0.3 1
662 123 123 PHE N N 125.341 0.3 1
663 124 124 VAL H H 8.509 0.03 1
664 124 124 VAL HG1 H 0.561 0.03 1
665 124 124 VAL HG2 H 0.518 0.03 1
666 124 124 VAL C C 172.344 0.3 1
667 124 124 VAL CA C 58.367 0.3 1
668 124 124 VAL CB C 33.304 0.3 1
669 124 124 VAL CG1 C 20.915 0.3 1
670 124 124 VAL CG2 C 20.079 0.3 1
671 124 124 VAL N N 130.815 0.3 1
672 125 125 PRO C C 178.254 0.3 1
673 125 125 PRO CA C 61.983 0.3 1
674 125 125 PRO CB C 32.481 0.3 1
675 126 126 LYS H H 7.994 0.03 1
676 126 126 LYS C C 178.153 0.3 1
677 126 126 LYS CA C 59.329 0.3 1
678 126 126 LYS CB C 31.873 0.3 1
679 126 126 LYS N N 120.479 0.3 1
680 127 127 HIS H H 8.279 0.03 1
681 127 127 HIS C C 176.059 0.3 1
682 127 127 HIS CA C 58.458 0.3 1
683 127 127 HIS CB C 29.055 0.3 1
684 127 127 HIS N N 112.935 0.3 1
685 128 128 LYS H H 7.531 0.03 1
686 128 128 LYS C C 176.618 0.3 1
687 128 128 LYS CA C 54.802 0.3 1
688 128 128 LYS CB C 33.001 0.3 1
689 128 128 LYS N N 118.910 0.3 1
690 129 129 LEU H H 7.172 0.03 1
691 129 129 LEU HD1 H 0.676 0.03 1
692 129 129 LEU HD2 H 0.431 0.03 1
693 129 129 LEU C C 179.543 0.3 1
694 129 129 LEU CA C 59.107 0.3 1
695 129 129 LEU CB C 39.846 0.3 1
696 129 129 LEU CD1 C 26.421 0.3 1
697 129 129 LEU CD2 C 22.392 0.3 1
698 129 129 LEU N N 118.095 0.3 1
699 130 130 LYS H H 8.894 0.03 1
700 130 130 LYS C C 180.595 0.3 1
701 130 130 LYS CA C 60.457 0.3 1
702 130 130 LYS CB C 31.196 0.3 1
703 130 130 LYS N N 118.234 0.3 1
704 131 131 GLU H H 8.689 0.03 1
705 131 131 GLU C C 178.231 0.3 1
706 131 131 GLU CA C 58.979 0.3 1
707 131 131 GLU CB C 29.163 0.3 1
708 131 131 GLU N N 121.001 0.3 1
709 132 132 GLU H H 7.645 0.03 1
710 132 132 GLU C C 175.744 0.3 1
711 132 132 GLU CA C 57.237 0.3 1
712 132 132 GLU CB C 29.566 0.3 1
713 132 132 GLU N N 115.139 0.3 1
714 133 133 GLY H H 7.420 0.03 1
715 133 133 GLY C C 176.342 0.3 1
716 133 133 GLY CA C 46.039 0.3 1
717 133 133 GLY N N 104.601 0.3 1
718 134 134 TYR H H 8.615 0.03 1
719 134 134 TYR C C 177.568 0.3 1
720 134 134 TYR CA C 56.352 0.3 1
721 134 134 TYR CB C 38.812 0.3 1
722 134 134 TYR N N 118.915 0.3 1
723 135 135 GLU H H 9.075 0.03 1
724 135 135 GLU C C 178.921 0.3 1
725 135 135 GLU CA C 60.265 0.3 1
726 135 135 GLU CB C 28.834 0.3 1
727 135 135 GLU N N 122.315 0.3 1
728 136 136 SER H H 8.939 0.03 1
729 136 136 SER C C 174.749 0.3 1
730 136 136 SER CA C 60.879 0.3 1
731 136 136 SER CB C 62.352 0.3 1
732 136 136 SER N N 114.413 0.3 1
733 137 137 TYR H H 8.124 0.03 1
734 137 137 TYR C C 177.007 0.3 1
735 137 137 TYR CA C 59.407 0.3 1
736 137 137 TYR CB C 38.880 0.3 1
737 137 137 TYR N N 117.221 0.3 1
738 138 138 LEU H H 7.787 0.03 1
739 138 138 LEU HD1 H 1.082 0.03 1
740 138 138 LEU HD2 H 1.000 0.03 1
741 138 138 LEU C C 180.047 0.3 1
742 138 138 LEU CA C 58.700 0.3 1
743 138 138 LEU CB C 41.367 0.3 1
744 138 138 LEU CD1 C 25.110 0.3 1
745 138 138 LEU CD2 C 24.503 0.3 1
746 138 138 LEU N N 120.874 0.3 1
747 139 139 HIS C C 176.927 0.3 1
748 139 139 HIS CA C 58.189 0.3 1
749 139 139 HIS CB C 29.082 0.3 1
750 140 140 LEU H H 6.910 0.03 1
751 140 140 LEU HD1 H 0.859 0.03 1
752 140 140 LEU HD2 H 0.676 0.03 1
753 140 140 LEU C C 177.733 0.3 1
754 140 140 LEU CA C 56.221 0.3 1
755 140 140 LEU CB C 40.755 0.3 1
756 140 140 LEU CD1 C 25.825 0.3 1
757 140 140 LEU CD2 C 22.347 0.3 1
758 140 140 LEU N N 119.022 0.3 1
759 141 141 PHE H H 7.614 0.03 1
760 141 141 PHE C C 175.601 0.3 1
761 141 141 PHE CA C 57.822 0.3 1
762 141 141 PHE CB C 39.219 0.3 1
763 141 141 PHE N N 114.054 0.3 1
764 142 142 ASN H H 7.617 0.03 1
765 142 142 ASN HD21 H 7.717 0.03 1
766 142 142 ASN HD22 H 7.018 0.03 1
767 142 142 ASN C C 175.658 0.3 1
768 142 142 ASN CA C 53.231 0.3 1
769 142 142 ASN CB C 39.108 0.3 1
770 142 142 ASN N N 118.916 0.3 1
771 142 142 ASN ND2 N 112.131 0.3 1
772 143 143 LYS H H 8.441 0.03 1
773 143 143 LYS C C 176.903 0.3 1
774 143 143 LYS CA C 56.552 0.3 1
775 143 143 LYS CB C 32.554 0.3 1
776 143 143 LYS N N 122.183 0.3 1
777 144 144 LEU H H 8.361 0.03 1
778 144 144 LEU HD1 H 0.904 0.03 1
779 144 144 LEU HD2 H 0.842 0.03 1
780 144 144 LEU C C 177.688 0.3 1
781 144 144 LEU CA C 55.187 0.3 1
782 144 144 LEU CB C 41.718 0.3 1
783 144 144 LEU CD1 C 24.758 0.3 1
784 144 144 LEU CD2 C 23.435 0.3 1
785 144 144 LEU N N 123.740 0.3 1
786 145 145 GLU H H 8.399 0.03 1
787 145 145 GLU C C 176.575 0.3 1
788 145 145 GLU CA C 56.365 0.3 1
789 145 145 GLU CB C 30.070 0.3 1
790 145 145 GLU N N 121.927 0.3 1
stop_
save_
save_C13_noesy
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D 1H-13C NOESY'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 H 'all H'
2 C methyl
3 H methyl
stop_
_Sample_label $SR10.026
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
Assignment w1 w2 w3 Data Height Note
?-?-? 8.986 22.950 0.892 655910 K78H-V90CG1-V90HG1/R91H-V90CG1-V90HG1(QU=0.592)
?-?-? 8.448 22.849 0.872 164276 I45H-V46CG2-V46HG2/E77H-V90CG1-V90HG1(QU=0.232)
?-?-? 8.340 22.812 0.871 252856
?-?-? 7.582 22.783 0.884 114839
?-?-? 6.653 22.830 0.889 260179
?-?-? 5.257 22.815 0.866 173798
?-?-? 8.990 21.010 0.526 127740
?-?-? 0.892 21.055 0.524 728082
?-?-? 0.616 21.014 0.525 2936928 L51HD2-V75CG2-V75HG2/V75HG1-V75CG2-V75HG2(QU=0.997)
?-?-? 0.453 20.854 0.683 1654225 V102HG1-V90CG2-V90HG2/I116HD1-V90CG2-V90HG2(QU=0.697)
?-?-? 8.926 20.104 0.518 155301 Y42H-V124CG2-V124HG2/R122H-V124CG2-V124HG2(QU=0.993)
?-?-? 8.629 20.643 0.950 355162 V19H-V19CG1-V19HG1/G24H-V19CG1-V19HG1(QU=0.722)
?-?-? 0.682 20.718 0.951 116366
?-?-? 7.211 21.434 0.914 262793 N13HD22-V46CG1-V46HG1/S47H-V46CG1-V46HG1(QU=0.645)
?-?-? 1.114 21.318 0.914 126604
?-?-? 9.442 19.055 0.465 121547 T88H-V102CG1-V102HG1/E89H-V102CG1-V102HG1(QU=0.562)
?-?-? 0.345 19.088 0.463 140545
?-?-? 1.019 13.749 0.818 103108
?-?-? 8.852 21.607 0.743 305599 N13H-L12CD2-L12HD2/V46H-L12CD2-L12HD2(QU=0.910)
?-?-? 7.593 21.657 0.741 124465 K10H-L12CD2-L12HD2/S11H-L12CD2-L12HD2(QU=0.600)
?-?-? 1.004 24.289 0.509 128694
?-?-? 0.860 24.168 0.511 856118
?-?-? 9.187 23.795 0.626 124260
?-?-? 7.740 23.749 0.626 206060 F52H-L51CD2-L51HD2/V75H-L51CD2-L51HD2(QU=0.822)
?-?-? 8.832 22.266 0.702 183661 N104H-L112CD2-L112HD2/R113H-L112CD2-L112HD2(QU=0.941)
?-?-? 0.703 22.534 0.700 18383068 L112HD2-L112CD2-L112HD2/L121HD2-L121CD2-L121HD2/L140HD2-L140CD2-L140HD2(QU=0.397)
?-?-? 0.679 22.373 0.683 18696942 L112HD2-L112CD2-L112HD2/L140HD2-L140CD2-L140HD2(QU=0.987)
?-?-? 0.468 22.397 0.705 717392
?-?-? 0.217 22.352 0.674 94546
?-?-? 8.545 9.346 0.422 249649 H101H-I116CD1-I116HD1/I116H-I116CD1-I116HD1(QU=0.543)
?-?-? 1.003 22.424 0.431 405620
?-?-? 0.873 22.440 0.432 118799
?-?-? 0.689 25.452 1.079 895632
?-?-? 8.848 26.126 0.824 100300 N13H-L12CD1-L12HD1/Q16H-L12CD1-L12HD1/V46H-L12CD1-L12HD1(QU=0.851)
?-?-? 8.631 26.133 0.826 123709
?-?-? 8.340 26.091 0.819 107242 N13HD21-L12CD1-L12HD1/R14H-L12CD1-L12HD1/M15H-L12CD1-L12HD1(QU=0.736)
?-?-? 7.718 26.041 0.828 110808
?-?-? 1.006 24.904 0.220 164201
?-?-? 7.728 27.308 0.782 95101 F52H-L51CD1-L51HD1/L99H-L51CD1-L51HD1(QU=0.554)
?-?-? 0.675 27.265 0.782 2657588 L99HD2-L51CD1-L51HD1/L121HD2-L51CD1-L51HD1(QU=0.261)
?-?-? 7.735 27.330 0.721 133732 V75H-L99CD1-L99HD1/L99H-L99CD1-L99HD1(QU=0.977)
?-?-? 8.066 22.759 0.708 104300
?-?-? 8.004 26.488 0.675 216907 L41H-L129CD1-L129HD1/K126H-L129CD1-L129HD1(QU=0.972)
?-?-? 0.876 26.539 0.679 225751
?-?-? 7.618 24.434 1.005 90123
?-?-? 0.676 24.539 0.999 1944934
?-?-? 0.546 24.555 0.999 171104
?-?-? 0.434 24.543 0.999 478123
?-?-? 0.223 24.526 0.998 130591
?-?-? 1.630 24.757 0.911 141062
?-?-? 1.321 24.834 0.906 165890
?-?-? 1.142 20.799 1.141 1057026
?-?-? 0.868 20.714 1.142 145261
?-?-? 8.642 21.406 0.923 123199
?-?-? 0.698 21.125 0.524 1286253 L99HD1-V75CG2-V75HG2/L99HD2-V75CG2-V75HG2(QU=0.927)
?-?-? 0.709 21.125 0.622 1582894
?-?-? 8.968 19.089 0.466 217678
?-?-? 1.077 25.825 0.859 181121
?-?-? 0.876 22.683 0.886 16681174 V19HG2-V19CG2-V19HG2/V46HG2-V46CG2-V46HG2/V90HG1-V90CG1-V90HG1(QU=0.618)
?-?-? 0.948 22.683 0.888 8748704 V19HG1-V19CG2-V19HG2/V46HG1-V46CG2-V46HG2(QU=0.476)
?-?-? 0.882 22.872 0.873 13141351 V19HG2-V19CG2-V19HG2/V46HG2-V46CG2-V46HG2/V90HG1-V90CG1-V90HG1(QU=0.696)
?-?-? 0.875 23.652 0.625 620829
?-?-? 1.012 23.652 0.629 98650
?-?-? 0.906 22.902 0.894 16092421 V19HG2-V19CG2-V19HG2/V46HG2-V46CG2-V46HG2/V90HG1-V90CG1-V90HG1(QU=0.987)
?-?-? 0.870 23.617 0.694 615823
?-?-? 9.183 20.915 0.560 111805
?-?-? 8.988 23.503 0.908 225987
I9H-CD1-HD1 8.645 13.798 0.821 125291
I9HD1-CD1-HD1 0.821 13.785 0.819 8880760
L12H-CD1-HD1 7.256 26.137 0.823 98619
L12H-CD2-HD2 7.282 21.613 0.744 251267
L12HD1-CD1-HD1 0.814 26.010 0.824 3212213
L12HD2-CD1-HD1 0.752 26.010 0.824 1508773
L12HD2-CD2-HD2 0.744 21.618 0.742 8613435
L12HD2-I45CD1-HD1 0.741 14.859 0.923 687418
N13HD21-I9CD1-HD1 8.342 13.788 0.820 160897
N13HD21-V46CG1-HG1 8.341 21.423 0.914 121837
N13HD22-I9CD1-HD1 7.206 13.757 0.818 178957
N13HD22-L12CD1-HD1 7.204 26.081 0.822 151998
N13HD22-L12CD2-HD2 7.211 21.585 0.743 120951
Q16HE21-I45CD1-HD1 6.787 14.846 0.924 611182
Q16HE22-I45CD1-HD1 7.860 14.859 0.924 595664
V19H-CG2-HG2 8.633 22.657 0.884 948973
V19HG1-CG1-HG1 0.936 20.733 0.949 8621797
T20H-V19CG1-HG1 7.722 20.624 0.951 195044
T20H-V19CG2-HG2 7.728 22.763 0.885 422271
T25H-V19CG2-HG2 7.801 22.560 0.886 294645
E26H-V19CG1-HG1 8.762 20.616 0.949 146111
E26H-V19CG2-HG2 8.772 22.694 0.883 488289
L41H-CD1-HD1 8.012 24.945 0.219 237213
L41H-CD2-HD2 8.016 24.191 0.511 235817
L41H-V124CG1-HG1 8.004 20.934 0.563 196027
L41H-V124CG2-HG2 8.009 20.071 0.519 229982
L41H-L129CD2-HD2 8.006 22.410 0.432 481634
L41HD1-CD1-HD1 0.220 24.941 0.220 8535243
L41HD1-CD2-HD2 0.221 24.210 0.510 3413908
L41HD1-V43CG1-HG1 0.215 19.850 0.077 581947
L41HD1-V43CG2-HG2 0.217 18.159 0.689 169653
L41HD1-I71CD1-HD1 0.220 13.144 0.395 555877
L41HD1-V124CG1-HG1 0.222 20.919 0.563 277533
L41HD1-V124CG2-HG2 0.219 20.095 0.518 238970
L41HD1-L129CD1-HD1 0.221 26.508 0.676 623444
L41HD1-L129CD2-HD2 0.222 22.416 0.431 1251712
L41HD1-L140CD1-HD1 0.221 25.943 0.857 168109
L41HD2-CD1-HD1 0.509 24.936 0.220 3363112
L41HD2-CD2-HD2 0.511 24.208 0.510 11989622
L41HD2-I71CD1-HD1 0.514 13.150 0.394 1077872
L41HD2-L140CD1-HD1 0.512 25.977 0.859 360046
Y42H-L41CD1-HD1 8.962 24.934 0.220 184952
Y42H-L41CD2-HD2 8.967 24.203 0.511 272986
Y42H-V43CG1-HG1 8.930 19.846 0.077 377593
Y42H-I71CD1-HD1 8.963 13.152 0.393 120319
V43H-CG1-HG1 9.185 19.850 0.077 646836
V43H-CG2-HG2 9.185 18.162 0.691 649308
V43H-L121CD2-HD2 9.186 22.859 0.708 145980
V43H-V124CG2-HG2 9.185 20.332 0.520 260148
V43HG1-L41CD1-HD1 0.091 24.963 0.221 547609
V43HG1-L41CD2-HD2 0.083 24.215 0.510 485596
V43HG1-CG1-HG1 0.077 19.846 0.077 4525888
V43HG1-CG2-HG2 0.077 18.165 0.691 1440154
V43HG1-I71CD1-HD1 0.085 13.163 0.395 101632
V43HG1-V124CG1-HG1 0.076 20.839 0.562 297552
V43HG1-V124CG2-HG2 0.076 20.058 0.519 1087579
V43HG1-L129CD2-HD2 0.081 22.417 0.433 194496
V43HG2-CG1-HG1 0.690 19.849 0.077 1930182
V43HG2-CG2-HG2 0.691 18.160 0.690 2873505
V43HG2-V124CG2-HG2 0.691 20.079 0.518 1134741
D44H-V43CG2-HG2 8.560 18.153 0.690 249999
D44H-L51CD1-HD1 8.579 27.250 0.782 191323
D44H-L51CD2-HD2 8.580 23.735 0.626 197876
D44H-L121CD2-HD2 8.574 22.892 0.707 128235
I45H-L121CD2-HD2 8.453 22.899 0.708 92596
I45HD1-V43CG2-HG2 0.904 18.139 0.690 98986
I45HD1-CD1-HD1 0.925 14.855 0.924 11446181
V46H-I45CD1-HD1 8.871 14.854 0.924 126715
V46H-CG1-HG1 8.836 21.401 0.916 166480
V46H-CG2-HG2 8.823 22.802 0.873 426651
V46HG1-I9CD1-HD1 0.925 13.937 0.818 567064
V46HG1-L12CD2-HD2 0.898 21.585 0.742 1848702
V46HG1-CG1-HG1 0.924 21.406 0.917 11634101
V46HG2-L51CD1-HD1 0.893 27.216 0.779 277276
S47H-V46CG2-HG2 7.206 22.812 0.869 399447
G48H-V46CG1-HG1 8.572 21.475 0.916 110444
L51H-V43CG1-HG1 8.034 19.854 0.077 199900
L51H-CD2-HD2 8.050 23.748 0.627 130300
L51H-I71CD1-HD1 8.049 13.160 0.395 252570
L51HD1-CD1-HD1 0.777 27.216 0.783 2242440
L51HD1-L121CD2-HD2 0.791 22.687 0.700 2497588
L51HD2-CD2-HD2 0.627 23.652 0.626 11018485
F52H-L41CD2-HD2 7.735 24.232 0.512 108320
F52H-V43CG1-HG1 7.727 19.856 0.076 101115
F52H-I71CD1-HD1 7.731 13.159 0.394 262458
I71H-CD1-HD1 7.457 13.155 0.394 166983
I71H-V75CG2-HG2 7.467 21.001 0.526 181338
I71HD1-L41CD2-HD2 0.412 24.213 0.510 1433881
I71HD1-L51CD2-HD2 0.431 23.652 0.625 216954
I71HD1-CD1-HD1 0.396 13.152 0.395 9932187
I71HD1-L140CD1-HD1 0.398 25.896 0.858 370626
E74H-L51CD2-HD2 7.575 23.889 0.627 93061
E74H-V75CG1-HG1 7.568 21.550 0.619 129773
E74H-V75CG2-HG2 7.566 21.056 0.523 262428
V75H-CG1-HG1 7.749 21.518 0.621 242734
V75H-CG2-HG2 7.751 21.043 0.524 486961
V75HG1-CG1-HG1 0.625 21.554 0.621 4990794
V75HG2-L51CD1-HD1 0.529 27.216 0.783 372069
V75HG2-L51CD2-HD2 0.531 23.652 0.626 1409952
V75HG2-CG1-HG1 0.534 21.524 0.620 1855475
V75HG2-CG2-HG2 0.527 20.823 0.527 6190614
V75HG2-L99CD1-HD1 0.529 27.301 0.721 644901
V75HG2-L99CD2-HD2 0.531 23.617 0.691 352501
