data_6474
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The 15N relaxation data and backbone dynamics results of CLV1 pT868 bound KI-FHA
from KAPP
;
_BMRB_accession_number 6474
_BMRB_flat_file_name bmr6474.str
_Entry_type original
_Submission_date 2005-01-30
_Accession_date 2005-01-31
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ding Zhaofeng . .
2 Lee Gui-in . .
3 Liang Xiangyang . .
4 Gallazzi Fabio . .
5 'Van Doren' Steven R. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
S2_parameters 1
T1_relaxation 2
T2_relaxation 2
heteronucl_NOE 2
stop_
loop_
_Data_type
_Data_type_count
"T1 relaxation values" 208
"T2 relaxation values" 212
"order parameters" 101
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-03-30 update BMRB
;
corrected typos in data values
added tau f and s val units tags with values of ns
;
2005-09-08 orginal author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
5564 'Chemical shift data of the free protein'
5841 'relaxation data of free KI-FHA from KAPP'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
PhosphoThr Peptide Binding Globally Rigidifies Much of the FHA Domain from
Arabidopsis Receptor Kinase-Associated Protein Phosphatase
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16042389
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ding Zhaofeng . .
2 Lee Gui-In . .
3 Liang Xiangyang . .
4 Gallazzi Fabio . .
5 Arunima A. . .
6 'Van Doren' Steven R. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 44
_Journal_issue 30
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 10119
_Page_last 10134
_Year 2005
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_KI-FHA_FHA_domain_Receptor-like_kinase_CLV1_pT868_peptide
_Saveframe_category molecular_system
_Mol_system_name 'KI-FHA domain of KAPP'
_Abbreviation_common 'KI-FHA; FHA domain,Receptor-like kinase, CLV1 pT868 peptide'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Kinase-interacting FHA domain of KAPP' $KI-FHA
'CLV1 pT868 peptide' $CLV1_pT868
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state complex
_System_paramagnetic no
_System_thiol_state 'not present'
loop_
_Biological_function
'pThr/Ser binding domain'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_KI-FHA
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Kinase Interacting FHA (KI-FHA) domain from KAPP'
_Abbreviation_common KI-FHA
_Molecular_mass 13238
_Mol_thiol_state 'not present'
_Details
;
This molecular mass was determined by MS, the C-terminal FQIPFKIGVASDPMA is
unstructured and cleaved off during protein preparation.
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 139
_Mol_residue_sequence
;
GPLGSSWLFLEVIAGPAIGL
QHAVNSTSSSKLPVKLGRVS
PSDLALKDSEVSGKHAQITW
NSTKFKWELVDMGSLNGTLV
NSHSISHPDLGSRKWGNPVE
LASDDIITLGTTTKVYVRIS
SQNEFQIPFKIGVASDPMA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLY 5 5 SER
6 180 SER 7 181 TRP 8 182 LEU 9 183 PHE 10 184 LEU
11 185 GLU 12 186 VAL 13 187 ILE 14 188 ALA 15 189 GLY
16 190 PRO 17 191 ALA 18 192 ILE 19 193 GLY 20 194 LEU
21 195 GLN 22 196 HIS 23 197 ALA 24 198 VAL 25 199 ASN
26 200 SER 27 201 THR 28 202 SER 29 203 SER 30 204 SER
31 205 LYS 32 206 LEU 33 207 PRO 34 208 VAL 35 209 LYS
36 210 LEU 37 211 GLY 38 212 ARG 39 213 VAL 40 214 SER
41 215 PRO 42 216 SER 43 217 ASP 44 218 LEU 45 219 ALA
46 220 LEU 47 221 LYS 48 222 ASP 49 223 SER 50 224 GLU
51 225 VAL 52 226 SER 53 227 GLY 54 228 LYS 55 229 HIS
56 230 ALA 57 231 GLN 58 232 ILE 59 233 THR 60 234 TRP
61 235 ASN 62 236 SER 63 237 THR 64 238 LYS 65 239 PHE
66 240 LYS 67 241 TRP 68 242 GLU 69 243 LEU 70 244 VAL
71 245 ASP 72 246 MET 73 247 GLY 74 248 SER 75 249 LEU
76 250 ASN 77 251 GLY 78 252 THR 79 253 LEU 80 254 VAL
81 255 ASN 82 256 SER 83 257 HIS 84 258 SER 85 259 ILE
86 260 SER 87 261 HIS 88 262 PRO 89 263 ASP 90 264 LEU
91 265 GLY 92 266 SER 93 267 ARG 94 268 LYS 95 269 TRP
96 270 GLY 97 271 ASN 98 272 PRO 99 273 VAL 100 274 GLU
101 275 LEU 102 276 ALA 103 277 SER 104 278 ASP 105 279 ASP
106 280 ILE 107 281 ILE 108 282 THR 109 283 LEU 110 284 GLY
111 285 THR 112 286 THR 113 287 THR 114 288 LYS 115 289 VAL
116 290 TYR 117 291 VAL 118 292 ARG 119 293 ILE 120 294 SER
121 295 SER 122 296 GLN 123 297 ASN 124 298 GLU 125 299 PHE
126 300 GLN 127 301 ILE 128 302 PRO 129 303 PHE 130 304 LYS
131 305 ILE 132 306 GLY 133 307 VAL 134 308 ALA 135 309 SER
136 310 ASP 137 311 PRO 138 312 MET 139 313 ALA
stop_
_Sequence_homology_query_date 2008-08-19
_Sequence_homology_query_revised_last_date 2008-08-19
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 5564 'kinase associated protein phosphatase' 100.00 139 100.00 100.00 4.02e-74
BMRB 5841 'kinase associated protein phosphatase' 100.00 139 100.00 100.00 4.02e-74
PDB 1MZK 'Nmr Structure Of Kinase-Interacting Fha Domain Of Kinase Associated Protein Phosphatase, Kapp In Arabidopsis' 100.00 139 100.00 100.00 4.02e-74
GenBank AAB38148 'kinase associated protein phosphatase' 96.40 581 100.00 100.00 1.10e-72
GenBank AAK76527 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' 96.40 581 100.00 100.00 1.10e-72
GenBank AAM51227 'putative kinase associated protein phosphatase [Arabidopsis thaliana]' 96.40 581 100.00 100.00 1.10e-72
REF NP_197429 'KAPP (Kinase-associated protein phosphatase); protein serine/threonine phosphatase [Arabidopsis thaliana]' 96.40 581 100.00 100.00 1.10e-72
SWISS-PROT P46014 'Kinase-associated protein phosphatase' 96.40 581 100.00 100.00 1.10e-72
stop_
save_
save_CLV1_pT868
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'CLV1 pT868 peptide'
_Abbreviation_common 'CLV1 pT868 peptide'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details 'The peptide PEYAYT(p)LKVDEKS (aa863-875) of CLAVATA1, denoted CLV1 pT868 peptide.'
