data_15703 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Soluble form of human earliest activation antigen of leukocytes CD69 ; _BMRB_accession_number 15703 _BMRB_flat_file_name bmr15703.str _Entry_type original _Submission_date 2008-04-01 _Accession_date 2008-04-01 _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 Kubickova Monika . . 2 Kaderavek Pavel . . 3 Chmelik Josef . . 4 Zidek Lukas . . 5 Sklenar Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 102 "13C chemical shifts" 205 "15N chemical shifts" 102 "T1 relaxation values" 83 "T2 relaxation values" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-10 update BMRB 'correct residue names in data tables' 2008-11-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Soluble recombinant CD69 receptors optimized to have an exceptional physical and chemical stability display prolonged circulation and remain intact in the blood of mice ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18959746 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vanek Ondrej . . 2 Nalezkova Monika . . 3 Kavan Daniel . . 4 Borovickova Ivana . . 5 Pompach Petr . . 6 Novak Petr . . 7 Kumar Vinay . . 8 Vannucci Luca . . 9 Hudecek Jiri . . 10 Hofbauerova Katerina . . 11 Kopecky Vladimir . Jr. 12 Brynda Jiri . . 13 Kolenko Petr . . 14 Dohnalek Jan . . 15 Kaderavek Pavel . . 16 Chmelik Josef . . 17 Gorcik Lukas . . 18 Zidek Lukas . . 19 Sklenar Vladimir . . 20 Bezouska Karel . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume 275 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5589 _Page_last 5606 _Year 2008 _Details . loop_ _Keyword CD69 'C-type lectin' 'leukocyte activation' 'ligand binding' NMR refolding stability 'tumor therapies' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CD69 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CD69 $CD69 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CD69 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CD69 _Molecular_mass . _Mol_thiol_state 'not reported' loop_ _Biological_function 'The earliest activation antigen of human leukocytes' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; GQYTFSMPSDSHVSSCSEDW VGYQRKCYFISTVKRSWTSA QNACSEHGATLAVIDSEKDM NFLKRYAGREEHWVGLKKEP GHPWKWSNGKEFNNWFNVTG SDKCVFLKNTEVSSMECEKN LYWICNKPYK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLN 3 TYR 4 THR 5 PHE 6 SER 7 MET 8 PRO 9 SER 10 ASP 11 SER 12 HIS 13 VAL 14 SER 15 SER 16 CYS 17 SER 18 GLU 19 ASP 20 TRP 21 VAL 22 GLY 23 TYR 24 GLN 25 ARG 26 LYS 27 CYS 28 TYR 29 PHE 30 ILE 31 SER 32 THR 33 VAL 34 LYS 35 ARG 36 SER 37 TRP 38 THR 39 SER 40 ALA 41 GLN 42 ASN 43 ALA 44 CYS 45 SER 46 GLU 47 HIS 48 GLY 49 ALA 50 THR 51 LEU 52 ALA 53 VAL 54 ILE 55 ASP 56 SER 57 GLU 58 LYS 59 ASP 60 MET 61 ASN 62 PHE 63 LEU 64 LYS 65 ARG 66 TYR 67 ALA 68 GLY 69 ARG 70 GLU 71 GLU 72 HIS 73 TRP 74 VAL 75 GLY 76 LEU 77 LYS 78 LYS 79 GLU 80 PRO 81 GLY 82 HIS 83 PRO 84 TRP 85 LYS 86 TRP 87 SER 88 ASN 89 