E76H-V75CG1-HG1 9.185 21.558 0.621 474470
E76H-V75CG2-HG2 9.183 21.035 0.525 248549
E76H-V90CG1-HG1 9.183 22.932 0.890 338644
E76H-V90CG2-HG2 9.186 20.940 0.680 166728
E76H-L99CD1-HD1 9.181 27.296 0.718 109985
L79H-CD1-HD1 8.605 23.503 0.912 272933
L79H-CD2-HD2 8.597 25.239 0.871 139549
L79HD1-CD1-HD1 0.898 23.268 0.901 25923280
L79HD2-CD2-HD2 0.875 25.142 0.872 31553404
D80H-L79CD1-HD1 9.326 23.522 0.908 924181
D80H-L79CD2-HD2 9.327 25.159 0.869 173917
I86H-CD1-HD1 8.118 12.466 0.824 166104
I86HD1-CD1-HD1 0.825 12.447 0.823 24281412
R87H-L79CD1-HD1 8.775 23.503 0.908 330176
V90H-CG1-HG1 8.095 22.963 0.890 425953
V90H-CG2-HG2 8.094 20.851 0.683 1025836
V90H-V102CG1-HG1 8.096 19.130 0.465 116947
V90H-I116CD1-HD1 8.095 9.336 0.423 110712
V90HG1-V75CG1-HG1 0.892 21.551 0.622 1347574
V90HG1-CG2-HG2 0.893 20.860 0.683 2483161
V90HG1-L99CD1-HD1 0.890 27.310 0.721 733842
V90HG1-V102CG1-HG1 0.892 19.082 0.466 705642
V90HG1-V102CG2-HG2 0.894 21.455 0.062 328948
V90HG1-I116CD1-HD1 0.893 9.325 0.422 681955
V90HG2-CG1-HG1 0.687 22.927 0.890 3441348
V90HG2-CG2-HG2 0.683 20.828 0.683 9319060
V90HG2-V102CG1-HG1 0.694 19.093 0.466 1481208
V90HG2-I116CD1-HD1 0.689 9.325 0.422 1330396
R91H-V75CG1-HG1 8.993 21.553 0.621 285685
R91H-V90CG2-HG2 8.993 20.857 0.683 357949
R91H-L99CD1-HD1 8.993 27.322 0.725 120393
S92H-L99CD1-HD1 9.085 27.331 0.722 138922
S92H-L99CD2-HD2 9.088 23.616 0.689 157054
L99H-V90CG2-HG2 7.729 20.858 0.682 278378
L99H-CD2-HD2 7.732 23.487 0.693 152616
L99HD1-CD1-HD1 0.711 27.294 0.721 3798802
L99HD2-L51CD2-HD2 0.728 23.652 0.628 4034442
L99HD2-CD2-HD2 0.702 23.617 0.689 6240756
G100H-V90CG2-HG2 6.645 20.836 0.683 373516
G100H-I116CD1-HD1 6.651 9.361 0.420 119322
H101H-V90CG2-HG2 8.541 20.879 0.682 269004
V102H-V90CG1-HG1 8.244 22.898 0.889 248619
V102H-V90CG2-HG2 8.235 20.858 0.682 536174
V102H-CG1-HG1 8.235 19.070 0.466 1269899
V102H-CG2-HG2 8.235 21.477 0.062 325327
V102HG1-V90CG1-HG1 0.475 22.930 0.892 1208838
V102HG1-CG1-HG1 0.466 19.080 0.466 6977648
V102HG1-CG2-HG2 0.466 21.474 0.062 1666226
V102HG1-L112CD1-HD1 0.465 25.933 1.048 215469
V102HG2-V75CG1-HG1 0.058 21.587 0.621 94712
V102HG2-V90CG1-HG1 0.061 22.932 0.891 437234
V102HG2-V90CG2-HG2 0.057 20.856 0.682 571331
V102HG2-CG1-HG1 0.058 19.083 0.466 2010373
V102HG2-CG2-HG2 0.063 21.480 0.062 4233470
V102HG2-L112CD1-HD1 0.063 25.969 1.049 321974
V102HG2-L112CD2-HD2 0.060 22.348 0.705 1059673
F103H-V102CG1-HG1 9.021 19.088 0.465 280718
F103H-V102CG2-HG2 9.036 21.497 0.066 526481
N104HD21-L112CD2-HD2 7.560 22.349 0.707 307031
N104HD22-L112CD2-HD2 6.893 22.318 0.708 259887
N110HD21-L112CD1-HD1 7.988 25.995 1.041 116371
N110HD22-L112CD1-HD1 7.644 25.895 1.043 111409
L112HD1-V102CG1-HG1 1.053 19.070 0.466 420322
L112HD1-V102CG2-HG2 1.045 21.474 0.063 579010
L112HD1-CD1-HD1 1.048 25.895 1.047 3827464
L112HD1-CD2-HD2 1.051 22.332 0.705 2653936
L112HD2-V102CG2-HG2 0.699 21.490 0.063 1267990
L112HD2-CD1-HD1 0.710 25.895 1.046 1430629
R113H-V102CG1-HG1 8.828 19.136 0.464 132311
R113H-V102CG2-HG2 8.825 21.472 0.067 327418
C115H-V90CG2-HG2 9.398 20.843 0.681 140400
C115H-I116CD1-HD1 9.390 9.330 0.423 157421
I116HD1-L51CD1-HD1 0.439 27.216 0.782 121907
I116HD1-L99CD2-HD2 0.441 23.617 0.689 143392
I116HD1-CD1-HD1 0.422 9.325 0.422 4423413
N117H-V19CG1-HG1 7.581 20.648 0.950 182594
N117HD21-V19CG1-HG1 7.811 20.631 0.951 196576
N117HD22-V19CG1-HG1 6.669 20.617 0.953 180084
A120H-V19CG1-HG1 7.356 20.635 0.951 105657
A120H-V19CG2-HG2 7.358 22.571 0.885 100544
A120H-L121CD1-HD1 7.357 24.174 0.629 109072
A120H-L121CD2-HD2 7.352 22.867 0.707 104579
L121H-CD1-HD1 8.289 24.154 0.627 124988
L121H-CD2-HD2 8.285 22.724 0.707 148164
L121HD1-CD1-HD1 0.630 24.017 0.627 12055108
R122H-V43CG2-HG2 8.925 18.168 0.691 505247
R122H-L121CD1-HD1 8.944 24.066 0.630 131610
R122H-L121CD2-HD2 8.929 22.732 0.710 338333
V124H-V43CG1-HG1 8.538 19.880 0.077 241255
V124H-CG1-HG1 8.510 20.905 0.561 227607
V124H-CG2-HG2 8.511 20.072 0.518 620245
V124H-L129CD2-HD2 8.508 22.429 0.430 146252
V124HG1-CG1-HG1 0.547 20.915 0.561 6012655
V124HG1-L129CD1-HD1 0.549 26.519 0.676 817251
V124HG1-L129CD2-HD2 0.548 22.415 0.432 2088032
V124HG2-V43CG1-HG1 0.522 19.854 0.077 1776992
V124HG2-V43CG2-HG2 0.526 18.168 0.690 1092095
V124HG2-CG2-HG2 0.531 20.079 0.518 5490415
K128H-L129CD2-HD2 7.534 22.426 0.433 134240
L129H-V124CG1-HG1 7.178 20.917 0.563 136359
L129H-CD1-HD1 7.172 26.539 0.677 131282
L129H-CD2-HD2 7.175 22.414 0.433 211904
L129H-L138CD2-HD2 7.175 24.553 0.999 128024
L129HD1-L41CD1-HD1 0.677 24.933 0.220 1118193
L129HD1-L41CD2-HD2 0.674 24.173 0.510 1099990
L129HD1-CD1-HD1 0.676 26.507 0.676 6118052
L129HD1-CD2-HD2 0.677 22.417 0.432 2312875
L129HD2-V43CG1-HG1 0.409 19.875 0.072 209315
L129HD2-V124CG1-HG1 0.449 21.035 0.562 1586084
L129HD2-CD1-HD1 0.432 26.501 0.676 1770682
L129HD2-CD2-HD2 0.432 22.411 0.431 4962146
L129HD2-L138CD1-HD1 0.440 25.200 1.081 222858
K130H-L129CD1-HD1 8.907 26.530 0.677 94095
K130H-L138CD1-HD1 8.898 25.169 1.083 167794
K130H-L138CD2-HD2 8.900 24.579 1.003 189015
Y137H-L138CD1-HD1 8.130 25.251 1.084 80770
L138H-CD1-HD1 7.785 25.150 1.080 130205
L138H-CD2-HD2 7.786 24.530 0.996 123479
L138HD1-L41CD2-HD2 1.058 24.315 0.510 106353
L138HD1-L129CD1-HD1 1.086 26.587 0.675 541789
L138HD1-L129CD2-HD2 1.079 22.524 0.430 183229
L138HD1-CD1-HD1 1.084 25.167 1.083 19134448
L138HD1-CD2-HD2 1.077 24.503 0.996 5952305
L138HD2-L129CD1-HD1 1.003 26.503 0.676 1271796
L138HD2-CD1-HD1 1.010 25.128 1.079 4701872
L138HD2-CD2-HD2 1.002 24.539 0.999 18550114
L140H-CD1-HD1 6.914 25.862 0.856 108496
L140H-CD2-HD2 6.905 22.375 0.673 231884
L140HD1-L41CD1-HD1 0.866 24.915 0.221 371568
L140HD1-I71CD1-HD1 0.858 13.150 0.394 848131
L140HD1-CD1-HD1 0.876 25.825 0.857 8997664
L140HD1-CD2-HD2 0.860 22.364 0.676 3635503
L140HD2-I71CD1-HD1 0.671 13.165 0.395 449531
L140HD2-CD1-HD1 0.677 25.908 0.858 2126309
L144H-CD1-HD1 8.358 24.714 0.912 110004
L144HD1-CD1-HD1 0.900 24.813 0.900 62119296
L144HD2-CD2-HD2 0.842 23.447 0.840 62478056
;
save_
save_NNH_noesy
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D (N15)HSQC-NOESY-(N15)HSQC'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 H 'all H'
2 N all
3 N all
stop_
_Sample_label $SR10.026
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
Assignment w1 w2 w3 Data Height Note
?-?-? 126.283 126.296 8.498 493387
?-?-? 118.077 118.087 7.927 10813702
?-?-? 112.728 118.148 7.927 590406
?-?-? 119.725 119.758 8.143 11178490
?-?-? 118.802 118.753 7.588 13621998
?-?-? 112.137 112.211 7.606 11840814
?-?-? 121.384 121.397 7.286 15745358
?-?-? 122.566 119.804 8.860 1144934
?-?-? 119.806 119.813 8.860 28240752
?-?-? 111.502 119.793 8.860 1187221 Q16NE2 V46N V46H Q16HE21/Q16NE2 V46N V46H Q16HE22(QU=0.500)
?-?-? 120.002 116.562 8.334 3635798 N13N R14N R14H N13H/M15N R14N R14H M15H(QU=0.877)
?-?-? 110.252 116.591 8.337 416305
?-?-? 120.024 120.058 8.352 9313224
?-?-? 110.285 120.037 8.354 697638
?-?-? 117.643 117.652 8.843 6936320
?-?-? 116.376 117.667 8.842 1185086 R14N Q16N Q16H R14H/V19N Q16N Q16H V19H(QU=0.907)
?-?-? 110.319 117.681 8.839 734771
?-?-? 122.576 122.603 9.164 9123626
?-?-? 121.254 121.282 8.938 11202859
?-?-? 111.686 121.298 8.936 511489
?-?-? 111.726 116.102 8.624 488976
?-?-? 104.421 116.147 8.629 2467992 T20N V19N V19H T20H/T20N Q21N Q21H T20H(QU=0.840)
?-?-? 116.169 104.424 7.717 3323195 V19N T20N T20H V19H/Q21N T20N T20H Q21H(QU=0.797)
?-?-? 104.430 104.431 7.718 2454723
?-?-? 114.454 114.462 6.850 4755423
?-?-? 113.056 113.053 7.113 6801616
?-?-? 111.693 113.089 7.112 589310 N22ND2 N23N N23H N22HD21/N22ND2 N23N N23H N22HD22(QU=0.254)
?-?-? 111.754 108.009 8.599 623933 N22ND2 G24N G24H N22HD21/N22ND2 G24N G24H N22HD22(QU=0.366)
?-?-? 107.980 107.988 8.599 13838423
?-?-? 111.927 110.556 7.811 628004
?-?-? 110.548 110.548 7.812 20705590
?-?-? 128.234 128.245 8.765 11585891
?-?-? 117.608 114.303 8.173 1173652
?-?-? 114.310 114.305 8.172 2847133
?-?-? 121.726 121.738 6.861 5575593
?-?-? 117.608 121.750 6.861 1261166
?-?-? 111.887 121.750 6.865 487338
?-?-? 113.631 113.630 7.404 17856922
?-?-? 111.960 113.665 7.411 429222
?-?-? 117.581 117.590 9.582 7344772
?-?-? 108.422 108.456 8.871 1121982
?-?-? 128.669 123.112 7.651 537326
?-?-? 123.050 123.068 7.651 2458156
?-?-? 119.400 119.420 7.077 3092247
?-?-? 121.294 121.300 6.733 1193475
?-?-? 124.401 124.447 8.491 980048
?-?-? 116.955 116.977 5.262 526382
?-?-? 119.500 119.506 8.617 56510284
?-?-? 112.178 112.184 9.368 5891015
?-?-? 118.082 118.081 8.007 33142878
?-?-? 118.348 118.357 8.963 28121642
?-?-? 121.355 121.376 8.577 16138502
?-?-? 130.455 130.462 8.447 6366763
?-?-? 108.021 108.035 7.220 2087058
?-?-? 110.602 110.609 8.565 6089076
?-?-? 120.996 120.956 7.856 6234192
?-?-? 119.018 119.028 8.051 10297370
?-?-? 110.610 110.613 7.734 10807750
?-?-? 111.455 111.476 9.616 1158385
?-?-? 113.872 113.877 9.039 7107087
?-?-? 121.866 121.886 7.662 2478390
?-?-? 115.478 115.478 7.370 2878146
?-?-? 124.671 124.695 7.487 6405496
?-?-? 117.199 117.228 8.058 1756552
?-?-? 119.075 119.102 8.277 933611
?-?-? 117.603 117.625 8.583 4873702
?-?-? 119.709 119.716 7.461 28543062
?-?-? 115.879 119.745 7.461 632925 E73N I71N I71H E73H/E74N I71N I71H E74H(QU=0.645)
?-?-? 125.874 125.892 8.241 1115321
?-?-? 115.880 125.977 8.239 441505 E73N E72N E72H E73H/E74N E72N E72H E74H(QU=0.844)
?-?-? 117.327 117.329 7.753 2203130
?-?-? 115.921 117.334 7.753 1792922 E73N V75N V75H E73H/E74N V75N V75H E74H(QU=0.983)
?-?-? 124.786 124.835 9.184 14106086
?-?-? 122.305 122.320 8.461 39866240
?-?-? 120.822 122.364 8.464 404322
?-?-? 126.894 121.912 8.981 633150
?-?-? 121.880 121.892 8.979 24438440
?-?-? 125.332 125.345 8.602 50731356
?-?-? 126.859 126.871 9.327 17097186
?-?-? 121.853 126.815 9.326 516911
?-?-? 105.114 105.124 8.660 2551410
?-?-? 118.223 118.236 7.347 7638982
?-?-? 119.020 119.026 8.119 50345468
?-?-? 125.409 125.426 8.771 9397171
?-?-? 119.314 119.325 9.456 15240625
?-?-? 129.604 129.611 9.392 16576956
?-?-? 120.680 120.691 8.094 12479922
?-?-? 119.441 120.691 8.096 1641033
?-?-? 124.258 124.248 8.994 18744970
?-?-? 119.328 114.902 9.082 802651 D96N S92N S92H D96H/L99N S92N S92H L99H(QU=0.884)
?-?-? 114.879 114.876 9.084 8536652
?-?-? 123.356 123.364 8.711 693723
?-?-? 118.804 118.693 7.901 410010
?-?-? 119.212 119.227 7.366 2526776
?-?-? 112.730 112.720 7.911 2240382
?-?-? 123.091 123.115 8.984 17122042
?-?-? 116.168 123.109 8.983 567913
?-?-? 111.104 123.026 8.987 558318
?-?-? 124.265 119.467 7.724 540692
?-?-? 119.430 119.444 7.730 9325697
?-?-? 103.716 103.729 6.647 7246678
?-?-? 121.487 121.504 8.543 11817875
?-?-? 118.015 118.018 8.236 16687809
?-?-? 127.224 127.234 9.040 11355166
?-?-? 106.570 106.580 8.089 9512613
?-?-? 109.361 109.378 8.532 7290270
?-?-? 118.781 118.732 8.766 988667
?-?-? 107.958 118.585 8.768 813735
?-?-? 118.806 107.958 8.099 2511019
?-?-? 107.971 107.959 8.099 2619599
?-?-? 118.823 118.836 7.537 16524066
?-?-? 107.965 118.839 7.541 1579202
?-?-? 127.123 120.757 8.915 2463963
?-?-? 118.987 120.716 8.910 810797
?-?-? 106.087 120.693 8.913 621513
?-?-? 128.153 128.160 10.085 6778508
?-?-? 129.764 129.777 8.583 11997499
?-?-? 128.290 129.772 8.584 519491
?-?-? 115.539 119.296 7.582 1753200 N117ND2 N117N N117H N117HD21/N117ND2 N117N N117H N117HD22(QU=0.971)
?-?-? 121.160 121.168 10.079 5253541
?-?-? 113.134 113.147 7.365 11509330
?-?-? 125.291 125.304 7.905 9945706
?-?-? 130.725 130.729 8.511 25756552
?-?-? 120.460 120.469 7.996 27871016
?-?-? 118.091 120.480 7.996 2228188 L41N K126N K126H L41H/L129N K126N K126H L129H(QU=1.000)
?-?-? 112.911 112.900 8.284 2071768
?-?-? 120.933 120.947 8.691 12372421
?-?-? 122.261 115.152 7.650 879845
?-?-? 119.964 115.178 7.651 436578
?-?-? 115.157 115.158 7.652 12212356
?-?-? 104.558 104.576 7.422 7899825
?-?-? 118.780 118.808 8.619 11196249
?-?-? 122.249 122.267 9.076 10247586
?-?-? 115.220 122.247 9.075 913238
?-?-? 104.566 122.262 9.076 2130322
?-?-? 117.160 117.174 8.127 7110404
?-?-? 120.838 120.854 7.791 6756908
?-?-? 118.956 118.970 6.913 8503539
?-?-? 118.970 114.060 7.614 4405948 L140N F141N F141H L140H/N142N F141N F141H N142H(QU=0.625)
?-?-? 114.060 114.061 7.615 6558877
?-?-? 121.861 121.875 8.402 7479942
?-?-? 119.846 110.233 6.728 405639
?-?-? 111.448 110.236 6.724 520693
?-?-? 110.289 110.285 6.727 2368023
?-?-? 119.771 110.065 7.553 518179
?-?-? 110.270 110.274 7.548 2348744
?-?-? 113.743 113.573 10.106 1438343
?-?-? 111.419 111.427 9.574 666053
?-?-? 107.750 107.760 7.850 3585116
?-?-? 120.761 106.110 7.786 1029081
?-?-? 118.987 106.101 7.786 2493022
?-?-? 106.096 106.108 7.787 5404812
?-?-? 107.176 107.232 8.577 1538311
?-?-? 131.024 131.025 10.006 14615840
?-?-? 128.480 131.004 10.008 698594
?-?-? 131.683 131.694 9.925 9193944
?-?-? 113.553 119.174 7.474 707915 N110ND2 L112N L112H N110HD21/N110ND2 L112N L112H N110HD22(QU=0.458)