_Residue_count 13
_Mol_residue_sequence PEYAYTLKVDEKS
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 863 PRO 2 864 GLU 3 865 TYR 4 866 ALA 5 867 TYR
6 868 THR 7 869 LEU 8 870 LYS 9 871 VAL 10 872 ASP
11 873 GLU 12 874 LYS 13 875 SER
stop_
_Sequence_homology_query_date 2008-08-19
_Sequence_homology_query_revised_last_date 2005-09-15
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$KI-FHA 'Thale cress' 3702 Eukaryota Viridiplantae . .
$CLV1_pT868 . . . . . .
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
$KI-FHA 'recombinant technology' . . . . .
$CLV1_pT868 . . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_one
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$KI-FHA 0.53 mM [U-15N]
$CLV1_pT868 2.1 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_15N_T1_relaxation_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T1 relaxation'
_Sample_label $sample_one
save_
save_15N_T2_relaxation_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T2 relaxation'
_Sample_label $sample_one
save_
save_heteronuclear_1H-15N_NOE_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'heteronuclear 1H-15N NOE'
_Sample_label $sample_one
save_
save_1H-15N_HSQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_Sample_label $sample_one
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T1 relaxation'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N T2 relaxation'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name 'heteronuclear 1H-15N NOE'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_one
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.3 0.1 pH
temperature 295 1 K
stop_
save_
save_15N_T1_set_1
_Saveframe_category T1_relaxation
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Spectrometer_frequency_1H 500
_T1_coherence_type Nz
_T1_value_units s
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Text_data_format .
_Text_data .
loop_
_T1_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T1_value
_T1_value_error
1 3 LEU N 0.570 0.044
2 4 GLY N 0.508 0.045
3 5 SER N 0.470 0.055
4 6 SER N 0.495 0.047
5 7 TRP N 0.503 0.048
6 8 LEU N 0.559 0.031
7 9 PHE N 0.527 0.037
8 10 LEU N 0.466 0.059
9 11 GLU N 0.473 0.019
10 12 VAL N 0.476 0.077
11 14 ALA N 0.510 0.047
12 15 GLY N 0.547 0.043
13 17 ALA N 0.442 0.028
14 18 ILE N 0.576 0.044
15 19 GLY N 0.492 0.034
16 20 LEU N 0.547 0.030
17 21 GLN N 0.499 0.019
18 22 HIS N 0.565 0.063
19 23 ALA N 0.485 0.063
20 24 VAL N 0.462 0.067
21 25 ASN N 0.537 0.022
22 26 SER N 0.475 0.048
23 27 THR N 0.414 0.032
24 28 SER N 0.471 0.059
25 29 SER N 0.455 0.042
26 31 LYS N 0.537 0.022
27 32 LEU N 0.600 0.047
28 34 VAL N 0.556 0.036
29 35 LYS N 0.586 0.025
30 37 GLY N 0.464 0.047
31 39 VAL N 0.424 0.031
32 42 SER N 0.422 0.046
33 44 LEU N 0.527 0.046
34 45 ALA N 0.643 0.065
35 46 LEU N 0.500 0.046
36 47 LYS N 0.415 0.047
37 50 GLU N 0.693 0.138
38 51 VAL N 0.573 0.079
39 54 LYS N 0.546 0.047
40 55 HIS N 0.518 0.040
41 56 ALA N 0.555 0.048
42 57 GLN N 0.539 0.060
43 58 ILE N 0.563 0.009
44 59 THR N 0.543 0.023
45 60 TRP N 0.539 0.020
46 61 ASN N 0.528 0.023
47 62 SER N 0.490 0.028
48 63 THR N 0.573 0.066
49 64 LYS N 0.598 0.023
50 65 PHE N 0.579 0.034
51 66 LYS N 0.541 0.048
52 67 TRP N 0.555 0.012
53 68 GLU N 0.557 0.045
54 69 LEU N 0.603 0.034
55 70 VAL N 0.518 0.033
56 71 ASP N 0.464 0.020
57 72 MET N 0.568 0.050
58 73 GLY N 0.567 0.058
59 74 SER N 0.474 0.054
60 75 LEU N 0.351 0.070
61 76 ASN N 0.444 0.052
62 77 GLY N 0.412 0.030
63 78 THR N 0.464 0.039
64 79 LEU N 0.563 0.052
65 80 VAL N 0.526 0.057
66 81 ASN N 0.494 0.056
67 82 SER N 0.377 0.038
68 83 HIS N 0.494 0.029
69 84 SER N 0.781 0.032
70 85 ILE N 0.479 0.030
71 86 SER N 0.453 0.018
72 87 HIS N 0.630 0.101
73 89 ASP N 0.556 0.030
74 91 GLY N 0.566 0.051
75 92 SER N 0.425 0.033
76 93 ARG N 0.432 0.032
77 94 LYS N 0.494 0.027