GLY 90 LYS 91 GLU 92 PHE 93 ASN 94 ASN 95 TRP 96 PHE 97 ASN 98 VAL 99 THR 100 GLY 101 SER 102 ASP 103 LYS 104 CYS 105 VAL 106 PHE 107 LEU 108 LYS 109 ASN 110 THR 111 GLU 112 VAL 113 SER 114 SER 115 MET 116 GLU 117 CYS 118 GLU 119 LYS 120 ASN 121 LEU 122 TYR 123 TRP 124 ILE 125 CYS 126 ASN 127 LYS 128 PRO 129 TYR 130 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1E87 "Human Cd69 - Trigonal Form" 90.77 118 100.00 100.00 2.68e-81 PDB 1E8I "Human Cd69-Tetragonal Form" 90.77 118 100.00 100.00 2.68e-81 PDB 1FM5 "Crystal Structure Of Human Cd69" 100.00 199 100.00 100.00 9.54e-92 PDB 3CCK "Human Cd69" 90.77 118 100.00 100.00 2.68e-81 PDB 3HUP "High-Resolution Structure Of The Extracellular Domain Of Human Cd69" 100.00 130 100.00 100.00 1.87e-91 DBJ BAF84558 "unnamed protein product [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 DBJ BAG64271 "unnamed protein product [Homo sapiens]" 73.08 164 100.00 100.00 5.30e-64 EMBL CAA80298 "CD69 [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 EMBL CAA83017 "early lymphocyte activation antigen CD69 [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 GB AAB46359 "early activation antigen CD69 [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 GB AAH07037 "CD69 molecule [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 GB AAO63584 "CD69 antigen [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 GB ABM84101 "CD69 molecule [synthetic construct]" 100.00 199 100.00 100.00 9.54e-92 GB ABM87473 "CD69 molecule [synthetic construct]" 100.00 199 100.00 100.00 9.54e-92 REF NP_001772 "early activation antigen CD69 [Homo sapiens]" 100.00 199 100.00 100.00 9.54e-92 REF XP_002822933 "PREDICTED: early activation antigen CD69 [Pongo abelii]" 100.00 203 98.46 99.23 1.41e-90 REF XP_003265512 "PREDICTED: early activation antigen CD69 isoform X1 [Nomascus leucogenys]" 100.00 199 96.92 99.23 1.06e-89 REF XP_003829696 "PREDICTED: early activation antigen CD69 [Pan paniscus]" 100.00 199 99.23 100.00 3.98e-91 REF XP_004052729 "PREDICTED: early activation antigen CD69 [Gorilla gorilla gorilla]" 100.00 199 98.46 99.23 2.26e-90 SP Q07108 "RecName: Full=Early activation antigen CD69; AltName: Full=Activation inducer molecule; Short=AIM; AltName: Full=BL-AC/P26; Alt" 100.00 199 100.00 100.00 9.54e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CD69 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CD69 'recombinant technology' . Escherichia coli . pRSETB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD69 0.9 mM '[U-13C; U-15N]' 'sodium azide' 1 mM 'natural abundance' D2O 10 % '[U-99% 2H]' 'sodium chloride' 50 mM 'natural abundance' MES 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CD69 0.65 mM [U-15N] 'sodium azide' 1 mM 'natural abundance' D2O 10 % '[U-99% 2H]' 'sodium chloride' 50 mM 'natural abundance' MES 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.111 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' 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_RELAX _Saveframe_category software _Name Relax _Version 1.2.6 loop_ _Vendor _Address _Electronic_address d'Auvergne . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_T1_6 _Saveframe_category NMR_applied_experiment _Experiment_name T1 _Sample_label $sample_2 save_ save_T2_7 _Saveframe_category NMR_applied_experiment _Experiment_name T2 _Sample_label $sample_2 save_ save_ssNOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name ssNOE _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 60 . mM pH 5.8 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CD69 _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 H H 8.340 0.001 1 2 3 3 TYR CA C 57.567 0.043 1 3 3 3 TYR CB C 38.805 0.013 1 4 3 3 TYR N N 121.575 0.009 1 5 4 4 THR H H 7.899 0.002 1 6 4 4 THR CA C 61.606 0.081 1 7 4 4 THR CB C 69.860 0.019 1 8 4 4 THR N N 117.065 0.012 1 9 5 5 PHE H H 8.070 0.002 1 10 5 5 PHE CA C 57.494 0.067 1 11 5 5 PHE CB C 39.597 0.011 1 12 5 5 PHE N N 122.657 0.007 1 13 6 6 SER H H 8.070 0.002 1 14 6 6 SER CA C 57.833 0.067 1 15 6 6 SER CB C 63.940 0.026 1 16 6 6 SER N N 117.864 0.038 1 17 7 7 MET H H 8.271 0.002 1 18 7 7 MET CA C 53.314 0.000 1 19 7 7 MET CB C 32.485 0.000 1 20 7 7 MET N N 123.414 0.027 1 21 8 8 PRO CA C 63.382 0.008 1 22 8 8 PRO CB C 31.962 0.005 1 23 9 9 SER H H 8.330 0.001 1 24 9 9 SER CA C 58.475 0.063 1 25 9 9 SER CB C 63.767 0.086 1 26 9 9 SER N N 115.829 0.009 1 27 10 10 ASP H H 8.239 0.002 1 28 10 10 ASP CA C 54.195 0.060 1 29 10 10 ASP CB C 41.108 0.002 1 30 10 10 ASP N N 122.347 0.017 1 31 11 11 SER H H 8.112 0.002 1 32 11 11 SER CA C 58.573 0.073 1 33 11 11 SER CB C 63.685 0.034 1 34 11 11 SER N N 116.059 0.011 1 35 12 12 HIS H H 8.407 0.002 1 36 12 12 HIS CA C 55.665 0.051 1 37 12 12 HIS CB C 29.154 0.024 1 38 12 12 HIS N N 120.830 0.011 1 39 13 13 VAL H H 8.025 0.002 1 40 13 13 VAL CA C 62.213 0.087 1 41 13 13 VAL CB C 32.757 0.021 1 42 13 13 VAL N N 121.312 0.010 1 43 14 14 SER H H 8.303 0.003 1 44 14 14 SER CA C 57.855 0.046 1 45 14 14 SER CB C 64.005 0.073 1 46 14 14 SER N N 119.690 0.021 1 47 15 15 SER H H 8.189 0.004 1 48 15 15 SER CA C 60.997 0.098 1 49 15 15 SER CB C 68.684 0.179 1 50 15 15 SER N N 108.825 0.084 1 51 16 16 CYS H H 7.517 0.004 1 52 16 16 CYS CA C 59.745 0.088 1 53 16 16 CYS CB C 35.002 0.018 1 54 16 16 CYS N N 117.726 0.044 1 55 17 17 SER H H 8.790 0.003 1 56 17 17 SER CA C 56.517 0.075 1 57 17 17 SER N N 126.559 0.050 1 58 23 23 TYR H H 9.204 0.000 1 59 23 23 TYR N N 124.716 0.000 1 60 30 30 ILE H H 6.685 0.000 1 61 30 30 ILE CA C 60.232 0.059 1 62 30 30 ILE CB C 39.929 0.000 1 63 30 30 ILE N N 117.069 0.000 1 64 31 31 SER H H 8.131 0.005 1 65 31 31 SER CA C 58.365 0.062 1 66 31 31 SER CB C 62.978 0.038 1 67 31 31 SER N N 122.607 0.058 1 68 32 32 THR H H 8.340 0.005 1 69 32 32 THR CA C 61.015 0.078 1 70 32 32 THR CB C 68.958 0.071 1 71 32 32 THR N N 106.322 0.031 1 72 33 33 VAL H H 