?-?-? 120.716 119.010 7.682 1089067
?-?-? 118.991 118.994 7.681 3943435
?-?-? 106.101 119.015 7.682 2633784
?-?-? 120.161 120.168 8.826 11642216
?-?-? 112.829 112.821 7.840 6108678
?-?-? 127.127 127.134 8.977 5792746
?-?-? 120.738 127.148 8.977 2001452
?-?-? 117.921 127.171 8.977 402312
?-?-? 111.832 111.754 7.285 404289
?-?-? 112.844 112.840 7.155 5953704
?-?-? 112.741 112.712 7.007 8920024
?-?-? 112.961 112.953 6.894 53139716
?-?-? 113.812 113.819 6.841 3341194
?-?-? 111.912 111.890 6.848 43739200
?-?-? 117.300 117.329 7.981 819551
?-?-? 117.759 117.796 8.661 2599824
?-?-? 128.300 117.774 8.662 1436293
?-?-? 119.163 120.191 8.826 1026597 D105N R113N R113H D105H/L112N R113N R113H L112H(QU=0.999)
?-?-? 117.496 117.471 8.286 19356610
?-?-? 117.297 117.265 8.290 13913092
?-?-? 111.765 114.504 6.849 1032368 N22ND2 N22N N22H N22HD21/N22ND2 N22N N22H N22HD22(QU=0.338)
?-?-? 119.355 119.352 7.580 8569167
?-?-? 116.202 119.794 8.860 420958 N13ND2 N13N N13H N13HD21/N13ND2 N13N N13H N13HD22(QU=0.837)
?-?-? 119.171 119.145 8.651 12836778
?-?-? 117.756 118.792 7.590 1122326
?-?-? 124.107 124.155 8.520 565400
?-?-? 119.863 119.808 8.835 10958632
?-?-? 121.042 121.164 8.734 878305
?-?-? 120.792 120.781 7.754 750747
?-?-? 118.788 118.806 8.940 4588040
?-?-? 129.322 129.327 9.404 16701394
?-?-? 119.186 119.145 7.754 8004314
?-?-? 119.186 119.219 7.470 6466366
?-?-? 122.176 122.166 8.443 9772829
?-?-? 123.635 123.624 8.388 4511036
?-?-? 116.503 119.767 8.863 608343 N13ND2 N13N N13H N13HD21/N13ND2 N13N N13H N13HD22/R14N
?-?-? 117.646 119.807 8.859 1253626
?-?-? 118.427 119.005 8.045 2520010 Y42N L51N L51H Y42H/V43N L51N L51H V43H(QU=0.387)
?-?-? 119.249 112.699 7.911 862989 D96N S97N S97H D96H/L99N S97N S97H L99H(QU=0.464)
?-?-? 119.313 123.185 8.985 647851 D96N H98N H98H D96H/L99N H98N H98H L99H(QU=0.947)
?-?-? 121.632 120.675 8.097 645140 K78N V90N V90H K78H/H101N V90N V90H H101H(QU=0.983)
?-?-? 111.747 111.741 6.892 69036760 N22ND2 N22ND2 N22HD22 N22HD21/N104ND2 N104ND2 N104HD22 N104HD21(QU=0.914)
?-?-? 120.176 106.580 8.087 1610341 N104N G106N G106H N104H/R113N G106N G106H R113H(QU=0.781)
K5N-E6N-H 126.325 117.495 8.284 692513
E6N-K5N-H 117.461 126.321 8.497 1538887
E6N-E7N-H 117.557 118.090 7.927 5302450
E6N-K8N-H 117.458 119.790 8.146 1905052
E7N-K5N-H 117.970 126.336 8.498 521797
E7N-E6N-H 118.026 117.500 8.286 4443845
E7N-K8N-H 118.098 119.757 8.143 5384874
E7N-I9N-H 118.095 119.131 8.651 1872285
K8N-E6N-H 119.691 117.471 8.286 1913660
K8N-E7N-H 119.716 118.094 7.928 5795416
K8N-I9N-H 119.731 119.131 8.651 4348574
K8N-K10N-H 119.676 118.731 7.590 1960528
I9N-E6N-H 119.190 117.471 8.286 1110695
I9N-E7N-H 119.063 118.105 7.930 2662720
I9N-K8N-H 119.208 119.766 8.146 5944498
I9N-S11N-H 119.502 112.169 7.595 773778
K10N-S11N-H 118.792 112.193 7.598 3727820
K10N-L12N-H 118.771 121.400 7.286 2156656
K10N-N13N-H 118.749 119.956 8.852 430692
S11N-K8N-H 112.327 119.826 8.143 448326
S11N-I9N-H 112.201 119.214 8.651 1096089
S11N-K10N-H 112.196 118.741 7.590 2942676
S11N-L12N-H 112.203 121.399 7.286 4871680
L12N-I9N-H 121.357 119.168 8.652 675469
L12N-K10N-H 121.389 118.764 7.590 2191236
L12N-S11N-H 121.385 112.205 7.599 5844076
L12N-N13N-H 121.332 119.817 8.856 863648
L12N-N13N-H 121.337 119.823 8.835 575506
L12N-R14N-H 121.320 116.552 8.339 340317
N13N-L12N-H 119.826 121.418 7.287 915895
N13ND2-ND2-HD21 116.529 116.543 8.334 8491272
N13ND2-ND2-HD22 116.201 116.160 7.203 601027
R14N-M15N-H 116.532 120.068 8.352 2250804
M15N-Q16N-H 120.022 117.652 8.842 4931937
M15N-Y17N-H 119.980 122.580 9.164 2729676
M15N-E18N-H 120.134 121.221 8.935 956275
Q16N-R14N-H 117.639 116.586 8.333 1542900
Q16N-M15N-H 117.641 120.073 8.352 5192454
Q16N-Y17N-H 117.650 122.587 9.164 3838978
Q16N-E18N-H 117.655 121.285 8.936 1564887
Q16N-V19N-H 117.544 116.164 8.638 410961
Q16NE2-NE2-HE21 111.505 111.487 6.794 1824688
Q16NE2-NE2-HE22 111.520 111.501 7.861 2485527
Y17N-R14N-H 122.622 116.563 8.332 650917
Y17N-M15N-H 122.579 120.081 8.353 2205973
Y17N-Q16N-H 122.581 117.654 8.844 3723507
Y17N-E18N-H 122.591 121.275 8.936 4797242
Y17N-V19N-H 122.613 116.166 8.638 1041083
E18N-M15N-H 121.259 120.071 8.355 1013340
E18N-Q16N-H 121.225 117.657 8.842 1704683
E18N-Y17N-H 121.267 122.607 9.165 5106314
E18N-V19N-H 121.276 116.185 8.640 3219711
E18N-T20N-H 121.288 104.465 7.721 599884
V19N-Y17N-H 116.215 122.613 9.164 2134446
V19N-E18N-H 116.184 121.284 8.939 4782874
T20N-Y17N-H 104.409 122.595 9.163 405184
T20N-E18N-H 104.423 121.287 8.937 705519
T20N-N22N-H 104.416 114.429 6.849 1174683
T20N-N23N-H 104.456 113.000 7.117 665169
Q21N-V19N-H 116.163 116.162 8.634 10548718
Q21N-N22N-H 116.116 114.483 6.851 3692922
Q21N-N23N-H 116.119 113.047 7.113 2274980
Q21N-G24N-H 116.131 107.992 8.599 1642977
N22N-T20N-H 114.500 104.431 7.717 778350
N22N-Q21N-H 114.443 116.122 8.620 2699728
N22N-N23N-H 114.468 113.060 7.113 3434450
N22N-G24N-H 114.464 107.990 8.598 2157988
N22ND2-ND2-HD21 111.714 111.704 8.114 29159452
N23N-Q21N-H 113.062 116.107 8.620 1610838
N23N-N22N-H 113.031 114.482 6.850 3433195
N23N-G24N-H 113.072 107.979 8.598 4595671
G24N-Q21N-H 107.983 116.128 8.619 1172163
G24N-N22N-H 107.979 114.465 6.850 2271434
G24N-N23N-H 107.982 113.069 7.113 4619354
G24N-T25N-H 108.008 110.577 7.809 531135
T25N-E26N-H 110.553 128.240 8.769 520111
E26N-T25N-H 128.213 110.569 7.813 871912
E26N-W64NE1-HE1 128.253 131.702 9.924 1857527
F29N-Q30N-H 114.254 121.745 6.860 1527401
F29N-N31N-H 114.545 113.621 7.406 1589734
Q30N-F29N-H 121.726 114.313 8.171 1530384
Q30N-N31N-H 121.725 113.626 7.406 2885174
N31N-F29N-H 113.762 114.332 8.173 1150683
N31N-Q30N-H 113.608 121.750 6.860 2937924
N31N-W34NE1-HE1 113.643 131.038 10.006 1489337
E32N-N31N-H 117.618 113.602 7.406 1527471
E32N-Y33N-H 117.591 108.428 8.869 852944
E32N-W34N-H 117.556 123.052 7.652 806032
Y33N-E32N-H 108.452 117.591 9.581 969165
Y33N-W34N-H 108.449 123.077 7.652 1181424
W34N-E32N-H 123.056 117.607 9.582 582363
W34N-Y33N-H 123.050 108.467 8.873 871768
W34N-D35N-H 123.058 119.436 7.079 831906
W34NE1-Q30N-H 130.978 121.806 6.861 631857
W34NE1-N31N-H 131.024 113.628 7.406 3067018
D35N-W34N-H 119.402 123.071 7.652 795966
D35N-H36N-H 119.438 121.328 6.734 1443221
H36N-Y33N-H 121.311 108.456 8.879 416766
H36N-W34N-H 121.300 123.041 7.652 494075
H36N-D35N-H 121.322 119.461 7.079 1011345
E38N-K37N-H 116.947 124.199 8.522 595385
E39N-G40N-H 119.478 112.173 9.368 631581
G40N-S54N-H 112.186 113.888 9.038 1649561
L41N-G40N-H 118.134 112.165 9.368 861693
L41N-V124N-H 118.100 130.729 8.511 9235164
Y42N-F52N-H 118.412 110.614 7.734 4009876
Y42N-S54N-H 118.276 113.880 9.041 932324
V43N-D44N-H 118.483 121.353 8.582 1086403
V43N-R122N-H 118.478 118.483 8.923 27351200
D44N-V43N-H 121.366 118.530 9.184 463585
D44N-I45N-H 121.217 130.510 8.447 529533
D44N-L51N-H 121.346 119.029 8.050 769558
D44N-R122N-H 121.285 118.482 8.930 419926
I45N-V46N-H 130.469 119.811 8.835 1032841
I45N-G48N-H 130.444 110.599 8.568 404054
I45N-R122N-H 130.545 118.494 8.921 817803
V46N-D44N-H 119.657 121.385 8.577 495689
V46N-I45N-H 119.803 130.463 8.447 1337042
V46N-S47N-H 119.837 108.016 7.216 1067031
V46N-G48N-H 119.789 110.616 8.564 1528589
V46N-K49N-H 119.849 120.995 7.855 535559
S47N-I45N-H 107.992 130.486 8.445 554446
S47N-V46N-H 108.012 119.841 8.834 1202406
S47N-G48N-H 108.028 110.606 8.565 2525581
S47N-K49N-H 108.023 120.982 7.856 1178050
G48N-D44N-H 110.610 121.364 8.581 1278645
G48N-I45N-H 110.587 130.506 8.445 446564
G48N-V46N-H 110.420 119.792 8.856 1849370
G48N-S47N-H 110.598 108.041 7.219 1753037
G48N-K49N-H 110.611 120.977 7.855 2913779
K49N-S47N-H 121.087 108.022 7.220 699534
K49N-G48N-H 121.066 110.610 8.564 2549958
L51N-Y42N-H 119.259 118.438 8.964 1424424
L51N-F52N-H 119.017 110.616 7.734 6440958
F52N-Y42N-H 110.606 118.348 8.966 3895846
F52N-L51N-H 110.605 119.041 8.050 6300241
S54N-G40N-H 113.860 112.188 9.367 1664011
S54N-K55N-H 113.907 121.885 7.661 1690995
S54N-D56N-H 113.907 115.488 7.370 799887
S54N-K57N-H 113.847 124.719 7.486 471468
K55N-G40N-H 121.837 112.208 9.369 470729
K55N-S54N-H 121.883 113.872 9.039 1710587
K55N-D56N-H 121.882 115.471 7.369 1665475
K55N-K57N-H 121.923 124.693 7.489 1079205
D56N-S54N-H 115.429 113.866 9.036 651583
D56N-K55N-H 115.487 121.891 7.663 1497630
D56N-K57N-H 115.469 124.694 7.487 2349406
K57N-K55N-H 124.670 121.907 7.663 893805
K57N-D56N-H 124.671 115.476 7.369 2569082
G63N-W64N-H 104.912 120.653 7.750 411837
W64NE1-E26N-H 131.691 128.257 8.765 948530
F67N-Y114N-H 117.621 128.159 10.085 2033481
T68N-K69N-H 113.817 113.929 7.184 2869509
T68N-K69N-H 113.615 113.591 7.165 7045638
K69N-T68N-H 113.635 113.696 10.034 3889324
E72N-I71N-H 125.896 119.726 7.461 929694
E72N-E73N-H 125.960 115.850 8.823 856969
E73N-E74N-H 115.929 115.967 7.570 4614156
E74N-E73N-H 115.847 115.826 8.822 10780898
V75N-E73N-H 117.309 115.824 8.820 1507780
V75N-E74N-H 117.301 115.963 7.569 1989766
E76N-E77N-H 124.786 122.349 8.462 764934
E76N-R91N-H 124.770 124.258 8.993 5992260
E77N-E76N-H 122.287 124.831 9.183 691260
E77N-R91N-H 122.281 124.310 8.994 586499
K78N-L79N-H 121.903 125.333 8.602 1267761
K78N-E89N-H 121.865 129.295 9.406 6590626
L79N-K78N-H 125.315 121.903 8.980 1358348
L79N-E89N-H 125.336 129.301 9.408 909871
D80N-L79N-H 126.830 125.363 8.603 1127464
D80N-T81N-H 126.892 118.762 8.938 421242
D80N-R87N-H 126.862 125.439 8.771 3979474
D80N-T88N-H 126.945 119.302 9.456 524890
D80N-E89N-H 126.908 129.309 9.406 2354525
T81N-S82N-H 118.662 118.382 8.419 516681
G84N-M85N-H 105.117 118.224 7.347 2024291
M85N-G84N-H 118.194 105.125 8.659 1926286
I86N-M85N-H 118.992 118.237 7.349 959313
I86N-R87N-H 119.097 125.449 8.771 1324388
R87N-D80N-H 125.398 126.856 9.327 3514916
R87N-I86N-H 125.413 119.035 8.120 967222
R87N-T88N-H 125.451 119.324 9.457 400987
T88N-D80N-H 119.232 126.833 9.328 509844
T88N-E89N-H 119.311 129.304 9.407 762467
T88N-V102N-H 119.320 117.979 8.236 988919
E89N-K78N-H 129.251 121.894 8.980 5916245
E89N-L79N-H 129.285 125.344 8.601 419080
E89N-D80N-H 129.260 126.842 9.326 1660860
E89N-T88N-H 129.281 119.351 9.457 623162
V90N-E89N-H 120.621 129.260 9.407 807655
V90N-R91N-H 120.694 124.178 8.991 766911
V90N-G100N-H 120.674 103.723 6.648 2691693
V90N-H101N-H 120.777 121.473 8.543 839143
V90N-V102N-H 120.583 118.014 8.236 655472
R91N-E76N-H 124.261 124.877 9.184 6827423
R91N-K78N-H 124.245 121.975 8.983 524839
R91N-V90N-H 124.270 120.690 8.096 720440
R91N-S92N-H 124.391 114.912 9.082 586609
S92N-D96N-H 114.873 119.239 7.368 1080525
S92N-S97N-H 114.870 112.694 7.912 2135010
S92N-H98N-H 114.974 123.053 8.984 411719
D96N-A95N-H 119.020 118.822 7.871 424068
S97N-S92N-H 112.694 114.858 9.082 1792603
S97N-D96N-H 112.707 119.230 7.365 1405349
S97N-H98N-H 112.996 123.032 8.984 470511
L99N-G100N-H 119.459 103.728 6.648 5309373
G100N-V90N-H 103.706 120.694 8.094 2299965
G100N-L99N-H 103.719 119.462 7.730 5143161
G100N-H101N-H 103.698 121.550 8.540 542751
H101N-G100N-H 121.403 103.689 6.642 468280
H101N-C115N-H 121.550 129.680 9.396 4585428
V102N-T88N-H 117.995 119.340 9.456 2359634
V102N-E89N-H 117.987 129.574 9.394 797847
V102N-E89N-H 118.044 129.297 9.407 665177
V102N-V90N-H 118.024 120.689 8.095 752748
V102N-H101N-H 118.034 121.513 8.543 917028
V102N-F103N-H 118.076 127.218 9.038 691856
F103N-V102N-H 127.164 118.009 8.237 840695
F103N-D105N-H 127.220 119.172 7.756 551875
F103N-G106N-H 127.153 106.543 8.091 481547
F103N-R113N-H 127.218 120.187 8.825 4908534
F103N-Y114N-H 127.283 128.130 10.086 504589
F103N-C115N-H 127.149 129.651 9.396 1382530
N104N-D105N-H 120.647 119.447 7.730 1676137
N104ND2-ND2-HD21 111.828 111.813 7.561 85207896
D105N-G106N-H 119.156 106.579 8.088 4093505
G106N-D105N-H 106.575 119.164 7.756 3984777
G106N-R113N-H 106.597 120.217 8.826 812130
N110ND2-ND2-HD21 113.488 113.470 7.990 5539852
N110ND2-ND2-HD22 113.464 113.427 7.653 5181146
G111N-G108N-H 107.744 109.341 8.529 435688
G111N-N110N-H 107.754 113.916 8.380 451745
G111N-L112N-H 107.756 119.160 7.471 1246817
L112N-G108N-H 119.074 109.369 8.535 510886
L112N-G111N-H 119.121 107.763 7.850 1872452
R113N-F103N-H 120.190 127.233 9.041 3969388
R113N-N104N-H 120.526 120.589 8.862 551619
R113N-Y114N-H 120.182 128.130 10.088 599544
Y114N-F67N-H 128.146 117.629 8.583 2803884
Y114N-C115N-H 128.141 129.606 9.394 613312
C115N-H101N-H 129.682 121.509 8.541 2831462
C115N-Y114N-H 129.675 128.201 10.086 485318
N117N-H101N-H 119.432 121.514 8.541 450128
S118N-A119N-H 128.615 121.169 10.078 2109979
S118N-A120N-H 128.611 113.052 7.356 455246
A119N-A120N-H 121.184 113.076 7.358 1754349
A119N-L121N-H 121.148 117.206 8.294 1167088
A120N-A119N-H 113.055 121.176 10.078 2207651
A120N-L121N-H 113.070 117.233 8.292 6229214
L121N-A119N-H 117.257 121.172 10.079 1383011
L121N-A120N-H 117.219 113.087 7.358 6004670
R122N-V43N-H 118.495 118.514 9.184 9874562