78 95 TRP N 0.553 0.024
79 96 GLY N 0.475 0.051
80 97 ASN N 0.510 0.065
81 99 VAL N 0.545 0.035
82 100 GLU N 0.592 0.036
83 101 LEU N 0.548 0.031
84 102 ALA N 0.650 0.085
85 103 SER N 0.644 0.035
86 104 ASP N 0.441 0.047
87 105 ASP N 0.549 0.050
88 106 ILE N 0.555 0.032
89 107 ILE N 0.532 0.059
90 108 THR N 0.529 0.052
91 109 LEU N 0.492 0.039
92 110 GLY N 0.509 0.023
93 112 THR N 0.419 0.039
94 113 THR N 0.505 0.179
95 114 LYS N 0.559 0.026
96 115 VAL N 0.516 0.063
97 116 TYR N 0.514 0.074
98 117 VAL N 0.456 0.042
99 118 ARG N 0.498 0.034
100 120 SER N 0.564 0.038
101 121 SER N 0.709 0.183
102 122 GLN N 0.392 0.029
103 123 ASN N 0.595 0.077
104 124 GLU N 0.663 0.050
stop_
save_
save_15N_T1_set_2
_Saveframe_category T1_relaxation
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Spectrometer_frequency_1H 600
_T1_coherence_type Nz
_T1_value_units s
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Text_data_format .
_Text_data .
loop_
_T1_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T1_value
_T1_value_error
1 3 LEU N 0.690 0.020
2 4 GLY N 0.649 0.033
3 5 SER N 0.626 0.027
4 6 SER N 0.657 0.023
5 7 TRP N 0.703 0.022
6 8 LEU N 0.751 0.021
7 9 PHE N 0.748 0.016
8 10 LEU N 0.844 0.034
9 11 GLU N 0.719 0.016
10 12 VAL N 0.818 0.073
11 14 ALA N 0.753 0.027
12 15 GLY N 0.749 0.016
13 17 ALA N 0.640 0.029
14 18 ILE N 0.886 0.052
15 19 GLY N 0.779 0.079
16 20 LEU N 0.804 0.032
17 21 GLN N 0.746 0.047
18 22 HIS N 0.801 0.040
19 23 ALA N 0.749 0.035
20 24 VAL N 0.697 0.026
21 25 ASN N 0.704 0.015
22 26 SER N 0.723 0.027
23 27 THR N 0.618 0.025
24 28 SER N 0.646 0.012
25 29 SER N 0.724 0.030
26 31 LYS N 0.768 0.015
27 32 LEU N 0.840 0.020
28 34 VAL N 0.738 0.012
29 35 LYS N 0.797 0.021
30 37 GLY N 0.652 0.019
31 39 VAL N 0.725 0.059
32 42 SER N 0.605 0.025
33 44 LEU N 0.752 0.011
34 45 ALA N 0.815 0.011
35 46 LEU N 0.756 0.015
36 47 LYS N 0.688 0.066
37 50 GLU N 0.617 0.032
38 51 VAL N 0.670 0.045
39 54 LYS N 0.755 0.024
40 55 HIS N 0.794 0.034
41 56 ALA N 0.725 0.020
42 57 GLN N 0.759 0.008
43 58 ILE N 0.836 0.043
44 59 THR N 0.739 0.008
45 60 TRP N 0.746 0.013
46 61 ASN N 0.730 0.013
47 62 SER N 0.692 0.018
48 63 THR N 0.834 0.040
49 64 LYS N 0.769 0.016
50 65 PHE N 0.783 0.021
51 66 LYS N 0.761 0.016
52 67 TRP N 0.762 0.018
53 68 GLU N 0.751 0.010
54 69 LEU N 0.732 0.008
55 70 VAL N 0.716 0.018
56 71 ASP N 0.669 0.016
57 72 MET N 0.763 0.021
58 73 GLY N 0.736 0.011
59 74 SER N 0.647 0.037
60 75 LEU N 0.508 0.047
61 76 ASN N 0.637 0.037
62 77 GLY N 0.627 0.017
63 78 THR N 0.668 0.016
64 79 LEU N 0.705 0.024
65 80 VAL N 0.708 0.017
66 81 ASN N 0.727 0.026
67 82 SER N 0.561 0.031
68 83 HIS N 0.712 0.019
69 84 SER N 0.586 0.035
70 85 ILE N 0.653 0.020
71 86 SER N 0.660 0.024
72 87 HIS N 0.622 0.020
73 89 ASP N 0.647 0.028
74 91 GLY N 0.721 0.018
75 92 SER N 0.637 0.026
76 93 ARG N 0.568 0.014
77 94 LYS N 0.694 0.027
78 95 TRP N 0.711 0.029
79 96 GLY N 0.715 0.027
80 97 ASN N 0.782 0.041
81 99 VAL N 0.757 0.015
82 100 GLU N 0.840 0.035
83 101 LEU N 0.803 0.014
84 102 ALA N 0.882 0.022
85 103 SER N 0.845 0.022
86 104 ASP N 0.666 0.033
87 105 ASP N 0.796 0.021
88 106 ILE N 0.729 0.016
89 107 ILE N 0.760 0.025
90 108 THR N 0.723 0.013
91 109 LEU N 0.706 0.015
92 110 GLY N 0.684 0.030
93 112 THR N 0.550 0.021
94 113 THR N 0.567 0.032
95 114 LYS N 0.706 0.013
96 115 VAL N 0.875 0.048
97 116 TYR N 0.728 0.026
98 117 VAL N 0.752 0.049
99 118 ARG N 0.712 0.043
100 120 SER N 0.739 0.027
101 121 SER N 0.544 0.025
102 122 GLN N 0.564 0.012
103 123 ASN N 0.531 0.022
104 124 GLU N 0.726 0.012
stop_
save_
save_15N_T2_set_1
_Saveframe_category T2_relaxation
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Spectrometer_frequency_1H 500
_T2_coherence_type Ny
_T2_value_units s
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Text_data_format .