7.026 0.006 1 73 33 33 VAL CA C 59.127 0.013 1 74 33 33 VAL CB C 35.297 0.026 1 75 33 33 VAL N N 115.338 0.051 1 76 34 34 LYS H H 8.207 0.002 1 77 34 34 LYS CA C 55.214 0.031 1 78 34 34 LYS CB C 34.069 0.017 1 79 34 34 LYS N N 119.422 0.030 1 80 35 35 ARG H H 9.375 0.003 1 81 35 35 ARG CA C 55.071 0.078 1 82 35 35 ARG CB C 37.605 0.038 1 83 35 35 ARG N N 122.233 0.035 1 84 36 36 SER H H 8.477 0.004 1 85 36 36 SER CA C 57.773 0.056 1 86 36 36 SER CB C 64.343 0.000 1 87 36 36 SER N N 118.110 0.112 1 88 37 37 TRP H H 8.216 0.012 1 89 37 37 TRP CA C 63.389 0.061 1 90 37 37 TRP CB C 31.782 0.032 1 91 37 37 TRP N N 122.327 0.028 1 92 38 38 THR H H 8.432 0.002 1 93 38 38 THR CA C 66.363 0.041 1 94 38 38 THR CB C 68.579 0.023 1 95 38 38 THR N N 109.506 0.027 1 96 39 39 SER H H 7.445 0.002 1 97 39 39 SER CA C 61.308 0.082 1 98 39 39 SER CB C 62.879 0.065 1 99 39 39 SER N N 118.068 0.030 1 100 40 40 ALA H H 8.665 0.003 1 101 40 40 ALA CA C 54.559 0.053 1 102 40 40 ALA CB C 17.254 0.044 1 103 40 40 ALA N N 128.405 0.042 1 104 41 41 GLN H H 8.009 0.007 1 105 41 41 GLN CA C 58.430 0.056 1 106 41 41 GLN CB C 25.970 0.060 1 107 41 41 GLN N N 118.793 0.100 1 108 42 42 ASN H H 7.695 0.005 1 109 42 42 ASN CA C 55.939 0.064 1 110 42 42 ASN CB C 37.664 0.041 1 111 42 42 ASN N N 118.545 0.068 1 112 43 43 ALA H H 7.770 0.002 1 113 43 43 ALA CA C 55.281 0.047 1 114 43 43 ALA CB C 17.796 0.046 1 115 43 43 ALA N N 124.720 0.021 1 116 44 44 CYS H H 8.652 0.002 1 117 44 44 CYS CA C 56.571 0.051 1 118 44 44 CYS CB C 35.300 0.032 1 119 44 44 CYS N N 116.590 0.063 1 120 45 45 SER H H 8.678 0.006 1 121 45 45 SER CA C 61.879 0.133 1 122 45 45 SER CB C 62.655 0.007 1 123 45 45 SER N N 119.984 0.056 1 124 46 46 GLU H H 7.852 0.006 1 125 46 46 GLU CA C 58.726 0.046 1 126 46 46 GLU CB C 29.248 0.036 1 127 46 46 GLU N N 123.429 0.060 1 128 47 47 HIS H H 7.485 0.003 1 129 47 47 HIS CA C 55.080 0.060 1 130 47 47 HIS CB C 30.171 0.062 1 131 47 47 HIS N N 115.220 0.068 1 132 48 48 GLY H H 7.960 0.003 1 133 48 48 GLY CA C 46.500 0.021 1 134 48 48 GLY N N 108.692 0.039 1 135 49 49 ALA H H 7.878 0.002 1 136 49 49 ALA CA C 49.484 0.073 1 137 49 49 ALA CB C 23.145 0.019 1 138 49 49 ALA N N 121.009 0.017 1 139 50 50 THR H H 8.301 0.006 1 140 50 50 THR CA C 60.281 0.186 1 141 50 50 THR N N 111.755 0.103 1 142 51 51 LEU CA C 57.468 0.003 1 143 52 52 ALA H H 8.705 0.004 1 144 52 52 ALA CA C 54.301 0.083 1 145 52 52 ALA CB C 19.473 0.026 1 146 52 52 ALA N N 119.968 0.071 1 147 53 53 VAL H H 7.858 0.008 1 148 53 53 VAL CA C 61.132 0.049 1 149 53 53 VAL N N 121.387 0.102 1 150 54 54 ILE CA C 61.209 0.044 1 151 54 54 ILE CB C 39.089 0.000 1 152 55 55 ASP H H 9.193 0.009 1 153 55 55 ASP CA C 56.004 0.102 1 154 55 55 ASP CB C 43.288 0.036 1 155 55 55 ASP N N 125.519 0.123 1 156 56 56 SER H H 7.963 0.006 1 157 56 56 SER CA C 56.438 0.065 1 158 56 56 SER CB C 67.383 0.047 1 159 56 56 SER N N 113.129 0.018 1 160 57 57 GLU H H 8.927 0.002 1 