R122N-I45N-H 118.523 130.483 8.447 1239680
R122N-L121N-H 118.468 117.294 8.286 1619960
R122N-F123N-H 118.475 125.317 7.906 1543832
F123N-R122N-H 125.321 118.575 8.929 451823
V124N-L41N-H 130.726 118.079 8.007 9228195
V124N-Y42N-H 130.699 118.416 8.967 681000
V124N-V43N-H 130.693 118.538 9.188 694413
V124N-F123N-H 130.729 125.313 7.903 832280
K126N-L41N-H 120.480 118.043 8.005 518632
K126N-H127N-H 120.472 112.894 8.281 2682340
K126N-K128N-H 120.565 118.875 7.535 1222298
H127N-K126N-H 112.896 120.454 7.996 1762368
H127N-K128N-H 112.900 118.845 7.534 1468735
H127N-L129N-H 112.924 118.023 7.176 696293
K128N-K126N-H 118.957 120.463 7.996 1698990
K128N-H127N-H 118.868 112.902 8.284 2588306
K128N-L129N-H 118.818 118.027 7.177 6947787
L129N-H127N-H 118.076 112.903 8.283 2257126
L129N-K128N-H 118.058 118.845 7.534 9284736
L129N-K130N-H 118.228 118.261 8.897 14220069
K130N-L129N-H 118.056 118.032 7.177 15171308
K130N-E131N-H 118.145 120.945 8.691 6978807
K130N-E132N-H 118.206 115.175 7.650 3028571
E131N-L129N-H 120.800 118.025 7.176 980082
E131N-K130N-H 120.935 118.178 8.897 4144812
E131N-E132N-H 120.930 115.164 7.652 5899188
E131N-G133N-H 120.944 104.594 7.422 1588396
E132N-L129N-H 115.153 118.038 7.177 406472
E132N-K130N-H 115.180 118.220 8.898 1341379
E132N-E131N-H 115.166 120.944 8.692 5415288
E132N-G133N-H 115.161 104.575 7.422 4469414
E132N-Y134N-H 115.166 118.785 8.617 2935441
G133N-K130N-H 104.548 118.152 8.895 483566
G133N-E131N-H 104.566 120.956 8.692 1809435
G133N-E132N-H 104.569 115.169 7.652 5159052
G133N-Y134N-H 104.578 118.806 8.617 5810632
Y134N-E131N-H 118.810 121.017 8.685 1138802
Y134N-E132N-H 118.674 115.163 7.651 3156896
Y134N-G133N-H 118.770 104.587 7.423 5295300
Y134N-E135N-H 118.787 122.257 9.076 4809488
E135N-G133N-H 122.244 104.614 7.423 1632738
E135N-Y134N-H 122.242 118.798 8.618 4227615
E135N-Y137N-H 122.240 117.204 8.128 442666
Y137N-E135N-H 117.249 122.253 9.076 462094
Y137N-L138N-H 117.167 120.861 7.791 4245083
L138N-E135N-H 120.868 122.299 9.077 573898
L138N-Y137N-H 120.838 117.185 8.127 4620386
L140N-L138N-H 118.827 120.901 7.789 497915
L140N-N142N-H 118.950 118.836 7.620 2257352
F141N-L140N-H 114.059 118.978 6.914 3785442
F141N-N142N-H 114.084 118.843 7.622 536997
N142ND2-N-H 112.253 118.821 7.620 580745
N142ND2-ND2-HD21 112.053 112.043 7.719 17975648
N142ND2-ND2-HD22 112.083 112.077 7.017 19356458
L144N-E145N-H 123.691 121.840 8.402 445074
E145N-L144N-H 121.808 123.760 8.370 532527
;
save_
save_NCH_noesy
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D (N15)HSQC-NOESY-(C13)HSQC'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 H 'all H'
2 C methyl
3 N all
stop_
_Sample_label $SR10.026
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
Assignment w1 w2 w3 Data Height Note
?-?-? 119.042 22.356 0.699 1814778 L112N L112CD2 L112HD2 L112H/L140N L140CD2 L140HD2 L140H(QU=0.879)
?-?-? 129.695 9.435 0.423 2526405 C115N I116CD1 I116HD1 C115H/I116N I116CD1 I116HD1 I116H(QU=0.930)
?-?-? 118.068 22.392 0.431 7285673 L41N L129CD2 L129HD2 L41H/L129N L129CD2 L129HD2 L129H(QU=0.998)
?-?-? 119.010 22.347 0.676 1388566 L112N L112CD2 L112HD2 L112H/L140N L140CD2 L140HD2 L140H(QU=1.000)
?-?-? 118.252 24.891 0.221 3512502 L41N L41CD1 L41HD1 L41H/Y42N L41CD1 L41HD1 Y42H(QU=0.976)
?-?-? 118.926 22.392 0.431 1165489 K128N L129CD2 L129HD2 K128H/Y134N L129CD2 L129HD2 Y134H(QU=0.797)
?-?-? 121.312 22.683 0.883 2846556 E18N V19CG2 V19HG2 E18H/D44N V46CG2 V46HG2 D44H/K49N
?-?-? 119.792 21.584 0.744 3033289 N13N L12CD2 L12HD2 N13H/V46N L12CD2 L12HD2 V46H(QU=0.918)
?-?-? 119.026 24.894 0.221 943740 L51N L41CD1 L41HD1 L51H/L140N L41CD1 L41HD1 L140H(QU=0.846)
?-?-? 124.315 22.902 0.896 4577326
?-?-? 111.733 22.326 0.706 5026788 N104ND2 L112CD2 L112HD2 N104HD21/N104ND2 L112CD2 L112HD2 N104HD22(QU=0.793)
?-?-? 120.231 22.260 0.703 1802472 N104N L112CD2 L112HD2 N104H/R113N L112CD2 L112HD2 R113H(QU=0.990)
?-?-? 116.331 13.811 0.820 1287571 N13ND2 I9CD1 I9HD1 N13HD21/N13ND2 I9CD1 I9HD1 N13HD22(QU=0.979)
?-?-? 116.223 21.601 0.744 1073289 N13ND2 L12CD2 L12HD2 N13HD21/N13ND2 L12CD2 L12HD2 N13HD22(QU=0.915)
?-?-? 111.484 14.923 0.924 8115672 Q16NE2 I45CD1 I45HD1 Q16HE21/Q16NE2 I45CD1 I45HD1 Q16HE22(QU=0.642)
?-?-? 116.280 21.450 0.919 890031 N13ND2 V46CG1 V46HG1 N13HD21/N13ND2 V46CG1 V46HG1 N13HD22(QU=0.971)
?-?-? 118.382 13.243 0.394 1339647
?-?-? 107.993 22.694 0.876 1080927 G24N V19CG2 V19HG2 G24H/S47N V46CG2 V46HG2 S47H(QU=0.926)
?-?-? 119.591 22.849 0.881 2303276
?-?-? 117.987 22.941 0.894 1685526 Q16N V19CG2 V19HG2 Q16H/V102N V90CG1 V90HG1 V102H(QU=0.999)
?-?-? 113.142 20.639 0.950 1538771 N23N V19CG1 V19HG1 N23H/A120N V19CG1 V19HG1 A120H(QU=0.972)
?-?-? 110.581 14.957 0.925 1462108
?-?-? 118.009 20.840 0.683 4015872
?-?-? 119.415 20.829 0.683 2378416
?-?-? 127.096 20.827 0.680 725464
?-?-? 113.446 25.918 1.043 1024210 N110ND2 L112CD1 L112HD1 N110HD21/N110ND2 L112CD1 L112HD1 N110HD22(QU=0.942)
?-?-? 118.307 20.079 0.520 4090136 L41N V124CG2 V124HG2 L41H/V43N V124CG2 V124HG2 V43H(QU=0.925)
?-?-? 118.111 25.127 1.082 2271542 L129N L138CD1 L138HD1 L129H/K130N L138CD1 L138HD1 K130H(QU=0.986)
?-?-? 108.017 22.655 0.883 1080927 G24N V19CG2 V19HG2 G24H/S47N V46CG2 V46HG2 S47H(QU=0.852)
?-?-? 124.328 21.053 0.522 1261374
I9N-CD1-HD1 119.053 13.837 0.821 1215298
L12N-CD2-HD2 121.445 21.585 0.744 2211644
N13ND2-L12CD1-HD1 116.191 26.040 0.825 1507253
V19N-CG1-HG1 116.137 20.633 0.951 2860871
V19N-CG2-HG2 116.179 22.683 0.883 9704465
T20N-V19CG2-HG2 104.448 22.575 0.884 1307804
E26N-V19CG1-HG1 128.299 20.618 0.950 1460489
E26N-V19CG2-HG2 128.295 22.638 0.885 4404308
L41N-L129CD1-HD1 118.068 26.421 0.676 3193453
Y42N-L41CD2-HD2 118.128 24.185 0.508 4071692
V43N-CG1-HG1 118.459 19.875 0.077 10006847
V43N-CG2-HG2 118.471 18.192 0.691 9377737
D44N-V43CG1-HG1 121.347 19.890 0.076 1511870
D44N-V43CG2-HG2 121.439 18.208 0.692 1028349
D44N-V46CG2-HG2 121.590 22.987 0.896 1159057
D44N-L51CD1-HD1 121.332 27.207 0.783 1301523
D44N-L51CD2-HD2 121.319 23.639 0.629 1024191
D44N-L99CD2-HD2 121.327 23.650 0.689 445707
D44N-L121CD2-HD2 121.358 22.791 0.708 1015244
I45N-V43CG2-HG2 130.603 18.178 0.692 1218093
I45N-L121CD2-HD2 130.468 22.718 0.707 832229
V46N-I45CD1-HD1 119.759 14.943 0.922 922609
V46N-CG1-HG1 119.879 21.406 0.917 1405557
S47N-V46CG1-HG1 108.084 21.406 0.917 1136876
G48N-V46CG1-HG1 110.615 21.428 0.913 894899
G48N-V46CG2-HG2 110.574 22.651 0.883 1518210
L51N-L41CD2-HD2 119.053 24.223 0.515 1283577
L51N-CD2-HD2 119.017 23.601 0.630 858912
L51N-I71CD1-HD1 118.990 13.205 0.395 2078481
F52N-L41CD2-HD2 110.574 24.183 0.510 1023052
F52N-V43CG1-HG1 110.573 19.872 0.078 1211967
F52N-I71CD1-HD1 110.611 13.211 0.396 2195035
I71N-CD1-HD1 119.761 13.214 0.394 1501903
I71N-V75CG1-HG1 119.525 21.548 0.623 927439
I71N-V75CG2-HG2 119.644 21.063 0.524 1361189
E74N-V75CG1-HG1 115.968 21.532 0.621 855734
E74N-V75CG2-HG2 115.940 21.040 0.524 1988834
V75N-CG1-HG1 117.363 21.547 0.620 1075970
V75N-CG2-HG2 117.322 21.023 0.523 2306212
E76N-V75CG1-HG1 124.781 21.547 0.622 3878007
E76N-V75CG2-HG2 124.745 21.044 0.525 1473105
E76N-V90CG1-HG1 124.780 22.905 0.896 2212371
E76N-V90CG2-HG2 124.933 20.871 0.684 1194331
L79N-CD2-HD2 125.383 25.153 0.869 2027261
D80N-L79CD1-HD1 126.818 23.506 0.909 11230816
D80N-L79CD2-HD2 126.820 25.159 0.869 2126165
I86N-CD1-HD1 119.073 12.514 0.824 1786232
R87N-L79CD1-HD1 125.418 23.512 0.909 4880095
T88N-L79CD1-HD1 119.157 23.474 0.911 894105
E89N-L79CD1-HD1 129.315 23.507 0.913 811306
V90N-CG1-HG1 120.746 22.902 0.896 3035227
V90N-CG2-HG2 120.746 20.838 0.684 9232160
V90N-I116CD1-HD1 120.676 9.410 0.422 976449
R91N-V75CG1-HG1 124.405 21.519 0.624 3105507
R91N-V90CG2-HG2 124.315 20.838 0.684 2873267
R91N-L99CD1-HD1 124.364 27.284 0.722 1002103
S92N-L99CD2-HD2 114.855 23.619 0.694 849491
L99N-CD2-HD2 119.425 23.626 0.692 1015781
G100N-V90CG1-HG1 103.673 22.970 0.895 1065946
H101N-V90CG2-HG2 121.502 20.829 0.685 2661552
H101N-I116CD1-HD1 121.510 9.445 0.423 2351825
V102N-CG1-HG1 118.008 19.180 0.464 7148566
V102N-CG2-HG2 118.042 21.461 0.068 2690333
V102N-L112CD2-HD2 118.033 22.311 0.704 704857
F103N-V102CG1-HG1 127.150 19.177 0.468 2127078
F103N-V102CG2-HG2 127.190 21.456 0.063 5680762
F103N-L112CD2-HD2 127.157 22.325 0.706 1474499
R113N-V102CG1-HG1 120.213 19.240 0.466 1152943
R113N-V102CG2-HG2 120.220 21.454 0.068 3095729
C115N-V90CG2-HG2 129.590 20.812 0.684 1453937
N117N-V19CG1-HG1 119.306 20.591 0.951 1486221
N117N-I116CD1-HD1 119.380 9.438 0.422 1060110
A119N-V19CG1-HG1 121.269 20.638 0.950 1088758
A120N-V19CG2-HG2 113.081 22.626 0.884 930242
A120N-L121CD1-HD1 113.149 24.229 0.628 838862
A120N-L121CD2-HD2 112.993 22.705 0.707 981876
L121N-CD1-HD1 117.327 24.197 0.630 1292068
L121N-CD2-HD2 117.343 22.803 0.708 1347993
R122N-I45CD1-HD1 118.469 14.949 0.926 975383
R122N-L121CD1-HD1 118.406 24.182 0.628 1570811
R122N-L121CD2-HD2 118.434 22.795 0.708 3421124
V124N-V43CG1-HG1 130.659 19.867 0.079 2139797
V124N-CG1-HG1 130.697 20.918 0.564 1797701
V124N-CG2-HG2 130.672 20.092 0.520 5582788
V124N-L129CD2-HD2 130.694 22.397 0.432 1759801
K128N-V124CG1-HG1 118.746 20.905 0.569 1303885
L129N-V124CG1-HG1 118.123 20.920 0.563 2917334
L129N-V124CG1-HG1 118.123 20.920 0.563 2917334
K130N-L138CD2-HD2 118.092 24.515 1.001 3301017
Y134N-L138CD2-HD2 118.808 24.522 0.993 882580
Y134N-L138CD2-HD2 118.842 24.563 1.000 954064
L138N-CD1-HD1 120.888 25.110 1.082 1312166
L138N-CD2-HD2 120.930 24.525 0.999 1173858
;
save_
save_N15_noesy
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D 1H-15N NOESY'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 H 'all H'
2 N all
3 H 'all H'
stop_
_Sample_label $SR10.026
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
Assignment w1 w2 w3 Data Height Note
?-?-? 0.038 120.832 8.913 536177
?-?-? 0.043 127.196 8.974 793069
V102HG2-Y114N-H 0.047 128.248 10.066 201198
V102HG2-C115N-H 0.057 129.675 9.390 248897
V102HG2-N-H 0.058 118.056 8.234 787610
V102HG2-F103N-H 0.068 127.279 9.038 1278365
V102HG2-Y114N-H 0.068 128.159 10.084 214016
V102HG2-R113N-H 0.069 120.224 8.823 966311
V43HG1-F52N-H 0.074 110.678 7.731 333557
V43HG1-D44N-H 0.075 121.440 8.578 473879
V43HG1-L51N-H 0.075 119.032 8.048 435143
V43HG1-N-H 0.077 118.531 9.183 1116551
V43HG1-K49N-H 0.077 120.978 7.853 107338
?-?-? 0.077 118.521 8.921 801352
V43HG1-V124N-H 0.078 130.861 8.508 555339
V43HG1-Y42N-H 0.087 118.395 8.960 468270
V43HG1-L41N-H 0.088 118.177 8.003 217616
L41HD1-V124N-H 0.190 130.875 8.509 208909
L41HD1-L51N-H 0.209 119.102 8.048 251086
L41HD1-F52N-H 0.210 110.743 7.730 260637
L41HD1-N-H 0.217 118.138 8.004 496417
L41HD1-Y137N-H 0.217 117.230 8.125 150959
L41HD1-Y42N-H 0.218 118.400 8.962 702406
I71HD1-N-H 0.395 119.806 7.459 439974
I71HD1-F52N-H 0.415 110.658 7.731 567980
I71HD1-L51N-H 0.419 119.040 8.048 502075
I116HD1-N-H 0.422 129.797 8.580 368129
L129HD2-L138N-H 0.430 120.929 7.789 176235
I116HD1-G100N-H 0.432 103.766 6.643 276252
I116HD1-H101N-H 0.435 121.606 8.538 686375
?-?-? 0.435 129.677 9.388 687902 V102HG1-C115N-C115H/I116HD1-C115N-C115H(QU=0.975)
L129HD2-K128N-H 0.445 118.868 7.533 573433
L129HD2-L41N-H 0.450 118.136 8.003 1826922
L129HD2-N-H 0.455 118.092 7.174 687448
L129HD2-E131N-H 0.455 120.989 8.691 175502
L129HD2-H127N-H 0.457 113.009 8.279 151729
V102HG1-V90N-H 0.458 120.762 8.092 464099
I116HD1-L99N-H 0.459 119.497 7.723 172829
L129HD2-Y137N-H 0.462 117.298 8.125 196776
?-?-? 0.463 127.237 8.975 358752
V102HG1-K78N-H 0.465 121.992 8.978 236946
V102HG1-N-H 0.465 118.052 8.234 2627031
V102HG1-F103N-H 0.465 127.273 9.038 541811
?-?-? 0.466 120.853 8.913 192673
?-?-? 0.467 119.350 9.454 505184
?-?-? 0.467 119.362 7.725 185128
V102HG1-R113N-H 0.469 120.215 8.822 402637
L129HD2-K126N-H 0.470 120.549 7.994 323392
?-?-? 0.473 118.823 8.616 224092
?-?-? 0.476 124.327 8.993 366663
?-?-? 0.476 122.452 8.457 152697
?-?-? 0.506 112.295 9.366 205647
L41HD2-S54N-H 0.508 113.887 9.035 425803
L41HD2-Y42N-H 0.510 118.401 8.961 1149836
?-?-? 0.510 118.165 8.003 1780069
V124HG2-V43N-H 0.523 118.520 9.182 668234
V124HG2-F123N-H 0.523 125.279 7.900 266366
V124HG2-N-H 0.524 130.846 8.508 2634294
L41HD2-L51N-H 0.526 119.103 8.048 453532
?-?-? 0.528 119.423 7.452 702636
?-?-? 0.529 118.495 8.925 661805
V75HG2-N-H 0.540 117.449 7.752 695478
?-?-? 0.541 104.592 7.419 174731
V124HG1-E132N-H 0.543 115.245 7.649 409544
V124HG1-L129N-H 0.544 118.071 7.174 685950
V75HG2-E73N-H 0.546 115.889 8.818 323058
V75HG2-E74N-H 0.546 116.031 7.566 588918
V75HG2-I71N-H 0.547 119.727 7.458 921893
V124HG1-K128N-H 0.548 118.886 7.531 659152
V124HG1-H127N-H 0.558 113.002 8.278 180690
?-?-? 0.610 121.000 8.687 175938
V75HG1-E76N-H 0.631 124.866 9.181 1824081
?-?-? 0.633 123.457 8.713 226616
V75HG1-E77N-H 0.641 122.339 8.457 346180
?-?-? 0.660 124.264 8.992 1577619
?-?-? 0.661 119.505 7.461 738156
L129HD1-N-H 0.661 118.092 7.173 615282