_Text_data .
loop_
_T2_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T2_value
_T2_value_error
_Rex_value
_Rex_error
1 3 LEU N 0.2031 0.0136 . .
2 4 GLY N 0.1683 0.0071 . .
3 5 SER N 0.0943 0.0028 . .
4 6 SER N 0.0686 0.0011 . .
5 7 TRP N 0.0701 0.0027 . .
6 8 LEU N 0.0713 0.0015 . .
7 9 PHE N 0.0702 0.0049 . .
8 10 LEU N 0.0633 0.0030 . .
9 11 GLU N 0.0715 0.0074 . .
10 12 VAL N 0.0592 0.0050 . .
11 14 ALA N 0.0706 0.0044 . .
12 15 GLY N 0.0710 0.0010 . .
13 17 ALA N 0.0667 0.0029 . .
14 18 ILE N 0.0599 0.0018 . .
15 19 GLY N 0.0582 0.0082 . .
16 20 LEU N 0.0691 0.0068 . .
17 21 GLN N 0.0812 0.0051 . .
18 22 HIS N 0.0752 0.0054 . .
19 23 ALA N 0.0697 0.0079 . .
20 24 VAL N 0.0594 0.0022 . .
21 25 ASN N 0.0780 0.0027 . .
22 26 SER N 0.0617 0.0032 . .
23 27 THR N 0.0604 0.0011 . .
24 28 SER N 0.0667 0.0018 . .
25 29 SER N 0.0640 0.0018 . .
26 31 LYS N 0.0613 0.0015 . .
27 32 LEU N 0.0713 0.0027 . .
28 34 VAL N 0.0656 0.0012 . .
29 35 LYS N 0.0780 0.0027 . .
30 37 GLY N 0.0737 0.000968 . .
31 39 VAL N 0.0544 0.0066 . .
32 42 SER N 0.0645 0.0027 . .
33 44 LEU N 0.0682 0.0036 . .
34 45 ALA N 0.0650 0.0018 . .
35 46 LEU N 0.0654 0.0030 . .
36 47 LYS N 0.0728 0.0033 . .
37 50 GLU N 0.0628 0.0034 . .
38 51 VAL N 0.0504 0.0083 . .
39 54 LYS N 0.0637 0.0024 . .
40 55 HIS N 0.0770 0.0047 . .
41 56 ALA N 0.0707 0.0029 . .
42 57 GLN N 0.0833 0.0072 . .
43 58 ILE N 0.0790 0.0039 . .
44 59 THR N 0.0684 0.0020 . .
45 60 TRP N 0.0687 0.0017 . .
46 61 ASN N 0.0726 0.0013 . .
47 62 SER N 0.0645 0.000927 . .
48 63 THR N 0.0688 0.0013 . .
49 64 LYS N 0.0677 0.0033 . .
50 65 PHE N 0.0756 0.0011 . .
51 66 LYS N 0.0709 0.0024 . .
52 67 TRP N 0.0716 0.0024 . .
53 68 GLU N 0.0695 0.0031 . .
54 69 LEU N 0.0744 0.0034 . .
55 70 VAL N 0.0799 0.0021 . .
56 71 ASP N 0.0680 0.0038 . .
57 72 MET N 0.0770 0.0024 . .
58 73 GLY N 0.0700 0.0015 . .
59 74 SER N 0.0571 0.0076 . .
60 75 LEU N 0.0694 0.0067 . .
61 76 ASN N 0.0468 0.0033 . .
62 77 GLY N 0.0668 0.0023 . .
63 78 THR N 0.0650 0.0017 . .
64 79 LEU N 0.0641 0.0011 . .
65 80 VAL N 0.0703 0.0023 . .
66 81 ASN N 0.0636 0.0016 . .
67 82 SER N 0.0412 0.0039 . .
68 83 HIS N 0.0642 0.0022 . .
69 84 SER N 0.0599 0.000896 . .
70 85 ILE N 0.0672 0.0032 . .
71 86 SER N 0.0638 0.0020 . .
72 87 HIS N 0.0599 0.000456 . .
73 89 ASP N 0.0628 0.0022 . .
74 91 GLY N 0.0700 0.0035 . .
75 92 SER N 0.0680 0.0014 . .
76 93 ARG N 0.0507 0.0018 . .
77 94 LYS N 0.0658 0.0024 . .
78 95 TRP N 0.0658 0.0038 . .
79 96 GLY N 0.0667 0.0017 . .
80 97 ASN N 0.0677 0.0020 . .
81 99 VAL N 0.0711 0.0015 . .
82 100 GLU N 0.0790 0.000925 . .
83 101 LEU N 0.0719 0.0023 . .
84 102 ALA N 0.0636 0.0019 . .
85 103 SER N 0.0682 0.0033 . .
86 104 ASP N 0.0695 0.0033 . .
87 105 ASP N 0.0634 0.0021 . .
88 106 ILE N 0.0720 0.0022 . .
89 107 ILE N 0.0749 0.0072 . .
90 108 THR N 0.0688 0.0021 . .