161 57 57 GLU CA C 59.477 0.106 1 162 57 57 GLU CB C 29.415 0.040 1 163 57 57 GLU N N 122.291 0.033 1 164 58 58 LYS H H 7.967 0.003 1 165 58 58 LYS CA C 60.283 0.041 1 166 58 58 LYS CB C 32.125 0.134 1 167 58 58 LYS N N 118.682 0.023 1 168 59 59 ASP H H 7.885 0.010 1 169 59 59 ASP N N 121.041 0.058 1 170 60 60 MET CA C 58.477 0.060 1 171 60 60 MET CB C 32.567 0.075 1 172 61 61 ASN H H 8.650 0.005 1 173 61 61 ASN CA C 56.008 0.091 1 174 61 61 ASN CB C 37.782 0.025 1 175 61 61 ASN N N 117.351 0.053 1 176 62 62 PHE H H 7.634 0.004 1 177 62 62 PHE CA C 60.729 0.069 1 178 62 62 PHE CB C 39.672 0.000 1 179 62 62 PHE N N 121.517 0.040 1 180 63 63 LEU H H 8.104 0.004 1 181 63 63 LEU CA C 57.713 0.280 1 182 63 63 LEU CB C 42.451 0.062 1 183 63 63 LEU N N 119.283 0.056 1 184 64 64 LYS H H 8.273 0.003 1 185 64 64 LYS CA C 60.669 0.046 1 186 64 64 LYS CB C 33.320 0.051 1 187 64 64 LYS N N 117.143 0.154 1 188 65 65 ARG H H 7.020 0.003 1 189 65 65 ARG CA C 58.555 0.046 1 190 65 65 ARG CB C 29.546 0.000 1 191 65 65 ARG N N 116.418 0.073 1 192 66 66 TYR CA C 59.764 0.212 1 193 66 66 TYR CB C 43.629 0.000 1 194 67 67 ALA H H 8.308 0.007 1 195 67 67 ALA CA C 54.362 0.146 1 196 67 67 ALA CB C 18.344 0.006 1 197 67 67 ALA N N 119.358 0.090 1 198 68 68 GLY H H 6.904 0.003 1 199 68 68 GLY CA C 45.403 0.018 1 200 68 68 GLY N N 101.470 0.073 1 201 69 69 ARG H H 8.331 0.004 1 202 69 69 ARG CA C 55.139 0.000 1 203 69 69 ARG CB C 30.426 0.000 1 204 69 69 ARG N N 120.829 0.234 1 205 71 71 GLU CA C 58.968 0.124 1 206 71 71 GLU CB C 29.418 0.082 1 207 72 72 HIS H H 9.285 0.005 1 208 72 72 HIS CA C 54.557 0.050 1 209 72 72 HIS CB C 31.636 0.043 1 210 72 72 HIS N N 120.107 0.053 1 211 73 73 TRP H H 9.974 0.007 1 212 73 73 TRP CA C 58.201 0.088 1 213 73 73 TRP CB C 32.980 0.071 1 214 73 73 TRP N N 124.489 0.070 1 215 74 74 VAL H H 8.813 0.003 1 216 74 74 VAL CA C 60.234 0.079 1 217 74 74 VAL CB C 34.384 0.051 1 218 74 74 VAL N N 110.353 0.050 1 219 75 75 GLY H H 9.608 0.016 1 220 75 75 GLY CA C 50.276 0.126 1 221 75 75 GLY N N 108.429 0.093 1 222 76 76 LEU H H 7.611 0.003 1 223 76 76 LEU CA C 54.076 0.000 1 224 76 76 LEU CB C 45.316 0.000 1 225 76 76 LEU N N 124.033 0.048 1 226 77 77 LYS H H 7.996 0.000 1 227 77 77 LYS CA C 55.104 0.052 1 228 77 77 LYS CB C 35.855 0.002 1 229 77 77 LYS N N 122.134 0.000 1 230 78 78 LYS H H 8.626 0.004 1 231 78 78 LYS CA C 54.054 0.077 1 232 78 78 LYS CB C 33.880 0.031 1 233 78 78 LYS N N 125.468 0.029 1 234 79 79 GLU H H 7.755 0.002 1 235 79 79 GLU CA C 52.895 0.058 1 236 79 79 GLU CB C 29.510 0.000 1 237 79 79 GLU N N 122.604 0.048 1 238 82 82 HIS H H 8.081 0.000 1 239 82 82 HIS N N 119.289 0.000 1 240 83 83 PRO CA C 62.077 0.083 1 241 83 83 PRO CB C 32.719 0.066 1 242 84 84 TRP H H 7.668 0.006 1 243 84 84 TRP CA C 58.064 0.098 1 244 84 84 TRP CB C 31.508 0.043 1 245 84 84 TRP N N 118.551 0.023 1 246 85 85 LYS H H 8.633 0.002 1 247 85 85 LYS CA C 55.541 0.031 1 248 85 85 LYS CB