L129HD1-H127N-H 0.663 113.009 8.281 151677
L129HD1-L41N-H 0.666 118.158 8.005 884653
?-?-? 0.670 119.806 7.457 626067
L129HD1-K126N-H 0.671 120.576 7.994 434717
?-?-? 0.671 130.790 8.510 730839
?-?-? 0.672 129.803 8.581 272234
?-?-? 0.673 121.287 10.078 196336
L129HD1-Y137N-H 0.673 117.365 8.126 358274
L129HD1-L138N-H 0.676 120.913 7.789 426109
L140HD2-N-H 0.677 118.989 6.911 851235
L140HD2-F141N-H 0.678 114.049 7.612 467927
L129HD1-Y134N-H 0.679 118.868 8.617 153997
L121HD2-A120N-H 0.680 113.125 7.356 634583
V43HG2-F123N-H 0.680 125.356 7.902 307509
?-?-? 0.681 119.015 8.048 849727
?-?-? 0.682 110.669 7.732 749684
L129HD1-K128N-H 0.682 118.895 7.533 660211
V90HG2-N-H 0.683 120.760 8.091 2626802
V90HG2-C115N-H 0.683 129.628 9.390 669953
V90HG2-H101N-H 0.684 121.681 8.543 1126694
?-?-? 0.685 118.055 8.234 1069418
L121HD2-N-H 0.686 117.330 8.290 880870
V90HG2-G100N-H 0.686 103.783 6.645 1432127
L112HD2-T88N-H 0.688 119.327 9.458 158893
V43HG2-N-H 0.690 118.535 9.182 1732314
?-?-? 0.690 118.507 8.920 2284091 V43HG2-R122N-R122H/L121HD2-R122N-R122H(QU=0.412)
L99HD2-N-H 0.690 119.462 7.726 1351137
V90HG2-K78N-H 0.690 121.884 8.980 209296
?-?-? 0.691 119.203 7.365 264287
L112HD2-G106N-H 0.693 106.642 8.085 163325
V43HG2-K49N-H 0.694 121.056 7.853 391712
V43HG2-D44N-H 0.696 121.438 8.576 1586784
L112HD2-F103N-H 0.696 127.305 9.038 350889
?-?-? 0.696 118.395 8.960 721732
L99HD1-S92N-H 0.699 114.915 9.082 1415948
?-?-? 0.699 112.757 7.909 476520
V43HG2-G48N-H 0.701 110.652 8.563 370907
L112HD2-R113N-H 0.704 120.274 8.831 921413
L112HD2-N104ND2-HD22 0.708 111.774 6.889 785307
L112HD2-N104ND2-HD21 0.708 111.811 7.562 857061
?-?-? 0.713 127.223 8.976 200888
V43HG2-I45N-H 0.715 130.562 8.443 803511
L121HD2-N117N-H 0.716 119.125 7.580 419471
?-?-? 0.725 120.891 8.912 355631
L12HD2-S47N-H 0.742 108.056 7.217 216688
?-?-? 0.745 121.476 7.283 1320602
?-?-? 0.754 120.504 8.861 274360
?-?-? 0.769 119.862 8.851 1288443 L12HD2-N13N-N13H/L12HD2-V46N-V46H(QU=0.614)
?-?-? 0.778 112.263 7.592 509234
I86HD1-N-H 0.838 119.140 8.117 507911
L12HD1-N-H 0.840 121.445 7.282 852772
?-?-? 0.845 122.689 9.163 685547
I9HD1-N13ND2-HD22 0.849 116.362 7.198 746667
I9HD1-N-H 0.850 119.176 8.648 782210
?-?-? 0.852 114.853 9.079 301087
I9HD1-N13ND2-HD21 0.856 116.319 8.340 593310
L140HD1-N-H 0.859 118.995 6.912 675874
?-?-? 0.861 117.826 8.838 291974 L12HD1-Q16N-Q16H/V19HG2-Q16N-Q16H(QU=0.533)
L140HD1-F141N-H 0.861 114.020 7.610 328643
V46HG2-K49N-H 0.869 120.978 7.851 273345
?-?-? 0.870 119.733 8.141 417172
V46HG2-S97N-H 0.871 112.774 7.913 166004
?-?-? 0.877 122.013 8.400 227216 L144HD1-E145N-E145H/L144HD2-E145N-E145H(QU=0.618)
?-?-? 0.882 119.875 8.837 1645402 V46HG1-V46N-V46H/V46HG2-V46N-V46H(QU=0.981)
V46HG2-I45N-H 0.882 130.557 8.444 677503
?-?-? 0.882 114.471 6.847 490920
V19HG2-T20N-H 0.884 104.398 7.713 1056785
?-?-? 0.888 121.332 8.935 1113998
V90HG1-E76N-H 0.890 124.846 9.181 732113
V19HG2-M15N-H 0.891 120.095 8.350 208079
V90HG1-N-H 0.891 120.773 8.092 1050074
V90HG1-R91N-H 0.892 124.255 8.991 1298112
V90HG1-V102N-H 0.892 118.043 8.234 468570
V46HG2-S47N-H 0.893 108.145 7.215 753232
V46HG2-G48N-H 0.893 110.680 8.563 650280
?-?-? 0.893 103.793 6.645 507538
V19HG2-N-H 0.894 116.233 8.634 2926193
L79HD1-N-H 0.894 125.409 8.600 1232594
I45HD1-R122N-H 0.894 118.613 8.931 358578
?-?-? 0.895 119.435 7.726 448528
?-?-? 0.895 121.567 8.539 379760
V90HG1-C115N-H 0.895 129.735 9.391 268758
V90HG1-E77N-H 0.896 122.462 8.458 214858
L79HD1-T88N-H 0.896 119.340 9.452 327786
?-?-? 0.897 110.609 7.809 792410
V90HG1-K78N-H 0.897 121.980 8.978 443597
?-?-? 0.897 129.371 9.399 631722 L79HD1-E89N-E89H/V90HG1-E89N-E89H(QU=0.945)
L79HD1-R87N-H 0.898 125.500 8.769 1264686
V19HG2-E26N-H 0.899 128.252 8.762 1632838
?-?-? 0.901 113.064 7.110 374160
L79HD1-D80N-H 0.901 126.949 9.324 2956931
V19HG2-W64NE1-HE1 0.901 131.939 9.925 182190
V19HG1-G24N-H 0.912 108.086 8.596 633559
V19HG1-A119N-H 0.919 121.265 10.076 475704
?-?-? 0.925 111.456 7.860 488092 I45HD1-Q16NE2-Q16HE22/V46HG1-Q16NE2-Q16HE22(QU=0.487)
?-?-? 0.926 117.348 8.289 608346
?-?-? 0.926 111.468 6.789 540167 I45HD1-Q16NE2-Q16HE21/V46HG1-Q16NE2-Q16HE21(QU=0.609)
V19HG1-A120N-H 0.931 113.125 7.355 768535
V19HG1-N117N-H 0.932 119.263 7.579 855859
V19HG1-N117ND2-HD21 0.935 115.585 7.809 191394
V19HG1-N117ND2-HD22 0.938 115.480 6.670 256575
?-?-? 1.018 111.946 7.715 163551
?-?-? 1.022 113.946 7.615 292617
L138HD2-L129N-H 1.023 118.061 7.173 386636
?-?-? 1.026 121.000 8.689 297058
?-?-? 1.034 112.130 7.714 163551
L112HD1-N-H 1.041 119.216 7.466 293064
L112HD1-F103N-H 1.042 127.304 9.036 156492
L112HD1-N110ND2-HD21 1.042 113.473 7.988 499742
L138HD1-K130N-H 1.043 118.220 8.895 713585
L112HD1-N110ND2-HD22 1.043 113.477 7.647 417630
L112HD1-N104ND2-HD21 1.046 111.792 7.559 190741
L138HD1-N-H 1.048 120.924 7.789 649558
L112HD1-R113N-H 1.048 120.274 8.822 247745
?-?-? 1.050 118.855 7.535 414778
L138HD1-Y137N-H 1.050 117.300 8.125 396683
L138HD1-E132N-H 1.059 115.278 7.650 152430
?-?-? 1.065 112.908 7.155 161748
?-?-? 1.067 121.008 8.687 287947
?-?-? 1.072 112.720 7.838 153300
L138HD1-E135N-H 1.088 122.366 9.076 177245
?-?-? 4.805 111.495 9.571 301561
?-?-? 4.807 111.534 9.613 494517
S54HG-K55N-H 5.070 122.002 7.658 336604
?-?-? 5.076 115.546 7.367 417925 S54HG-D56N-D56H/D56HD2-D56N-D56H(QU=0.536)
S54HG-K57N-H 5.076 124.686 7.483 235144
?-?-? 5.083 111.524 9.611 198013
E38H-K37N-H 5.262 124.220 8.520 528533
?-?-? 5.262 112.776 7.912 172893
E38H-N-H 5.263 117.039 5.261 1835229
S47HG-K49N-H 6.016 121.024 7.852 181269
D35HD2-E32N-H 6.023 117.704 9.581 228821
D35HD2-W34N-H 6.023 123.138 7.648 330671
S118HG-A119N-H 6.023 121.216 10.076 160454
D35HD2-Y33N-H 6.030 108.510 8.869 276393
?-?-? 6.326 119.178 7.366 189180
?-?-? 6.331 112.777 7.911 284326
?-?-? 6.336 114.903 9.084 311196
?-?-? 6.566 123.197 8.984 276538
G100H-H101N-H 6.644 121.680 8.539 182262
G100H-L99N-H 6.645 119.471 7.725 1376023
G100H-N-H 6.646 103.785 6.645 1793751
G100H-V90N-H 6.647 120.740 8.091 670489
N117HD22-N-H 6.666 119.307 7.579 790045
?-?-? 6.669 115.324 6.671 271136
?-?-? 6.729 110.222 7.547 909887
H36H-W34N-H 6.731 123.113 7.649 187540
?-?-? 6.731 110.136 6.724 1116594
H36H-D35N-H 6.732 119.446 7.074 654200
H36H-N-H 6.732 121.387 6.730 805147
?-?-? 6.738 120.086 8.351 160924
?-?-? 6.740 117.667 8.845 180992
Q16HE21-V46N-H 6.764 119.864 8.858 366567
Q16HE21-NE2-HE22 6.782 111.520 7.860 800771
Q16HE21-NE2-HE21 6.788 111.412 6.790 1139293
?-?-? 6.839 113.687 7.373 1502932
N22H-Q21N-H 6.848 116.186 8.617 940754
N22H-T20N-H 6.848 104.380 7.715 236733
N22H-N-H 6.848 114.283 6.847 1809065
N22H-N23N-H 6.849 113.096 7.110 1122017
?-?-? 6.849 111.928 6.847 7379884
N22H-G24N-H 6.850 108.090 8.595 729088
Q30H-N31N-H 6.854 113.675 7.401 848693
Q30H-N-H 6.859 121.821 6.858 1270271
Q30H-F29N-H 6.861 114.349 8.172 359434
N104HD22-ND2-HD21 6.865 111.888 7.558 13080234
?-?-? 6.871 112.378 7.605 750012
?-?-? 6.889 111.771 6.891 11197269 N22HD22-N22ND2-N22HD22/N104HD22-N104ND2-N104HD22(QU=0.953)
N22HD22-ND2-HD21 6.895 111.761 8.112 4938431
?-?-? 6.895 112.990 7.677 7615194
?-?-? 6.895 112.965 6.893 8441345
L140H-F141N-H 6.909 114.047 7.611 1429652
L140H-N-H 6.911 118.983 6.910 2551700
?-?-? 6.991 112.378 7.601 1115241
?-?-? 6.994 112.757 7.607 2430657
N142HD22-ND2-HD22 7.011 112.286 7.013 5104688
N142HD22-ND2-HD21 7.016 112.110 7.717 3485817
N142HD22-ND2-HD22 7.026 112.130 7.017 4168999
D35H-N-H 7.075 119.453 7.075 1227824
D35H-H36N-H 7.075 121.406 6.731 630854
D35H-W34N-H 7.078 123.102 7.648 349625
N23H-G24N-H 7.113 108.088 8.596 1200092
N23H-N-H 7.114 113.097 7.111 1908082
N23H-N22N-H 7.116 114.469 6.848 1033688
N23H-Q21N-H 7.127 116.186 8.618 646386
?-?-? 7.157 112.822 7.839 1242607
K69H-N-H 7.162 113.392 7.162 1998861
K69H-T68N-H 7.165 113.728 10.033 703817
?-?-? 7.167 112.861 7.155 1657786
?-?-? 7.171 104.451 7.716 207024
L129H-H127N-H 7.172 112.969 8.281 471124
L129H-K128N-H 7.173 118.868 7.531 1893524
L129H-K126N-H 7.173 120.529 7.994 232061
L129H-N-H 7.173 118.088 7.174 2515760
L129H-K130N-H 7.173 118.240 8.894 860956
L129H-E131N-H 7.175 121.030 8.689 344182
?-?-? 7.193 113.593 10.106 365427
N13HD22-ND2-HD22 7.197 116.362 7.202 441755
?-?-? 7.204 116.601 8.341 220046 N13HD22-N13ND2-N13HD21/N13HD22-R14N-R14H(QU=0.625)
S47H-I45N-H 7.212 130.534 8.445 234802
S47H-K49N-H 7.214 121.039 7.853 414534
?-?-? 7.214 113.892 9.038 317578
S47H-N-H 7.216 108.145 7.217 711906
S47H-G48N-H 7.216 110.661 8.564 909926
?-?-? 7.217 119.879 8.834 613295 N13HD22-N13N-N13H/S47H-V46N-V46H(QU=0.994)
?-?-? 7.219 112.272 9.367 482833
?-?-? 7.221 122.078 7.661 168421
L12H-I9N-H 7.275 119.147 8.649 193010
L12H-K10N-H 7.284 118.805 7.588 532970
L12H-S11N-H 7.285 112.310 7.595 1441676
L12H-N-H 7.285 121.474 7.284 3662915
L12H-N13N-H 7.289 119.795 8.861 190844
?-?-? 7.302 121.904 6.856 291642
?-?-? 7.324 114.306 8.171 342295
M85H-G84N-H 7.343 105.074 8.658 942913
M85H-N-H 7.343 118.280 7.343 2879740
A120H-L121N-H 7.355 117.352 8.290 1441449
A120H-A119N-H 7.355 121.254 10.076 578326
D96H-S97N-H 7.364 112.764 7.909 403317
A120H-N-H 7.364 113.111 7.357 2338832
D96H-A95N-H 7.365 118.611 7.886 185442
D96H-N-H 7.365 119.069 7.363 1170545
D56H-K55N-H 7.370 121.993 7.659 488191
D96H-S92N-H 7.371 114.933 9.083 263717
?-?-? 7.372 113.810 6.839 1298081
D56H-S54N-H 7.374 113.909 9.037 274171
D56H-K57N-H 7.378 124.717 7.485 937659
D56H-N-H 7.381 115.589 7.367 1025044
N31H-Q30N-H 7.391 121.818 6.857 658088
N31H-N-H 7.392 113.643 7.396 3225455
N31H-W34NE1-HE1 7.403 131.166 10.003 282074
G133H-N-H 7.421 104.552 7.420 2086544
G133H-E132N-H 7.422 115.216 7.650 1372186
G133H-Y134N-H 7.422 118.866 8.615 1408565
?-?-? 7.422 122.321 9.074 603776
G133H-E131N-H 7.425 121.051 8.689 438383
I71H-N-H 7.462 119.640 7.460 6241498
L112H-G111N-H 7.466 107.891 7.847 650374
K57H-D56N-H 7.469 115.659 7.367 822573
L112H-N-H 7.471 119.189 7.466 4688081
G63H-N-H 7.477 104.773 7.479 332453
K57H-N-H 7.478 124.722 7.484 1718721
K57H-K55N-H 7.481 121.904 7.659 316452
G63H-W64N-H 7.495 120.736 7.755 321844
K128H-K126N-H 7.530 120.544 7.995 351298
K128H-H127N-H 7.533 112.954 8.281 694634
K128H-L129N-H 7.533 118.083 7.174 1546196
K128H-N-H 7.537 118.878 7.535 3736189
?-?-? 7.538 108.095 8.097 484020
?-?-? 7.540 114.270 7.553 249621
?-?-? 7.542 110.098 7.542 871980
?-?-? 7.546 104.945 7.543 156207
?-?-? 7.548 110.221 6.723 852140
K128H-K130N-H 7.550 118.190 8.894 413902
?-?-? 7.557 119.867 8.859 303526 K10H-N13N-N13H/S11H-N13N-N13H(QU=0.524)
?-?-? 7.558 111.948 6.846 7378096
N104HD21-ND2-HD22 7.560 111.833 6.887 6759936
N104HD21-ND2-HD21 7.560 111.881 7.559 15687208
E74H-E73N-H 7.565 115.911 8.818 1002052
E74H-V75N-H 7.566 117.460 7.750 621120
E74H-N-H 7.567 116.052 7.566 1384991
N117H-ND2-HD22 7.578 115.439 6.671 234044
N117H-N-H 7.584 119.380 7.581 2912362
K10H-N-H 7.588 118.919 7.585 4213248
?-?-? 7.591 118.146 7.925 325093
K10H-K8N-H 7.591 119.772 8.141 669840
K10H-I9N-H 7.593 119.182 8.648 1475174
?-?-? 7.594 117.412 8.287 186777
S11H-L12N-H 7.594 121.473 7.284 2006883
S11H-N-H 7.597 112.426 7.601 5185570
?-?-? 7.609 112.741 7.004 2143372
F141H-L140N-H 7.612 118.992 6.910 1302192
F141H-N-H 7.614 114.006 7.612 2614109
N142H-N-H 7.615 118.932 7.620 548398
W34H-N-H 7.647 123.086 7.648 773997
E132H-E131N-H 7.647 121.036 8.689 1371430
?-?-? 7.647 122.349 9.076 252539
N110HD22-ND2-HD21 7.647 113.496 7.988 1458362
W34H-Y33N-H 7.648 108.552 8.867 322094
E132H-N-H 7.648 115.227 7.650 2997641
E132H-Y134N-H 7.649 118.751 8.616 783155
E132H-G133N-H 7.650 104.563 7.420 1181448
K55H-G40N-H 7.651 112.262 9.366 180441
W34H-E32N-H 7.652 117.703 9.581 169756
W34H-D35N-H 7.652 119.441 7.073 265770
N110HD22-ND2-HD22 7.654 113.561 7.646 2323047
K55H-N-H 7.656 121.991 7.658 781550
K55H-D56N-H 7.656 115.522 7.366 663628
K55H-S54N-H 7.658 113.918 9.037 663960
K55H-K57N-H 7.658 124.747 7.485 400590
?-?-? 7.669 114.306 8.170 351929
?-?-? 7.670 121.828 6.858 369050
?-?-? 7.677 112.996 6.892 7407608
?-?-? 7.678 112.977 7.677 8616616
W34H-N31N-H 7.681 113.634 7.403 457649
?-?-? 7.682 106.212 7.784 655775
?-?-? 7.705 119.057 7.683 1019709
T20H-N23N-H 7.715 113.097 7.110 333462
T20H-N-H 7.716 104.391 7.715 786274
L99H-H98N-H 7.716 123.297 8.985 200820
T20H-N22N-H 7.717 114.510 6.848 489636
N142HD21-ND2-HD22 7.717 112.129 7.017 3323789
?-?-? 7.718 116.188 8.624 1038253 T20H-V19N-V19H/T20H-Q21N-Q21H(QU=0.756)
T20H-E18N-H 7.719 121.262 8.930 304329
N142HD21-ND2-HD21 7.719 112.114 7.718 3576582
?-?-? 7.727 120.758 8.091 412795
L99H-G100N-H 7.728 103.794 6.645 1375267
F52H-Y42N-H 7.730 118.398 8.963 880986
F52H-L51N-H 7.731 119.057 8.048 1676038
F52H-N-H 7.732 110.647 7.732 2373764
?-?-? 7.732 119.497 7.729 2515153 L99H-L99N-L99H/D105H-D105N-D105H(QU=0.330)
?-?-? 7.742 119.196 7.749 2317824 L99H-L99N-L99H/D105H-D105N-D105H(QU=0.985)