91 109 LEU N 0.0689 0.0030 . .
92 110 GLY N 0.0639 0.0019 . .
93 112 THR N 0.0578 0.0034 . .
94 113 THR N 0.0863 0.0096 . .
95 114 LYS N 0.0749 0.0048 . .
96 115 VAL N 0.0755 0.0043 . .
97 116 TYR N 0.0681 0.0027 . .
98 117 VAL N 0.0604 0.0067 . .
99 118 ARG N 0.0745 0.0069 . .
100 120 SER N 0.0688 0.0028 . .
101 121 SER N 0.0655 0.0017 . .
102 122 GLN N 0.0880 0.0031 . .
103 123 ASN N 0.1008 0.0015 . .
104 124 GLU N 0.2250 0.0090 . .
stop_
save_
save_15N_T2_set_2
_Saveframe_category T2_relaxation
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Spectrometer_frequency_1H 600
_T2_coherence_type Ny
_T2_value_units s
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Text_data_format .
_Text_data .
loop_
_T2_ID
_Residue_seq_code
_Residue_label
_Atom_name
_T2_value
_T2_value_error
_Rex_value
_Rex_error
1 3 LEU N 0.1863 0.0029 . .
2 4 GLY N 0.1507 0.0020 . .
3 5 SER N 0.0946 0.0010 . .
4 6 SER N 0.0635 0.000948 . .
5 7 TRP N 0.0581 0.000658 . .
6 8 LEU N 0.0622 0.0013 . .
7 9 PHE N 0.0535 0.000791 . .
8 10 LEU N 0.0440 0.0020 . .
9 11 GLU N 0.0431 0.000752 . .
10 12 VAL N 0.0427 0.0012 . .
11 14 ALA N 0.0576 0.0019 . .
12 15 GLY N 0.0568 0.000938 . .
13 17 ALA N 0.0562 0.000857 . .
14 18 ILE N 0.0518 0.000598 . .
15 19 GLY N 0.0475 0.0022 . .
16 20 LEU N 0.0554 0.0022 . .
17 21 GLN N 0.0700 0.0059 . .
18 22 HIS N 0.0600 0.000745 . .
19 23 ALA N 0.0484 0.0015 . .
20 24 VAL N 0.0547 0.000478 . .
21 25 ASN N 0.0612 0.0024 . .
22 26 SER N 0.0519 0.000699 . .
23 27 THR N 0.0559 0.000742 . .
24 28 SER N 0.0613 0.000281 . .
25 29 SER N 0.0591 0.000163 . .
26 31 LYS N 0.0561 0.000418 . .
27 32 LEU N 0.0602 0.000468 . .
28 34 VAL N 0.0602 0.000832 . .
29 35 LYS N 0.0736 0.000978 . .
30 36 LEU N 0.0601 0.00058 . .
31 37 GLY N 0.0573 0.000589 . .
32 39 VAL N 0.0483 0.0011 . .
33 42 SER N 0.0612 0.000463 . .
34 43 ASP N 0.0569 0.000989 . .
35 44 LEU N 0.0513 0.0013 . .
36 45 ALA N 0.0564 0.000492 . .
37 46 LEU N 0.0594 0.0011 . .
38 47 LYS N 0.0550 0.0024 . .
39 48 ASP N 0.0642 0.0023 . .
40 50 GLU N 0.0618 0.000345 . .
41 51 VAL N 0.0588 0.000718 . .
42 53 GLY N 0.0495 0.0013 . .
43 54 LYS N 0.0555 0.000562 . .
44 55 HIS N 0.0608 0.0010 . .
45 56 ALA N 0.0604 0.000476 . .
46 57 GLN N 0.0616 0.000758 . .
47 58 ILE N 0.0597 0.00058 . .
48 59 THR N 0.0587 0.000466 . .
49 60 TRP N 0.0612 0.000765 . .
50 61 ASN N 0.0628 0.000587 . .
51 62 SER N 0.0592 0.000692 . .
52 63 THR N 0.0611 0.000313 . .
53 64 LYS N 0.0596 0.000626 . .
54 65 PHE N 0.0570 0.000544 . .
55 66 LYS N 0.0618 0.000937 . .
56 67 TRP N 0.0619 0.000877 . .
57 68 GLU N 0.0585 0.0012 . .
58 69 LEU N 0.0646 0.000816 . .
59 70 VAL N 0.0571 0.000463 . .
60 71 ASP N 0.0612 0.000826 . .
61 72 MET N 0.0727 0.000489 . .
62 73 GLY N 0.0550 0.000668 . .
63 74 SER N 0.0528 0.000568 . .
64 75 LEU N 0.0545 0.0016 . .
65 76 ASN N 0.0556 0.000735 . .
66 77 GLY N 0.0575 0.000834 . .
67 78 THR N 0.0611 0.000696 . .
68 79 LEU N 0.0574 0.0013 . .
69 80 VAL N 0.0581 0.000381 . .
70 81 ASN N 0.0588 0.000811 . .
71 82 SER N 0.0317 0.000852 . .
72 83 HIS N 0.0520 0.000343 . .
73 84 SER N 0.0579 0.000787 . .
74 85 ILE N 0.0578 0.000678 . .
75 86 SER N 0.0588 0.000521 . .
76 87 HIS N 0.0615 0.00071 . .
77 89 ASP N 0.0617 0.000689 . .
78 91 GLY N 0.0665 0.000493 . .
79 92 SER N 0.0644 0.000795 . .
80 93 ARG N 0.0579 0.00058 . .
81 94 LYS N 0.0600 0.000459 . .
82 95 TRP N 0.0582 0.0013 . .
83 96 GLY N 0.0568 0.000727 . .
84 97 ASN N 0.0670 0.000647 . .
85 99 VAL N 0.0604 0.000392 . .
86 100 GLU N 0.0696 0.000829 . .
87 101 LEU N 0.0618 0.000458 . .
88 102 ALA N 0.0576 0.000985 . .
89 103 SER N 0.0639 0.000715 . .
90 104 ASP N 0.0535 0.0020 . .
91 105 ASP N 0.0516 0.000426 . .
92 106 ILE N 0.0621 0.0012 . .
93 107 ILE N 0.0520 0.0013 . .
94 108 THR N 0.0604 0.0011 . .
95 109 LEU N 0.0627 0.0011 . .
96 110 GLY N 0.0607 0.0014 . .
97 112 THR N 0.0575 0.0015 . .
98 113 THR N 0.0569 0.0017 . .
99 114 LYS N 0.0616 0.0023 . .
100 115 VAL N 0.0550 0.0012 . .
101 116 TYR N 0.0503 0.0011 . .
102 117 VAL N 0.0382 0.0027 . .
103 118 ARG N 0.0573 0.0021 . .
104 120 SER N 0.0608 0.0013 . .
105 121 SER N 0.0687 0.000874 . .
106 122 GLN N 0.0688 0.000568 . .
107 123 ASN N 0.0993 0.0022 . .
108 124 GLU N 0.2109 0.0055 . .
stop_
save_
save_heteronuclear_NOE_set_1
_Saveframe_category heteronuclear_NOE
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Spectrometer_frequency_1H 500
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Atom_one_atom_name N
_Atom_two_atom_name H
_Heteronuclear_NOE_value_type 'relative intensities'
_NOE_reference_value 1
_NOE_reference_description 'internal reference'
_Text_data_format .
_Text_data .
loop_
_Residue_seq_code
_Residue_label
_Heteronuclear_NOE_value
_Heteronuclear_NOE_value_error
3 LEU -0.200 0.122
4 GLY -0.016 0.052
5 SER 0.371 0.031
6 SER 0.638 0.035
7 TRP 0.801 0.076
8 LEU 0.545 0.049
9 PHE 0.815 0.060
10 LEU 0.678 0.108
11 GLU 0.401 0.113
12 VAL 0.871 0.051
14 ALA 0.706 0.098
15 GLY 0.693 0.040
17 ALA 0.757 0.085
18 ILE 0.737 0.086
19 GLY 0.563 0.099
20 LEU 0.517 0.048
21 GLN 0.509 0.021
22 HIS 0.710 0.073
23 ALA 0.867 0.026
24 VAL 0.767 0.062
25 ASN 0.777 0.038
26 SER 0.750 0.004
27 THR 0.743 0.009
28 SER 0.706 0.011
29 SER 0.524 0.011
31 LYS 0.660 0.032
32 LEU 0.688 0.020
34 VAL 0.798 0.011
35 LYS 0.688 0.004
39 VAL 0.553 0.030
42 SER 0.632 0.033
44 LEU 0.732 0.019
45 ALA 0.701 0.035
47 LYS 0.834 0.086
50 GLU 0.685 0.054
54 LYS 0.649 0.032
55 HIS 0.782 0.023
56 ALA 0.760 0.038
57 GLN 0.658 0.046
58 ILE 0.766 0.049
59 THR 0.783 0.022
60 TRP 0.692 0.047
61 ASN 0.714 0.042
62 SER 0.688 0.015
63 THR 0.648 0.027
64 LYS 0.735 0.004
65 PHE 0.698 0.005
66 LYS 0.728 0.049
67 TRP 0.790 0.027
68 GLU 0.798 0.044
69 LEU 0.697 0.069
70 VAL 0.573 0.012
71 ASP 0.817 0.040
72 MET 0.637 0.026
73 GLY 0.768 0.019
77 GLY 0.779 0.018
78 THR 0.777 0.058
79 LEU 0.789 0.020
80 VAL 0.716 0.020
81 ASN 0.805 0.037
82 SER 0.699 0.074
83 HIS 0.705 0.015
84 SER 0.781 0.032
85 ILE 0.673 0.060
86 SER 0.523 0.020
87 HIS 0.756 0.034
91 GLY 0.402 0.013
92 SER 0.408 0.083
94 LYS 0.619 0.047
95 TRP 0.715 0.068
96 GLY 0.757 0.006
97 ASN 0.669 0.038
99 VAL 0.763 0.062
100 GLU 0.583 0.061
101 LEU 0.554 0.064
102 ALA 0.764 0.048
103 SER 0.770 0.060
105 ASP 0.826 0.022
106 ILE 0.736 0.066
107 ILE 0.827 0.086
108 THR 0.797 0.034
110 GLY 0.720 0.041
113 THR 0.685 0.029
114 LYS 0.775 0.087
115 VAL 0.782 0.072
117 VAL 0.693 0.068
118 ARG 0.718 0.055
120 SER 0.714 0.049
121 SER 0.639 0.080
122 GLN 0.321 0.061
123 ASN 0.317 0.042
stop_
save_
save_heteronuclear_NOE_set_2
_Saveframe_category heteronuclear_NOE
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Spectrometer_frequency_1H 600
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Atom_one_atom_name N
_Atom_two_atom_name H
_Heteronuclear_NOE_value_type 'relative intensities'
_NOE_reference_value 1
_NOE_reference_description 'internal reference'
_Text_data_format .