F52H-I71N-H 7.745 119.681 7.459 228762
V75H-N-H 7.751 117.471 7.752 886898
V75H-E76N-H 7.752 124.883 9.186 166097
V75H-E73N-H 7.755 115.910 8.817 532572
V75H-E74N-H 7.755 116.043 7.567 856374
W64H-G63N-H 7.756 104.826 7.480 202296
D105H-G106N-H 7.756 106.639 8.086 1049460
?-?-? 7.762 108.070 8.598 200121
W64H-N-H 7.763 120.766 7.750 807883
?-?-? 7.772 106.130 7.784 1126410
D105H-R113N-H 7.777 120.218 8.822 247168
L138H-N-H 7.788 120.914 7.787 2378183
L138H-Y137N-H 7.790 117.271 8.126 1451717
N117HD21-N-H 7.804 119.292 7.580 606039
T25H-E26N-H 7.805 128.281 8.765 271285
T25H-N-H 7.810 110.591 7.809 4921024
?-?-? 7.841 112.866 7.155 1102320
?-?-? 7.842 112.789 7.840 1392046
G111H-L112N-H 7.846 119.237 7.467 496717
G111H-N110N-H 7.847 113.969 8.375 243830
G111H-N-H 7.850 107.880 7.847 1325727
K49H-D44N-H 7.851 121.391 8.577 329004
Q16HE22-V46N-H 7.852 119.903 8.850 285844
K49H-G48N-H 7.853 110.660 8.564 791580
K49H-N-H 7.854 121.053 7.853 2077700
K49H-S47N-H 7.858 108.130 7.216 235257
Q16HE22-NE2-HE22 7.858 111.322 7.859 1079615
Q16HE22-NE2-HE21 7.859 111.527 6.788 767183
?-?-? 7.862 110.063 6.724 160690
?-?-? 7.863 110.185 7.545 186480
A95H-N-H 7.887 118.658 7.886 214837
?-?-? 7.899 119.208 7.365 807749 A95H-D96N-D96H/S97H-D96N-D96H(QU=0.782)
F123H-N-H 7.903 125.352 7.902 3864625
S97H-S92N-H 7.907 114.918 9.083 790718
S97H-N-H 7.908 112.783 7.910 837921
E7H-E6N-H 7.926 117.560 8.283 1080213
E7H-K8N-H 7.928 119.768 8.141 1359400
E7H-N-H 7.929 118.136 7.925 2315155
E7H-I9N-H 7.930 119.168 8.649 456264
N110HD21-ND2-HD22 7.988 113.459 7.648 1279351
N110HD21-ND2-HD21 7.989 113.423 7.988 1653380
K126H-N-H 7.995 120.524 7.994 6173444
K126H-H127N-H 7.995 112.944 8.280 639226
L41H-G40N-H 8.003 112.266 9.364 292881
K126H-L129N-H 8.005 118.095 7.172 155832
L41H-N-H 8.006 118.121 8.005 4995808
L41H-V124N-H 8.006 130.849 8.509 1712217
?-?-? 8.038 118.390 8.962 728505 L41H-Y42N-Y42H/L51H-Y42N-Y42H(QU=0.935)
L51H-F52N-H 8.049 110.659 7.732 1675216
L51H-D44N-H 8.053 121.421 8.574 202429
S60H-N-H 8.053 117.386 8.053 1136018
L51H-N-H 8.054 119.034 8.049 2394851
G106H-N-H 8.087 106.607 8.086 1770434
G106H-D105N-H 8.088 119.222 7.747 1168422
?-?-? 8.089 118.882 7.539 520006
G106H-R113N-H 8.089 120.226 8.827 217387
V90H-R91N-H 8.092 124.236 8.992 157207
V90H-E89N-H 8.093 129.268 9.402 159273
V90H-N-H 8.094 120.751 8.091 3021598
V90H-G100N-H 8.096 103.790 6.646 641017
?-?-? 8.096 120.766 7.750 181568
?-?-? 8.097 108.154 8.095 718234
?-?-? 8.098 118.657 8.766 247223
N22HD21-ND2-HD21 8.113 111.707 8.112 5676423
N22HD21-ND2-HD22 8.113 111.775 6.894 5254056
I86H-R87N-H 8.117 125.482 8.766 236432
I86H-N-H 8.118 119.063 8.117 9715457
?-?-? 8.118 113.322 6.892 154711
I86H-M85N-H 8.124 118.282 7.344 173673
Y137H-N-H 8.125 117.275 8.126 2321278
Y137H-L138N-H 8.125 120.922 7.789 1511682
K8H-E6N-H 8.130 117.509 8.285 375269
K8H-K10N-H 8.140 118.790 7.586 399974
K8H-E7N-H 8.144 118.162 7.925 1147554
K8H-I9N-H 8.145 119.189 8.649 1054553
K8H-N-H 8.148 119.795 8.139 2714503
F29H-Q30N-H 8.166 121.821 6.858 435987
F29H-N-H 8.169 114.332 8.171 664311
F29H-N31N-H 8.183 113.554 7.402 184470
V102H-E89N-H 8.234 129.500 9.393 219082
E72H-I71N-H 8.235 119.768 7.458 517914
V102H-N-H 8.236 118.042 8.234 3508272
E72H-E73N-H 8.237 115.890 8.817 615849
V102H-H101N-H 8.237 121.642 8.540 195749
V102H-T88N-H 8.238 119.324 9.454 583492
E72H-N-H 8.239 126.009 8.237 1020060
E6H-K8N-H 8.267 119.728 8.140 537705
H127H-N-H 8.282 112.937 8.280 801834
E6H-E7N-H 8.283 118.140 7.925 1201269
H127H-K128N-H 8.283 118.857 7.532 589692
S66H-N-H 8.284 119.069 8.281 749548
E6H-K5N-H 8.285 126.357 8.496 472093
H127H-K126N-H 8.285 120.534 7.994 763537
H127H-L129N-H 8.286 118.112 7.174 371894
?-?-? 8.287 117.441 8.286 5196692 E6H-E6N-E6H/L121H-L121N-L121H(QU=0.972)
E6H-I9N-H 8.287 119.208 8.650 168519
L121H-A120N-H 8.290 113.148 7.356 1644290
L121H-A119N-H 8.292 121.230 10.076 359456
?-?-? 8.336 116.638 8.332 3981405 N13HD21-N13ND2-N13HD21/R14H-R14N-R14H(QU=0.997)
?-?-? 8.339 116.183 8.621 236242
?-?-? 8.341 116.397 7.199 222250 N13HD21-N13ND2-N13HD22/R14H-N13ND2-N13HD22(QU=0.673)
M15H-E18N-H 8.343 121.344 8.935 247504
M15H-N-H 8.346 120.102 8.350 3130642
M15H-Q16N-H 8.346 117.725 8.839 1229871
M15H-Y17N-H 8.346 122.693 9.163 599192
?-?-? 8.355 119.779 8.857 347599 N13HD21-N13N-N13H/R14H-N13N-N13H(QU=0.692)
N110H-G111N-H 8.381 107.881 7.849 303124
?-?-? 8.391 123.624 8.394 2220138
E145H-N-H 8.403 121.996 8.401 2978224
S82H-N-H 8.414 118.442 8.417 249423
?-?-? 8.420 118.729 8.940 457452 I45H-R122N-R122H/S82H-T81N-T81H(QU=0.814)
?-?-? 8.440 122.168 8.445 4423298 E77H-E77N-E77H/K143H-K143N-K143H(QU=0.998)
I45H-N-H 8.451 130.572 8.445 2175280
I45H-V46N-H 8.457 119.887 8.834 490021
?-?-? 8.460 122.408 8.458 8535201 E77H-E77N-E77H/K143H-K143N-K143H(QU=0.528)
E77H-K78N-H 8.460 121.943 8.977 271617
K5H-E6N-H 8.493 117.546 8.285 539674
K5H-N-H 8.498 126.281 8.492 296735
K5H-E7N-H 8.501 118.136 7.925 214233
V124H-L41N-H 8.509 118.126 8.005 1782890
V124H-N-H 8.509 130.850 8.508 4901254
K37H-E38N-H 8.527 117.038 5.260 665874
V124H-V43N-H 8.530 118.489 9.182 170575
K37H-N-H 8.531 124.233 8.520 398550
G108H-N-H 8.532 109.384 8.528 2381904
G48H-V46N-H 8.535 119.875 8.833 467080
H101H-N-H 8.545 121.571 8.542 3375196
?-?-? 8.546 129.699 9.387 994602 H101H-C115N-C115H/I116H-C115N-C115H(QU=0.631)
G48H-S47N-H 8.565 108.147 7.216 580566
G48H-N-H 8.566 110.652 8.564 1789035
?-?-? 8.567 107.234 8.568 609126
?-?-? 8.570 121.060 7.853 1281455 D44H-K49N-K49H/G48H-K49N-K49H(QU=0.950)
D44H-N-H 8.578 121.438 8.576 3851627
F67H-N-H 8.581 117.742 8.579 1063924
F67H-Y114N-H 8.581 128.158 10.085 509468
D44H-L51N-H 8.583 119.080 8.050 222693
I116H-N-H 8.583 129.818 8.580 2803704
G24H-N-H 8.600 108.063 8.596 3350464
L79H-K78N-H 8.600 121.850 8.975 298633
L79H-N-H 8.600 125.403 8.599 8702296
?-?-? 8.606 113.109 7.111 1745758 Q21H-N23N-N23H/G24H-N23N-N23H(QU=0.944)
?-?-? 8.609 120.527 7.995 154265
?-?-? 8.613 114.487 6.848 1642148 Q21H-N22N-N22H/G24H-N22N-N22H(QU=0.511)
G24H-T25N-H 8.618 110.578 7.809 165982
E39H-N-H 8.618 119.471 8.615 10143527
Y134H-E135N-H 8.619 122.341 9.074 1229452
?-?-? 8.626 104.403 7.714 893511 V19H-T20N-T20H/Q21H-T20N-T20H(QU=0.789)
Y134H-G133N-H 8.627 104.566 7.421 1578177
Y134H-N-H 8.629 118.751 8.616 3636711
?-?-? 8.631 116.163 8.617 2903484 V19H-V19N-V19H/Q21H-Q21N-Q21H(QU=0.968)
V19H-E18N-H 8.634 121.349 8.936 1259262
V19H-Y17N-H 8.635 122.662 9.164 516415
V19H-Q16N-H 8.636 117.809 8.838 151537
I9H-L12N-H 8.642 121.533 7.285 173446
?-?-? 8.650 116.233 8.637 2992691 V19H-V19N-V19H/Q21H-Q21N-Q21H(QU=0.487)
I9H-E7N-H 8.651 118.134 7.926 491759
I9H-S11N-H 8.651 112.342 7.595 282591
I9H-K8N-H 8.652 119.780 8.141 1283642
I9H-K10N-H 8.652 118.790 7.586 1044865
?-?-? 8.656 117.870 8.657 540953
I9H-N-H 8.658 119.208 8.650 2665429
G84H-N-H 8.659 105.075 8.658 1540815
G84H-M85N-H 8.660 118.291 7.343 1062971
I9H-E6N-H 8.662 117.637 8.288 208713
E131H-E132N-H 8.674 115.204 7.649 1764921
E131H-G133N-H 8.686 104.571 7.422 1142820
E131H-L129N-H 8.687 118.092 7.175 227070
E131H-K130N-H 8.687 118.230 8.895 950127
E131H-N-H 8.687 121.032 8.689 2963180
R93H-N-H 8.713 123.413 8.710 630080
D59H-N-H 8.734 121.037 8.735 289397
?-?-? 8.750 118.609 8.765 187171
E26H-T25N-H 8.754 110.541 7.808 206344
E26H-N-H 8.761 128.246 8.762 2956729
?-?-? 8.762 108.107 8.097 262704
E26H-W64NE1-HE1 8.764 131.823 9.923 455593
R87H-I86N-H 8.767 119.084 8.118 275425
R87H-N-H 8.769 125.502 8.769 2930924
R87H-D80N-H 8.770 126.956 9.325 761341
E73H-E74N-H 8.817 116.048 7.567 553046
E73H-E72N-H 8.820 125.993 8.234 190216
E73H-N-H 8.820 115.892 8.818 2436946
E73H-V75N-H 8.822 117.411 7.748 236301
R113H-F103N-H 8.826 127.290 9.039 814735
V46H-S47N-H 8.836 108.133 7.217 475602
?-?-? 8.836 106.628 8.087 403058 N104H-G106N-G106H/R113H-G106N-G106H(QU=0.901)
N104H-D105N-H 8.837 119.200 7.752 498479
V46H-G48N-H 8.839 110.663 8.563 518866
?-?-? 8.844 120.973 7.854 229754
?-?-? 8.844 119.879 8.833 4161306 N13H-N13N-N13H/V46H-V46N-V46H(QU=0.984)
Q16H-M15N-H 8.846 120.115 8.350 1523422
Q16H-N-H 8.848 117.746 8.840 1835052
V46H-I45N-H 8.848 130.568 8.444 611738
N13H-R14N-H 8.849 116.648 8.331 563144
?-?-? 8.854 119.880 8.855 5972624 N13H-N13N-N13H/V46H-V46N-V46H(QU=0.651)
?-?-? 8.855 110.148 6.723 159677
Y33H-E32N-H 8.869 117.639 9.576 290279
N104H-N-H 8.870 120.504 8.860 1230698
Y33H-W34N-H 8.872 123.128 7.647 391187
Y33H-N-H 8.873 108.529 8.866 415916
?-?-? 8.890 118.246 8.898 3027887 R122H-R122N-R122H/K130H-K130N-K130H(QU=0.996)
K130H-G133N-H 8.894 104.578 7.420 192850
?-?-? 8.895 122.687 9.163 1522332
K130H-K128N-H 8.895 118.882 7.532 450714
K130H-L129N-H 8.896 118.078 7.174 727566
K130H-E132N-H 8.896 115.178 7.650 628118
K130H-E131N-H 8.897 121.032 8.688 1439062
K130H-Y134N-H 8.909 118.801 8.616 196778
R122H-D44N-H 8.911 121.355 8.580 205515
?-?-? 8.921 119.017 7.680 342775
R122H-F123N-H 8.922 125.368 7.902 220451
?-?-? 8.924 118.499 8.923 4815372 T81H-T81N-T81H/R122H-R122N-R122H/K130H-K130N-K130H(QU=0.207)
?-?-? 8.924 106.163 7.784 257971
R122H-V43N-H 8.926 118.531 9.182 1062255
E18H-N-H 8.932 121.267 8.930 3175949
E18H-V19N-H 8.936 116.243 8.636 848425
E18H-T20N-H 8.936 104.413 7.713 166013
Y42H-V124N-H 8.943 130.799 8.506 177352
?-?-? 8.945 118.444 8.413 328447 T81H-S82N-S82H/H83H-S82N-S82H(QU=0.729)
?-?-? 8.945 118.776 8.940 2833646 T81H-T81N-T81H/R122H-R122N-R122H(QU=0.351)
?-?-? 8.949 120.801 8.911 1754386
H83H-M85N-H 8.956 118.322 7.350 154339
T81H-D80N-H 8.962 127.030 9.325 184414
Y42H-N-H 8.963 118.425 8.960 4862408
Y42H-L41N-H 8.964 118.201 8.005 221698
Y42H-L51N-H 8.964 119.038 8.049 516823
Y42H-F52N-H 8.964 110.653 7.732 810503
H83H-G84N-H 8.965 105.068 8.658 181863
?-?-? 8.965 127.174 8.974 1479368
K78H-N-H 8.978 121.963 8.976 4275573
K78H-L79N-H 8.981 125.389 8.603 282809
K78H-E89N-H 8.981 129.304 9.403 1189921
H98H-N-H 8.983 123.361 8.982 3620008
R91H-V90N-H 8.987 120.858 8.091 246038
K78H-E77N-H 8.988 122.418 8.460 295607
R91H-E76N-H 8.991 124.870 9.181 1477995
R91H-N-H 8.997 124.315 8.991 3477944
F103H-V102N-H 9.004 118.047 8.234 203618
H98H-L99N-H 9.017 119.338 7.738 247518
S54H-D56N-H 9.031 115.575 7.368 247996
S54H-G40N-H 9.034 112.269 9.365 488748
S54H-N-H 9.036 113.901 9.036 1975630
S54H-K55N-H 9.039 122.017 7.656 464935
F103H-N-H 9.040 127.288 9.039 2143923
F103H-R113N-H 9.043 120.218 8.822 1003422
E135H-Y134N-H 9.075 118.871 8.615 1125321
E135H-N-H 9.075 122.340 9.074 2888706
E135H-G133N-H 9.076 104.553 7.421 515224
?-?-? 9.082 115.201 7.649 231482
S92H-S97N-H 9.084 112.754 7.911 630681
S92H-N-H 9.085 114.910 9.083 2439858
S92H-D96N-H 9.085 119.173 7.365 306550
Y17H-V19N-H 9.158 116.260 8.635 286583
?-?-? 9.162 119.784 8.857 239995
Y17H-M15N-H 9.163 120.099 8.349 514660
Y17H-N-H 9.163 122.689 9.163 1981271
Y17H-Q16N-H 9.164 117.752 8.841 756546
Y17H-E18N-H 9.164 121.337 8.935 1090805
Y17H-R14N-H 9.171 116.637 8.334 172575
V43H-D44N-H 9.183 121.441 8.577 172109
E76H-E77N-H 9.183 122.353 8.458 285836
E76H-N-H 9.184 124.861 9.181 3981060
V43H-N-H 9.185 118.537 9.182 1408296
V43H-R122N-H 9.185 118.504 8.920 1469314
E76H-R91N-H 9.185 124.279 8.992 1768861
V43H-V124N-H 9.186 130.883 8.509 182791
D80H-R87N-H 9.327 125.492 8.769 984307
D80H-N-H 9.328 126.949 9.324 3723332
D80H-L79N-H 9.349 125.397 8.597 274566
G40H-N-H 9.366 112.276 9.365 1966496
G40H-S54N-H 9.366 113.902 9.036 562090
C115H-H101N-H 9.390 121.578 8.538 681647
C115H-I116N-H 9.390 129.763 8.584 171383
?-?-? 9.397 129.475 9.397 5059549 E89H-E89N-E89H/C115H-C115N-C115H(QU=0.746)
E89H-K78N-H 9.402 121.951 8.977 1508486
T88H-V102N-H 9.442 118.081 8.235 306768
T88H-R87N-H 9.451 125.387 8.770 190871
T88H-N-H 9.452 119.353 9.453 4497092
?-?-? 9.573 111.496 9.568 452638
E32H-Y33N-H 9.576 108.521 8.867 264002
E32H-N-H 9.578 117.661 9.579 1768817
E32H-W34N-H 9.584 123.127 7.645 152539
T53H-N-H 9.616 111.551 9.613 808606
W64HE1-E26N-H 9.920 128.281 8.760 228867
W64HE1-NE1-HE1 9.923 131.827 9.922 1983816
W34HE1-N31N-H 10.005 113.642 7.403 665496
W34HE1-NE1-HE1 10.005 131.180 10.003 3590371
T68H-N-H 10.036 113.723 10.032 1071680
T68H-K69N-H 10.037 113.591 7.164 876407
?-?-? 10.058 117.918 8.660 275492
Y114H-N-H 10.073 128.340 10.056 1070601
A119H-A120N-H 10.077 113.091 7.354 522481
A119H-N-H 10.080 121.257 10.077 1420345
Y114H-N-H 10.081 128.197 10.083 1573376
A119H-L121N-H 10.083 117.395 8.291 281950
Y114H-F67N-H 10.085 117.709 8.579 675496
?-?-? 10.091 114.005 7.189 532862
?-?-? 10.104 113.596 10.104 581484
S118H-A119N-H 13.132 121.249 10.075 614091
S118H-A120N-H 13.136 113.109 7.354 162242
;
save_
save_CNH_noesy
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D (C13)HSQC-NOESY-(N15)HSQC'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 H 'all H'
2 N all
3 C methyl
stop_
_Sample_label $SR10.026
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
Assignment w1 w2 w3 Data Height Note
?-?-? 13.807 117.450 8.285 975306
?-?-? 21.438 119.760 8.142 2463028
?-?-? 25.979 119.227 8.653 912774
?-?-? 22.784 119.191 8.652 952483
?-?-? 25.994 118.799 7.588 1021394
?-?-? 21.478 118.752 7.588 1989699
?-?-? 26.007 112.196 7.598 1522835
?-?-? 21.559 112.209 7.598 3121367
?-?-? 22.820 121.398 7.288 922391
?-?-? 21.581 121.399 7.286 9011024
?-?-? 22.673 122.611 9.165 2407762
?-?-? 22.645 121.268 8.939 5796496
?-?-? 20.654 121.273 8.938 1842494
?-?-? 22.673 114.479 6.850 1710301
?-?-? 22.643 113.054 7.113 1268658
?-?-? 22.643 110.553 7.812 5751603
?-?-? 24.188 112.198 9.369 1097902
?-?-? 22.391 118.083 8.007 12775391
?-?-? 20.919 118.081 8.007 4494255
?-?-? 20.050 118.080 8.008 6594566
?-?-? 18.242 118.127 8.007 1136087
?-?-? 24.923 118.360 8.964 5901948
?-?-? 22.708 118.383 8.959 1627060
?-?-? 20.975 118.335 8.960 913893
?-?-? 13.222 118.347 8.964 2588661
?-?-? 22.817 121.380 8.574 2676482 V46CG2 D44N D44H V46HG2/L121CD2 D44N D44H L121HD2(QU=0.998)
?-?-? 27.243 130.484 8.447 1868869
?-?-? 23.630 130.446 8.447 1248217
?-?-? 21.482 130.462 8.448 2028416 L12CD2 I45N I45H L12HD2/V46CG1 I45N I45H V46HG1(QU=0.987)
?-?-? 21.429 110.620 8.565 2772668
?-?-? 21.438 120.989 7.854 1150916
?-?-? 24.900 119.040 8.050 1883756
?-?-? 22.790 119.025 8.049 1897739
?-?-? 24.892 110.604 7.736 1739663
?-?-? 22.777 110.608 7.732 1769117
?-?-? 24.882 113.851 9.039 981019
?-?-? 27.222 119.714 7.460 1312246
?-?-? 22.898 119.686 7.461 952288
?-?-? 20.965 122.345 8.460 1650557
?-?-? 23.503 121.913 8.980 1428405
?-?-? 20.876 121.890 8.979 1933849
?-?-? 19.074 121.901 8.982 1220338
?-?-? 25.136 125.349 8.602 5629816
?-?-? 23.505 125.350 8.602 8081954
?-?-? 25.133 126.870 9.327 5785724
?-?-? 27.225 118.449 8.925 1235117
?-?-? 20.014 118.480 8.924 7409030
?-?-? 23.528 119.038 8.117 1502652
?-?-? 20.900 119.299 9.454 1121778
?-?-? 19.105 119.344 9.456 3109244
?-?-? 25.117 129.276 9.407 901998
?-?-? 23.516 129.275 9.407 3032184
?-?-? 20.856 129.639 9.391 4252024
?-?-? 23.602 124.239 8.991 1504513
?-?-? 22.927 124.258 8.994 10067148
?-?-? 21.520 124.260 8.994 6405276
?-?-? 20.873 124.252 8.993 6874776
?-?-? 23.627 114.888 9.085 5400410
?-?-? 22.865 114.861 9.083 1707552
?-?-? 21.548 114.871 9.085 1303461
?-?-? 20.965 114.903 9.082 1172866
?-?-? 23.638 119.257 7.367 1208582
?-?-? 27.265 112.704 7.909 1416427
?-?-? 23.623 112.688 7.912 2204059
?-?-? 20.673 123.145 8.982 1001591
?-?-? 22.920 119.442 7.730 3254802
?-?-? 21.478 119.274 7.742 1312585
?-?-? 20.839 119.459 7.729 5621951
?-?-? 22.907 103.734 6.648 4245638
?-?-? 22.897 121.490 8.543 2603886
?-?-? 21.448 121.425 8.545 1269664
?-?-? 20.844 118.006 8.236 8186617
?-?-? 26.002 127.251 9.041 901420
?-?-? 21.493 106.574 8.089 1011320
?-?-? 25.872 118.852 7.540 1585070
?-?-? 25.044 118.852 7.535 1634732
?-?-? 24.519 118.886 7.535 1905351
?-?-? 22.405 118.851 7.537 5999894
?-?-? 22.412 120.768 8.909 2408206
?-?-? 21.339 120.766 8.914 4317654
?-?-? 18.949 120.784 8.915 1659845
?-?-? 21.478 128.167 10.086 1986471
?-?-? 20.797 129.782 8.583 1042445
?-?-? 20.650 119.306 7.582 5605446
?-?-? 22.662 121.180 10.077 2675013
?-?-? 14.975 113.128 7.362 918213
?-?-? 20.641 117.254 8.292 1953904
?-?-? 20.911 118.221 8.904 1428326
?-?-? 24.888 130.724 8.514 1758838
?-?-? 24.214 130.732 8.513 1932909
?-?-? 18.180 130.738 8.511 3174940
?-?-? 24.482 120.448 7.995 1186027
?-?-? 22.413 120.461 7.997 2129775
?-?-? 20.925 120.476 7.995 1346750
?-?-? 22.347 112.903 8.281 919413
?-?-? 24.494 118.051 7.176 3541852
?-?-? 20.055 118.029 7.176 1284521
?-?-? 25.106 120.924 8.690 2012166
?-?-? 24.475 120.933 8.691 2093788
?-?-? 25.053 115.187 7.651 1030842
?-?-? 20.934 118.799 8.619 945771
?-?-? 26.430 117.192 8.126 2042471
?-?-? 25.057 117.188 8.128 3597127 L41CD1 Y137N Y137H L41HD1/L138CD1 Y137N Y137H L138HD1(QU=0.995)
?-?-? 24.505 117.175 8.128 3127045
?-?-? 25.060 119.008 6.912 1081853 L41CD1 L140N L140H L41HD1/L138CD1 L140N L140H L138HD1(QU=0.794)
?-?-? 24.473 118.994 6.914 1489252
?-?-? 25.098 114.066 7.614 1038792 L41CD1 F141N F141H L41HD1/L138CD1 F141N F141H L138HD1(QU=0.316)
?-?-? 24.509 114.071 7.613 1684624
?-?-? 22.358 114.067 7.615 3432382
?-?-? 14.926 111.272 6.793 2617024
?-?-? 22.828 116.122 7.199 1141675
?-?-? 14.933 111.277 7.865 2600943
?-?-? 22.646 131.700 9.924 1211386
?-?-? 22.453 119.057 7.679 1014070
?-?-? 22.434 127.150 8.981 1096238
?-?-? 21.354 127.133 8.978 5705894
?-?-? 18.971 127.115 8.978 2470066
?-?-? 20.647 115.193 6.676 910842
?-?-? 22.937 129.613 9.396 1867448 V90CG1 E89N E89H V90HG1/V90CG1 C115N C115H V90HG1(QU=0.247)
?-?-? 21.493 115.834 8.824 1082416
?-?-? 21.463 119.720 7.462 3429516
?-?-? 21.374 103.700 6.644 1151746
?-?-? 21.315 128.393 10.048 1108397
?-?-? 26.002 119.838 8.854 2268141 L12CD1 N13N N13H L12HD1/L12CD1 V46N V46H L12HD1(QU=0.839)
?-?-? 22.439 118.395 8.959 1624796
?-?-? 24.047 121.395 8.576 918890
?-?-? 19.855 118.492 8.924 7931684
I9CD1-K8N-H 13.819 119.787 8.144 1456239
I9CD1-N-H 13.821 119.177 8.652 3424610
I9CD1-K10N-H 13.864 118.775 7.590 1595315
L12CD1-N-H 25.999 121.398 7.286 4049790
L12CD1-Q16N-H 26.023 117.631 8.842 972502
L12CD2-I9N-H 21.444 119.202 8.652 3510526
V19CG1-N-H 20.629 116.167 8.638 6556864
V19CG1-T20N-H 20.629 104.447 7.718 3282992
V19CG1-N22N-H 20.633 114.462 6.852 1260667
V19CG1-N23N-H 20.642 113.083 7.116 1316499
V19CG1-G24N-H 20.619 107.973 8.598 2717455
V19CG1-T25N-H 20.633 110.556 7.811 1718359
V19CG1-E26N-H 20.622 128.237 8.765 3799045
V19CG1-A119N-H 20.626 121.180 10.081 1908812
V19CG1-A120N-H 20.625 113.064 7.359 3581915
V19CG2-N-H 22.644 116.184 8.640 16184161
V19CG2-T20N-H 22.673 104.441 7.717 4040264
V19CG2-G24N-H 22.650 107.990 8.599 3270289
V19CG2-E26N-H 22.640 128.247 8.765 10592706
L41CD1-N-H 24.884 118.084 8.008 4903611
L41CD2-N-H 24.225 118.089 8.007 4927520
L41CD2-Y42N-H 24.182 118.359 8.966 8607658
L41CD2-L51N-H 24.167 119.047 8.049 2643604
L41CD2-F52N-H 24.177 110.606 7.734 3214856
L41CD2-S54N-H 24.191 113.875 9.038 3304596
V43CG1-N-H 19.926 118.512 9.185 10931557
V43CG1-D44N-H 19.921 121.376 8.581 3675690
V43CG1-K49N-H 20.044 120.995 7.855 962434
V43CG1-L51N-H 19.890 119.038 8.049 3365757
V43CG1-F52N-H 19.882 110.606 7.734 2428637
V43CG2-N-H 18.191 118.512 9.185 9775877
V43CG2-D44N-H 18.197 121.368 8.582 3657242
V43CG2-I45N-H 18.158 130.472 8.451 1367421
V43CG2-G48N-H 18.191 110.607 8.564 1578521
V43CG2-K49N-H 18.211 120.975 7.854 1036233
V43CG2-L51N-H 18.226 119.038 8.049 1166878
V43CG2-R122N-H 18.191 118.496 8.923 10668321
V43CG2-F123N-H 18.190 125.321 7.906 1054551
I45CD1-N-H 14.923 130.453 8.446 1515280
I45CD1-V46N-H 14.933 119.809 8.858 2174098
I45CD1-L121N-H 14.937 117.241 8.292 1677628
I45CD1-R122N-H 14.911 118.496 8.922 1668046
V46CG1-Q16N-H 21.599 117.668 8.843 956724
V46CG1-Y17N-H 21.592 122.621 9.164 2136567
V46CG1-N-H 21.524 119.888 8.846 10083936
V46CG1-S47N-H 21.423 108.028 7.220 3128672
V46CG2-N13ND2-HD21 22.803 116.188 8.345 1011163
V46CG2-I45N-H 22.808 130.467 8.446 4811593
V46CG2-N-H 22.825 119.856 8.837 6091534
V46CG2-S47N-H 22.823 108.031 7.221 2367296
V46CG2-G48N-H 22.829 110.595 8.565 2319124
V46CG2-K49N-H 22.849 120.990 7.857 972135
V46CG2-H98N-H 22.788 123.125 8.983 925985
L51CD1-D44N-H 27.233 121.369 8.581 5377283
L51CD1-K49N-H 27.259 121.002 7.854 887930
L51CD1-N-H 27.231 119.028 8.050 2399432
L51CD1-F52N-H 27.235 110.612 7.735 1890552
L51CD2-D44N-H 23.633 121.371 8.580 4171016
L51CD2-K49N-H 23.661 120.978 7.858 1076298
L51CD2-N-H 23.632 119.023 8.050 2482841
L51CD2-F52N-H 23.670 110.602 7.735 2030015
L51CD2-I71N-H 23.635 119.716 7.462 1443391
I71CD1-L51N-H 13.218 119.042 8.050 3802027
I71CD1-F52N-H 13.227 110.616 7.733 4209754
I71CD1-T53N-H 13.177 111.465 9.613 1043596
I71CD1-N-H 13.235 119.706 7.461 4263331
V75CG1-E74N-H 21.523 115.998 7.570 1413237
V75CG1-N-H 21.508 117.368 7.748 1908018
V75CG1-E76N-H 21.515 124.837 9.184 9107183
V75CG1-E77N-H 21.532 122.308 8.461 1559899
V75CG2-I71N-H 21.043 119.711 7.461 6024796
V75CG2-E73N-H 21.066 115.841 8.821 1907017
V75CG2-E74N-H 21.067 115.972 7.571 3045359
V75CG2-N-H 21.027 117.335 7.752 3811566
V75CG2-E76N-H 20.977 124.831 9.184 6178777
L79CD1-D80N-H 23.506 126.872 9.326 27260094
L79CD1-R87N-H 23.507 125.425 8.771 10361038
L79CD2-R87N-H 25.127 125.462 8.770 2210187
I86CD1-D80N-H 12.550 126.846 9.326 939257
I86CD1-N-H 12.525 119.031 8.120 6204304
I86CD1-R87N-H 12.535 125.447 8.770 1606269
V90CG1-E76N-H 22.925 124.852 9.184 5732592
V90CG1-E77N-H 22.891 122.339 8.461 1700458
V90CG1-K78N-H 22.924 121.892 8.980 2254020
V90CG1-E89N-H 22.934 129.368 9.403 1550829
V90CG1-N-H 22.925 120.697 8.094 8230484
V90CG1-V102N-H 22.908 118.026 8.237 3922085
V90CG2-N-H 20.841 120.694 8.094 19606392
V90CG2-G100N-H 20.837 103.732 6.648 8802775
V90CG2-H101N-H 20.837 121.513 8.540 7179632
L99CD1-E76N-H 27.259 124.848 9.183 2477741
L99CD1-V90N-H 27.260 120.629 8.093 1218384
L99CD1-R91N-H 27.275 124.262 8.994 2861881
L99CD1-S92N-H 27.259 114.886 9.084 4857700
L99CD1-N-H 27.274 119.478 7.728 2663092
L99CD1-G100N-H 27.268 103.720 6.646 2011605
L99CD2-E76N-H 23.625 124.815 9.185 1429310
L99CD2-H98N-H 23.590 123.108 8.984 1353462
L99CD2-N-H 23.622 119.456 7.729 3012296
L99CD2-G100N-H 23.632 103.745 6.647 1801992
V102CG1-V90N-H 19.095 120.695 8.094 1968892
V102CG1-H101N-H 19.135 121.432 8.548 1150370
V102CG1-N-H 19.103 118.015 8.236 21389776
V102CG1-F103N-H 19.162 127.224 9.040 4480057
V102CG1-R113N-H 19.169 120.174 8.824 2758702
V102CG1-C115N-H 19.103 129.556 9.393 1898468
V102CG2-K78N-H 21.565 121.897 8.979 1319955
V102CG2-T88N-H 21.453 119.322 9.457 1306373
V102CG2-E89N-H 21.429 129.635 9.391 2789758
V102CG2-V90N-H 21.404 120.703 8.088 2281162
V102CG2-N-H 21.431 118.013 8.235 8374746
V102CG2-F103N-H 21.464 127.226 9.040 11633559
L112CD1-N110ND2-HD21 25.948 113.363 7.991 1417018
L112CD1-N110ND2-HD22 25.951 113.475 7.650 1084634
L112CD1-N-H 25.963 119.186 7.470 1569578
L112CD2-V102N-H 22.283 118.003 8.235 1251140
L112CD2-F103N-H 22.274 127.235 9.041 2328690
L112CD2-N104ND2-HD21 22.311 111.717 7.565 3509061
L112CD2-N104ND2-HD22 22.317 111.711 6.892 3153660
L112CD2-D105N-H 22.273 119.187 7.749 1307172
L112CD2-G106N-H 22.258 106.569 8.088 1310412
L112CD2-G111N-H 22.244 107.738 7.849 995666
L112CD2-N-H 22.273 119.167 7.470 3476070
L112CD2-R113N-H 22.272 120.200 8.824 4385196
I116CD1-V90N-H 9.433 120.686 8.096 1874801
I116CD1-L99N-H 9.473 119.477 7.731 1061294
I116CD1-G100N-H 9.432 103.729 6.647 1926668
I116CD1-H101N-H 9.439 121.525 8.539 4799218
I116CD1-C115N-H 9.450 129.685 9.389 4585102
I116CD1-N-H 9.450 129.770 8.583 3083753
I116CD1-N117N-H 9.446 119.293 7.583 1497301
L121CD1-V43N-H 24.213 118.512 9.182 1547556
L121CD1-I116N-H 24.136 129.842 8.582 902477
L121CD1-N117N-H 24.194 119.323 7.583 1020574
L121CD1-A120N-H 24.183 113.062 7.359 1922746
L121CD1-N-H 24.187 117.224 8.293 2933349
L121CD2-V43N-H 22.789 118.522 9.184 1767219
L121CD2-N117N-H 22.687 119.292 7.582 2701380
L121CD2-A120N-H 22.740 113.058 7.358 3910259
L121CD2-N-H 22.775 117.248 8.292 4552318
L121CD2-R122N-H 22.782 118.505 8.922 4677642
V124CG1-N-H 20.909 130.730 8.511 5652294
V124CG1-K128N-H 20.925 118.843 7.534 3810155
V124CG1-L129N-H 20.926 118.036 7.177 3957224
V124CG1-E131N-H 20.929 120.977 8.689 1011084
V124CG1-E132N-H 20.923 115.171 7.653 1714254
V124CG2-F123N-H 20.025 125.318 7.904 1941685
V124CG2-N-H 20.055 130.729 8.511 17036786
L129CD1-L41N-H 26.440 118.086 8.007 5533208
L129CD1-V124N-H 26.450 130.729 8.511 1541602
L129CD1-K126N-H 26.437 120.466 7.996 2635699
L129CD1-K128N-H 26.422 118.838 7.535 2774475
L129CD1-N-H 26.438 118.038 7.176 4543320
L129CD1-K130N-H 26.426 118.200 8.897 1932772
L129CD1-L138N-H 26.428 120.852 7.791 2324400
L129CD2-V124N-H 22.390 130.731 8.512 4693762
L129CD2-N-H 22.391 118.036 7.177 5459572
L129CD2-K130N-H 22.476 118.164 8.894 1662552
L129CD2-E131N-H 22.401 120.945 8.692 919905
L129CD2-E132N-H 22.424 115.151 7.650 1151160
L129CD2-Y134N-H 22.397 118.773 8.616 1522646
L129CD2-Y137N-H 22.396 117.205 8.127 1463350
L129CD2-L138N-H 22.409 120.844 7.791 1394303
L138CD1-L129N-H 25.056 118.027 7.176 2567002
L138CD1-K130N-H 25.101 118.206 8.899 5089617
L138CD1-Y134N-H 25.040 118.778 8.617 1247075
L138CD1-E135N-H 25.048 122.273 9.075 1656474
L138CD1-N-H 25.096 120.870 7.791 4760708
L138CD2-K130N-H 24.469 118.226 8.901 4986822
L138CD2-E135N-H 24.544 122.271 9.076 1024729
L138CD2-N-H 24.496 120.868 7.792 4343322
L140CD1-N-H 25.864 118.973 6.913 3842411
L140CD1-F141N-H 25.867 114.068 7.614 1690776
L140CD2-N-H 22.356 118.975 6.914 7347184
L144CD1-N142ND2-HD21 24.551 112.006 7.719 1094155
L144CD1-N142ND2-HD22 24.636 111.981 7.018 1011023
L144CD1-E145N-H 24.747 121.885 8.402 2104584
L144CD2-E145N-H 23.442 121.859 8.402 1885998
;
save_
save_CCH_noesy
_Saveframe_category spectral_peak_list
_Details .