_Text_data .
loop_
_Residue_seq_code
_Residue_label
_Heteronuclear_NOE_value
_Heteronuclear_NOE_value_error
3 LEU -0.273 0.002
4 GLY -0.056 0.014
5 SER 0.493 0.017
6 SER 0.814 0.017
7 TRP 0.819 0.050
8 LEU 0.812 0.020
9 PHE 0.803 0.018
10 LEU 0.786 0.020
11 GLU 0.770 0.028
12 VAL 0.769 0.017
14 ALA 0.809 0.003
15 GLY 0.821 0.043
17 ALA 0.835 0.047
18 ILE 0.805 0.035
19 GLY 0.735 0.046
20 LEU 0.845 0.012
21 GLN 0.734 0.091
22 HIS 0.835 0.054
23 ALA 0.835 0.087
25 ASN 0.817 0.058
27 THR 0.823 0.033
28 SER 0.764 0.008
29 SER 0.592 0.006
31 LYS 0.766 0.015
32 LEU 0.775 0.011
34 VAL 0.832 0.044
35 LYS 0.801 0.004
37 GLY 0.811 0.025
39 VAL 0.799 0.090
42 SER 0.709 0.005
44 LEU 0.794 0.050
45 ALA 0.817 0.059
46 LEU 0.782 0.014
47 LYS 0.749 0.110
50 GLU 0.732 0.064
51 VAL 0.835 0.006
54 LYS 0.779 0.007
55 HIS 0.764 0.045
56 ALA 0.803 0.011
57 GLN 0.822 0.003
58 ILE 0.802 0.012
59 THR 0.834 0.029
60 TRP 0.780 0.013
61 ASN 0.819 0.013
62 SER 0.823 0.006
63 THR 0.724 0.009
64 LYS 0.788 0.010
65 PHE 0.792 0.042
66 LYS 0.812 0.064
67 TRP 0.808 0.035
68 GLU 0.810 0.001
69 LEU 0.828 0.016
70 VAL 0.789 0.012
71 ASP 0.852 0.022
72 MET 0.709 0.007
73 GLY 0.774 0.060
75 LEU 0.853 0.010
76 ASN 0.868 0.018
77 GLY 0.832 0.007
78 THR 0.806 0.076
79 LEU 0.828 0.012
80 VAL 0.829 0.021
81 ASN 0.821 0.035
82 SER 0.850 0.023
83 HIS 0.805 0.013
84 SER 0.837 0.021
85 ILE 0.842 0.004
86 SER 0.824 0.007
87 HIS 0.828 0.016
89 ASP 0.738 0.010
91 GLY 0.516 0.0004648
92 SER 0.764 0.009
93 ARG 0.774 0.005
94 LYS 0.751 0.004
95 TRP 0.785 0.0007224
96 GLY 0.820 0.013
97 ASN 0.811 0.030
99 VAL 0.807 0.013
100 GLU 0.715 0.045
101 LEU 0.819 0.010
102 ALA 0.770 0.051
103 SER 0.807 0.030
104 ASP 0.841 0.029
105 ASP 0.810 0.035
106 ILE 0.798 0.001
107 ILE 0.859 0.050
108 THR 0.816 0.006
109 LEU 0.824 0.021
110 GLY 0.806 0.025
112 THR 0.771 0.040
114 LYS 0.820 0.038
115 VAL 0.820 0.018
116 TYR 0.824 0.059
117 VAL 0.835 0.069
118 ARG 0.805 0.023
120 SER 0.789 0.060
121 SER 0.708 0.044
122 GLN 0.613 0.024
123 ASN 0.729 0.003
124 GLU -0.039 0.012
stop_
save_
save_S2_parameters_label
_Saveframe_category S2_parameters
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $condition_one
_Mol_system_component_name 'Kinase-interacting FHA domain of KAPP'
_Tau_e_value_units ns
_Text_data_format .
_Text_data .