_Experiment_label '3D (C13)HSQC-NOESY-(C13)HSQC'
_Number_of_spectral_dimensions 3
loop_
_Expt_dimension_ID
_Atom_type
_Spectral_region
1 H 'all H'
2 C methyl
3 C methyl
stop_
_Sample_label $SR10.026
_Sample_conditions_label $sample_conditions_1
_Text_data_format text
_Text_data
;
Assignment w1 w2 w3 Data Height Note
?-?-? 22.845 22.841 0.886 51753656
?-?-? 21.464 22.868 0.878 13038648 V46CG1 V46CG2 V46HG2 V46HG1/V75CG1 V90CG1 V90HG1 V75HG1/V102CG2
?-?-? 19.946 18.191 0.690 7197260 V43CG1 V43CG2 V43HG2 V43HG1/V124CG2 V43CG2 V43HG2 V124HG2(QU=0.983)
?-?-? 18.194 18.189 0.690 9973388
?-?-? 27.273 21.053 0.524 2857453 L51CD1 V75CG2 V75HG2 L51HD1/L99CD1 V75CG2 V75HG2 L99HD1(QU=1.000)
?-?-? 23.632 21.058 0.524 3725883 L51CD2 V75CG2 V75HG2 L51HD2/L99CD2 V75CG2 V75HG2 L99HD2(QU=1.000)
?-?-? 27.272 20.846 0.685 2050940 L51CD1 V90CG2 V90HG2 L51HD1/L99CD1 V90CG2 V90HG2 L99HD1(QU=1.000)
?-?-? 23.660 20.820 0.688 1302767 L51CD2 V90CG2 V90HG2 L51HD2/L99CD2 V90CG2 V90HG2 L99HD2(QU=0.999)
?-?-? 20.846 20.840 0.682 46244584
?-?-? 21.454 21.454 0.062 20721932
?-?-? 20.612 20.608 0.947 23265724
?-?-? 23.639 21.563 0.622 3162146 L51CD2 V75CG1 V75HG1 L51HD2/L99CD2 V75CG1 V75HG1 L99HD2(QU=0.949)
?-?-? 21.544 21.552 0.622 18202418
?-?-? 21.040 21.555 0.621 6950386 V75CG2 V75CG1 V75HG1 V75HG2/V90CG2 V75CG1 V75HG1 V90HG2(QU=0.922)
?-?-? 27.276 22.919 0.891 3743374 L51CD1 V46CG2 V46HG2 L51HD1/L99CD1 V90CG1 V90HG1 L99HD1(QU=1.000)
?-?-? 19.103 19.099 0.466 24189538
?-?-? 24.891 20.926 0.565 1137971 L41CD1 V124CG1 V124HG1 L41HD1/L138CD1 V124CG1 V124HG1 L138HD1(QU=0.667)
?-?-? 21.437 13.834 0.819 3002150 L12CD2 I9CD1 I9HD1 L12HD2/V46CG1 I9CD1 I9HD1 V46HG1(QU=0.995)
?-?-? 13.835 13.830 0.819 67703376
?-?-? 24.184 24.188 0.510 60881148
?-?-? 14.926 14.922 0.924 73232944
?-?-? 27.250 23.641 0.626 7822230 L51CD1 L51CD2 L51HD2 L51HD1/L99CD1 L51CD2 L51HD2 L99HD1(QU=0.849)
?-?-? 13.227 13.219 0.395 45675016
?-?-? 26.432 24.785 0.900 1295096
?-?-? 25.138 25.139 0.869 134276496
?-?-? 12.527 12.518 0.822 174656208
?-?-? 27.255 23.620 0.689 7485742 L51CD1 L99CD2 L99HD2 L51HD1/L99CD1 L99CD2 L99HD2 L99HD1(QU=1.000)
?-?-? 22.820 23.626 0.690 3278746 V46CG2 L99CD2 L99HD2 V46HG2/L121CD2 L99CD2 L99HD2 L121HD2(QU=0.635)
?-?-? 25.859 22.348 0.680 14725730 L112CD1 L112CD2 L112HD2 L112HD1/L140CD1 L140CD2 L140HD2 L140HD1(QU=1.000)
?-?-? 22.347 22.348 0.678 106955208
?-?-? 27.304 9.445 0.423 1211593 L51CD1 I116CD1 I116HD1 L51HD1/L99CD1 I116CD1 I116HD1 L99HD1(QU=0.999)
?-?-? 22.925 9.441 0.422 3452227 V90CG1 I116CD1 I116HD1 V90HG1/L121CD2 I116CD1 I116HD1 L121HD2(QU=0.665)
?-?-? 9.445 9.436 0.422 27332338
?-?-? 24.891 22.396 0.432 6698670 L41CD1 L129CD2 L129HD2 L41HD1/L138CD1 L129CD2 L129HD2 L138HD1(QU=0.899)
?-?-? 22.393 22.397 0.432 26969754
?-?-? 20.040 22.395 0.432 2119773 V43CG1 L129CD2 L129HD2 V43HG1/V124CG2 L129CD2 L129HD2 V124HG2(QU=1.000)
?-?-? 25.126 25.123 1.083 96150808
?-?-? 23.444 23.442 0.840 434748896
?-?-? 21.575 26.016 0.822 5010508 L12CD2 L12CD1 L12HD1 L12HD2/V46CG1 L12CD1 L12HD1 V46HG1(QU=0.854)
?-?-? 19.941 24.908 0.220 2231680 V43CG1 L41CD1 L41HD1 V43HG1/V124CG2 L41CD1 L41HD1 V124HG2(QU=0.979)
?-?-? 23.632 27.222 0.781 6746908 L51CD2 L51CD1 L51HD1 L51HD2/L99CD2 L51CD1 L51HD1 L99HD2(QU=1.000)
?-?-? 22.815 27.220 0.781 4007344 V46CG2 L51CD1 L51HD1 V46HG2/L121CD2 L51CD1 L51HD1 L121HD2(QU=0.999)
?-?-? 23.513 23.510 0.908 153530592
?-?-? 23.633 27.271 0.723 6213424 L51CD2 L99CD1 L99HD1 L51HD2/L99CD2 L99CD1 L99HD1 L99HD2(QU=1.000)
?-?-? 20.975 27.276 0.722 2995018 V75CG2 L99CD1 L99HD1 V75HG2/V90CG2 L99CD1 L99HD1 V90HG2(QU=0.981)
?-?-? 25.957 25.969 1.046 12214436
?-?-? 23.687 22.776 0.709 4018591 L51CD2 L121CD2 L121HD2 L51HD2/L99CD2 L121CD2 L121HD2 L99HD2(QU=0.855)
?-?-? 22.793 22.792 0.707 35041916
?-?-? 26.440 26.432 0.676 26217802
?-?-? 24.959 26.433 0.676 4537972 L41CD1 L129CD1 L129HD1 L41HD1/L138CD1 L129CD1 L129HD1 L138HD1(QU=0.972)
?-?-? 24.501 24.509 1.000 103892120
?-?-? 25.908 25.936 0.855 17951926
?-?-? 24.754 24.759 0.902 335572416
?-?-? 24.180 24.184 0.628 40368764
?-?-? 22.784 22.834 0.874 32972188
?-?-? 20.836 22.882 0.874 5863655 V19CG1 V19CG2 V19HG2 V19HG1/V75CG2 V90CG1 V90HG1 V75HG2/V90CG2
?-?-? 20.644 22.666 0.888 11357890 V19CG1 V19CG2 V19HG2 V19HG1/V90CG2 V90CG1 V90HG1 V90HG2(QU=0.696)
?-?-? 22.663 22.666 0.888 43531660
?-?-? 20.968 20.911 0.569 18637500
?-?-? 25.900 22.393 0.704 10332769 L112CD1 L112CD2 L112HD2 L112HD1/L140CD1 L140CD2 L140HD2 L140HD1(QU=0.752)
?-?-? 22.366 22.345 0.704 56415608
?-?-? 26.029 26.007 0.822 10388133
I9CD1-V46CG1-HG1 13.815 21.402 0.914 2266066
I9CD1-V46CG2-HG2 13.830 22.827 0.870 1204556
L12CD1-CD2-HD2 26.008 21.582 0.742 7835888
L12CD1-V46CG1-HG1 25.974 21.421 0.913 1109433
L12CD2-I45CD1-HD1 21.580 14.930 0.924 3619919
L12CD2-V46CG1-HG1 21.416 21.414 0.916 29534582
V19CG2-CG1-HG1 22.642 20.626 0.951 7556808
L41CD1-CD2-HD2 24.906 24.189 0.511 15145449
L41CD1-V43CG1-HG1 24.890 19.880 0.077 2490566
L41CD1-I71CD1-HD1 24.898 13.216 0.395 2079814
L41CD1-L140CD1-HD1 25.073 25.924 0.867 1887778
L41CD2-CD1-HD1 24.192 24.897 0.220 13810842
L41CD2-V43CG1-HG1 24.195 19.872 0.077 2340836
L41CD2-I71CD1-HD1 24.192 13.235 0.395 4289218
L41CD2-L129CD2-HD2 24.309 22.395 0.433 3845676
V43CG1-L41CD2-HD2 19.926 24.180 0.511 2061422
V43CG1-V124CG2-HG2 20.064 20.087 0.519 18635806
V43CG2-CG1-HG1 18.192 19.876 0.077 7239988
V43CG2-V124CG2-HG2 18.191 20.075 0.519 3138842
I45CD1-L12CD2-HD2 14.934 21.587 0.744 2941652
V46CG1-L12CD2-HD2 21.580 21.587 0.743 47417968
V46CG2-I9CD1-HD1 22.814 13.825 0.819 1669454
V46CG2-L12CD1-HD1 22.744 25.985 0.826 2055169
V46CG2-L12CD2-HD2 22.836 21.582 0.742 3807625
V46CG2-CG1-HG1 22.820 21.433 0.916 6220182
L51CD1-L99CD1-HD1 27.270 27.268 0.722 11877538
L51CD1-L121CD1-HD1 27.243 24.156 0.624 2161726
L51CD1-L121CD2-HD2 27.242 22.799 0.707 7061966
L51CD2-L99CD2-HD2 23.608 23.610 0.690 16645045
I71CD1-L41CD1-HD1 13.221 24.890 0.220 1757860
I71CD1-L41CD2-HD2 13.226 24.195 0.511 3675256
I71CD1-L140CD2-HD2 13.231 22.339 0.672 1085031
V75CG1-L51CD2-HD2 21.513 23.627 0.626 2798380
V75CG1-CG2-HG2 21.545 21.007 0.528 5805592
V75CG1-V90CG2-HG2 21.461 20.826 0.687 5335796
V75CG1-L99CD1-HD1 21.516 27.277 0.722 2555464
V75CG2-L51CD2-HD2 21.039 23.642 0.626 3564464
L79CD1-CD2-HD2 23.510 25.137 0.870 28497814
L79CD1-I86CD1-HD1 23.506 12.526 0.822 3725318
L79CD2-CD1-HD1 25.142 23.516 0.908 36098856
L79CD2-I86CD1-HD1 25.134 12.492 0.822 1819563
I86CD1-L79CD1-HD1 12.545 23.530 0.909 3334078
I86CD1-L79CD2-HD2 12.519 25.149 0.869 1434448
V90CG1-V75CG1-HG1 22.913 21.547 0.621 5209696
V90CG1-V75CG2-HG2 22.899 21.039 0.524 2559218
V90CG1-CG2-HG2 22.932 20.839 0.682 11296898
V90CG1-L99CD1-HD1 22.877 27.263 0.723 3808940
V90CG1-V102CG1-HG1 22.924 19.102 0.466 2598771
V90CG1-V102CG2-HG2 22.895 21.459 0.061 1456245
V90CG2-V75CG2-HG2 21.028 21.036 0.528 19895188
V90CG2-V102CG1-HG1 20.872 19.107 0.460 3223440
V90CG2-V102CG2-HG2 20.896 21.463 0.059 1657328
V90CG2-I116CD1-HD1 20.857 9.437 0.423 5156104
L99CD1-L51CD1-HD1 27.237 27.219 0.781 10577710
L99CD1-V75CG1-HG1 27.270 21.554 0.621 3354458
L99CD2-V46CG2-HG2 23.623 22.843 0.886 2126493
L99CD2-L51CD2-HD2 23.629 23.632 0.626 22934426
V102CG1-V90CG1-HG1 19.094 22.898 0.892 2791508
V102CG1-V90CG2-HG2 19.099 20.840 0.682 4045456
V102CG1-CG2-HG2 19.142 21.457 0.062 6363794
V102CG1-L112CD2-HD2 19.108 22.304 0.706 2265158
V102CG2-CG1-HG1 21.435 19.098 0.467 8351842
V102CG2-L112CD2-HD2 21.426 22.324 0.707 5395692
L112CD1-V90CG1-HG1 26.004 22.820 0.870 3253223
L112CD1-V102CG1-HG1 25.887 19.110 0.466 1056066
L112CD1-V102CG2-HG2 25.926 21.447 0.062 1729852
L112CD2-V102CG1-HG1 22.306 19.088 0.466 2233875
L112CD2-V102CG2-HG2 22.295 21.452 0.061 3633133
L112CD2-CD1-HD1 22.306 25.933 1.052 3177734
I116CD1-V90CG1-HG1 9.440 22.949 0.893 2321172
I116CD1-V90CG2-HG2 9.449 20.855 0.685 3451850
L121CD1-CD2-HD2 24.182 22.798 0.707 9160628
L121CD2-CD1-HD1 22.794 24.181 0.628 11325200
V124CG1-L41CD1-HD1 20.937 24.908 0.218 1253223
V124CG1-V43CG1-HG1 20.933 19.861 0.077 1494696
V124CG1-CG2-HG2 20.920 20.097 0.520 6374052
V124CG1-L129CD1-HD1 20.926 26.431 0.676 1501807
V124CG1-L129CD2-HD2 20.927 22.395 0.432 6107196
V124CG2-V43CG1-HG1 19.898 19.875 0.077 26147248
V124CG2-CG1-HG1 20.064 20.927 0.563 5589825
L129CD1-L41CD1-HD1 26.442 24.903 0.220 3288995
L129CD1-L41CD2-HD2 26.428 24.178 0.511 2113844
L129CD1-V124CG1-HG1 26.435 20.933 0.564 1576667
L129CD1-CD2-HD2 26.442 22.397 0.432 9145374
L129CD1-L138CD1-HD1 26.426 25.112 1.083 3177419
L129CD1-L138CD2-HD2 26.427 24.505 1.000 8238856
L129CD2-L41CD1-HD1 22.393 24.891 0.220 6137423
L129CD2-L41CD2-HD2 22.390 24.194 0.511 4506349
L129CD2-V124CG1-HG1 22.400 20.926 0.563 5433776
L129CD2-V124CG2-HG2 22.401 20.078 0.520 1893036
L129CD2-CD1-HD1 22.395 26.433 0.676 8028214
L129CD2-L138CD2-HD2 22.384 24.528 1.000 2207775
L138CD1-L41CD1-HD1 24.896 24.897 0.220 40465452
L138CD1-CD2-HD2 25.133 24.513 0.999 26943058
L138CD2-L129CD1-HD1 24.493 26.436 0.676 7221275
L138CD2-CD1-HD1 24.510 25.124 1.083 24372334
L140CD1-L41CD1-HD1 25.837 24.897 0.220 1691324
L140CD1-L41CD2-HD2 25.846 24.188 0.510 2640700
L140CD1-I71CD1-HD1 25.844 13.210 0.395 2313594
L140CD2-I71CD1-HD1 22.367 13.205 0.395 1656947
L140CD2-CD1-HD1 22.303 25.911 0.849 5913018
L144CD1-CD2-HD2 24.766 23.446 0.840 19312518
L144CD2-CD1-HD1 23.437 24.787 0.901 15047594
;
save_