loop_
_Residue_seq_code
_Residue_label
_Atom_name
_Model_fit
_S2_value
_S2_value_fit_error
_Tau_e_value
_Tau_e_value_fit_error
_S2f_value
_S2f_value_fit_error
_S2s_value
_S2s_value_fit_error
_Tau_s_value
_Tau_s_value_fit_error
_S2H_value
_S2H_value_fit_error
_S2N_value
_S2N_value_fit_error
3 LEU N . 0.260 . 0.480 0.038 . . . . . . . . . .
4 GLY N . 0.188 . 0.602 0.071 . . . . . . . . . .
5 SER N . 0.537 . 1.457 0.048 . . . . . . . . . .
6 SER N . 0.889 . 1.537 0.337 . . . . . . . . . .
7 TRP N . 0.994 . 0.075 0.350 . . . . . . . . . .
8 LEU N . 0.949 . 0.560 0.334 . . . . . . . . . .
9 PHE N . 0.960 . . . . . . . . . . . . .
10 LEU N . 0.866 . . . . . . . . . . . . .
11 GLU N . 0.992 . . . . . . . . . . . . .
12 VAL N . 0.913 . 0.039 0.056 . . . . . . . . . .
14 ALA N . 0.980 . . . . . . . . . . . . .
15 GLY N . 0.994 . . . . . . . . . . . . .
17 ALA N . 0.910 . 1.641 0.540 . . . . . . . . . .
18 ILE N . 0.921 . . . . . . . . . . . . .
19 GLY N . 0.929 . 0.223 0.134 . . . . . . . . . .
20 LEU N . 0.963 . . . . . . . . . . . . .
21 GLN N . 0.834 . 1.057 0.232 . . . . . . . . . .
22 HIS N . 0.908 . . . . . . . . . . . . .
23 ALA N . 0.958 . . . . . . . . . . . . .
24 VAL N . 0.996 . . . . . . . . . . . . .
25 ASN N . 0.993 . 0.139 0.476 . . . . . . . . . .
26 SER N . 0.985 . . . . . . . . . . . . .
27 THR N . 0.888 . 1.785 0.328 . . . . . . . . . .
28 SER N . 0.871 . 1.873 0.170 . . . . . . . . . .
29 SER N . 0.844 . 0.118 0.047 . . . . . . . . . .
31 LYS N . 0.981 . . . . . . . . . . . . .
32 LEU N . 0.969 . . . . . . . . . . . . .
34 VAL N . 0.996 . . . . . . . . . . . . .
35 LYS N . 0.852 . 0.030 0.009 . . . . . . . . . .
37 GLY N . 0.999 . 0.024 0.202 . . . . . . . . . .
39 VAL N . 0.972 . . . . . . . . . . . . .
42 SER N . 0.775 . 1.913 0.127 . . . . . . . . . .
44 LEU N . 0.949 . . . . . . . . . . . . .
45 ALA N . 0.882 . . . . . . . . . . . . .
46 LEU N . 0.992 . . . . . . . . . . . . .
47 LYS N . 0.985 . . . . . . . . . . . . .
50 GLU N . 0.869 . 1.606 0.449 . . . . . . . . . .
51 VAL N . 0.973 . . . . . . . . . . . . .
54 LYS N . 0.959 . . . . . . . . . . . . .
55 HIS N . 0.921 . 0.039 0.045 . . . . . . . . . .
56 ALA N . 0.997 . . . . . . . . . . . . .
57 GLN N . 0.965 . . . . . . . . . . . . .
58 ILE N . 0.997 . . . . . . . . . . . . .
59 THR N . 0.998 . . . . . . . . . . . . .
60 TRP N . 0.990 . . . . . . . . . . . . .
61 ASN N . 0.964 . 0.952 0.468 . . . . . . . . . .
62 SER N . 0.938 . 1.348 0.460 . . . . . . . . . .
63 THR N . 0.947 . 0.309 0.098 . . . . . . . . . .
64 LYS N . 0.995 . . . . . . . . . . . . .
65 PHE N . 1.000 . 0.000382 0.008 . . . . . . . . . .
66 LYS N . 0.975 . . . . . . . . . . . . .
67 TRP N . 0.999 . 0.027 0.217 . . . . . . . . . .
68 GLU N . 0.992 . . . . . . . . . . . . .
69 LEU N . 0.962 . 0.078 0.078 . . . . . . . . . .
70 VAL N . 0.997 . . . . . . . . . . . . .
71 ASP N . 1.000 . 0.001 0.014 . . . . . . . . . .
72 MET N . 0.855 . 0.061 0.011 . . . . . . . . . .
73 GLY N . 1.000 . 0.001 0.020 . . . . . . . . . .
75 LEU N . 0.988 . 0.015 0.055 . . . . . . . . . .
76 ASN N . 0.994 . . . . . . . . . . . . .
77 GLY N . 0.891 . 1.829 0.261 . . . . . . . . . .
78 THR N . 1.000 . 0.001 0.021 . . . . . . . . . .
79 LEU N . 0.991 . . . . . . . . . . . . .
80 VAL N . 0.997 . . . . . . . . . . . . .
81 ASN N . 0.995 . . . . . . . . . . . . .
82 SER N . 0.867 . 1.729 0.406 . . . . . . . . . .
83 HIS N . 0.991 . . . . . . . . . . . . .
84 SER N . 0.999 . 0.000347 0.004 . . . . . . . . . .
85 ILE N . 0.996 . 0.003 0.018 . . . . . . . . . .
86 SER N . 0.785 . 1.554 0.146 . . . . . . . . . .
87 HIS N . 0.911 . 1.753 0.408 . . . . . . . . . .
89 ASP N . 0.971 . 0.330 0.128 . . . . . . . . . .
91 GLY N . 0.831 . 0.626 0.114 . . . . . . . . . .
92 SER N . 0.931 . 1.345 0.598 . . . . . . . . . .
93 ARG N . 0.730 . 1.898 0.137 . . . . . . . . . .
94 LYS N . 0.890 . 1.344 0.351 . . . . . . . . . .
95 TRP N . 0.988 . . . . . . . . . . . . .
96 GLY N . 0.986 . . . . . . . . . . . . .
97 ASN N . 0.894 . . . . . . . . . . . . .
99 VAL N . 0.998 . . . . . . . . . . . . .
100 GLU N . 0.887 . 0.061 0.019 . . . . . . . . . .
101 LEU N . 0.962 . . . . . . . . . . . . .
102 ALA N . 0.875 . . . . . . . . . . . . .
103 SER N . 0.911 . . . . . . . . . . . . .
104 ASP N . 0.987 . . . . . . . . . . . . .
105 ASP N . 0.968 . . . . . . . . . . . . .
106 ILE N . 0.989 . . . . . . . . . . . . .
107 ILE N . 0.945 . . . . . . . . . . . . .
108 THR N . 0.998 . 0.059 0.298 . . . . . . . . . .
109 LEU N . 0.995 . . . . . . . . . . . . .
110 GLY N . 0.992 . . . . . . . . . . . . .
112 THR N . 0.743 . 1.882 0.161 . . . . . . . . . .
114 LYS N . 0.994 . . . . . . . . . . . . .
115 VAL N . 0.839 . . . . . . . . . . . . .
116 TYR N . 0.977 . . . . . . . . . . . . .
117 VAL N . 0.979 . . . . . . . . . . . . .
118 ARG N . 0.989 . . . . . . . . . . . . .
120 SER N . 0.993 . . . . . . . . . . . . .
121 SER N . 0.744 . 1.872 0.173 . . . . . . . . . .
122 GLN N . 0.639 . 1.491 0.097 . . . . . . . . . .
123 ASN N . 0.486 . 1.786 0.099 . . . . . . . . . .
stop_
_Tau_s_value_units ns
save_