C 36.710 0.011 1 249 85 85 LYS N N 121.190 0.016 1 250 86 86 TRP H H 8.940 0.002 1 251 86 86 TRP CA C 56.870 0.061 1 252 86 86 TRP CB C 32.676 0.021 1 253 86 86 TRP N N 122.208 0.034 1 254 87 87 SER H H 9.350 0.004 1 255 87 87 SER CA C 60.506 0.062 1 256 87 87 SER CB C 62.770 0.015 1 257 87 87 SER N N 118.545 0.028 1 258 88 88 ASN H H 7.383 0.003 1 259 88 88 ASN CA C 52.090 0.058 1 260 88 88 ASN CB C 38.076 0.003 1 261 88 88 ASN N N 117.154 0.036 1 262 89 89 GLY H H 8.506 0.003 1 263 89 89 GLY CA C 45.251 0.042 1 264 89 89 GLY N N 108.435 0.044 1 265 90 90 LYS H H 7.639 0.002 1 266 90 90 LYS CA C 56.533 0.067 1 267 90 90 LYS CB C 33.227 0.008 1 268 90 90 LYS N N 121.101 0.034 1 269 91 91 GLU H H 8.876 0.002 1 270 91 91 GLU CA C 57.557 0.075 1 271 91 91 GLU CB C 30.260 0.000 1 272 91 91 GLU N N 122.804 0.024 1 273 92 92 PHE H H 8.387 0.003 1 274 92 92 PHE CA C 55.094 0.060 1 275 92 92 PHE CB C 40.640 0.005 1 276 92 92 PHE N N 124.066 0.058 1 277 93 93 ASN H H 8.558 0.003 1 278 93 93 ASN CA C 52.254 0.019 1 279 93 93 ASN CB C 37.575 0.000 1 280 93 93 ASN N N 127.100 0.062 1 281 94 94 ASN CA C 55.681 0.071 1 282 94 94 ASN CB C 36.255 0.013 1 283 95 95 TRP H H 6.784 0.002 1 284 95 95 TRP CA C 58.781 0.039 1 285 95 95 TRP CB C 27.201 0.122 1 286 95 95 TRP N N 114.526 0.027 1 287 96 96 PHE H H 6.291 0.004 1 288 96 96 PHE CA C 54.905 0.051 1 289 96 96 PHE CB C 40.467 0.135 1 290 96 96 PHE N N 114.138 0.063 1 291 97 97 ASN H H 8.447 0.003 1 292 97 97 ASN CA C 52.599 0.121 1 293 97 97 ASN CB C 40.204 0.054 1 294 97 97 ASN N N 117.758 0.032 1 295 98 98 VAL H H 8.116 0.002 1 296 98 98 VAL CA C 61.724 0.090 1 297 98 98 VAL CB C 33.320 0.069 1 298 98 98 VAL N N 123.590 0.031 1 299 99 99 THR H H 8.040 0.005 1 300 99 99 THR CA C 61.309 0.117 1 301 99 99 THR CB C 70.174 0.045 1 302 99 99 THR N N 118.523 0.040 1 303 100 100 GLY H H 8.507 0.003 1 304 100 100 GLY CA C 44.651 0.040 1 305 100 100 GLY N N 106.758 0.033 1 306 101 101 SER H H 8.750 0.002 1 307 101 101 SER CA C 57.535 0.061 1 308 101 101 SER CB C 64.220 0.034 1 309 101 101 SER N N 113.366 0.019 1 310 102 102 ASP H H 7.948 0.003 1 311 102 102 ASP CA C 54.278 0.024 1 312 102 102 ASP CB C 44.213 0.029 1 313 102 102 ASP N N 123.448 0.043 1 314 103 103 LYS H H 8.687 0.008 1 315 103 103 LYS CA C 58.931 0.042 1 316 103 103 LYS CB C 33.510 0.043 1 317 103 103 LYS N N 114.982 0.067 1 318 104 104 CYS H H 7.359 0.005 1 319 104 104 CYS CA C 59.634 0.082 1 320 104 104 CYS CB C 48.522 0.014 1 321 104 104 CYS N N 113.474 0.011 1 322 105 105 VAL H H 7.506 0.004 1 323 105 105 VAL CA C 62.964 0.048 1 324 105 105 VAL CB C 33.440 0.067 1 325 105 105 VAL N N 122.712 0.046 1 326 106 106 PHE H H 8.642 0.004 1 327 106 106 PHE CA C 54.428 0.100 1 328 106 106 PHE CB C 43.940 0.034 1 329 106 106 PHE N N 123.162 0.049 1 330 107 107 LEU H H 9.301 0.007 1 331 107 107 LEU CA C 53.320 0.077 1 332 107 107 LEU CB C 47.153 0.065 1 333 107 107 LEU N N 116.853 0.070 1 334 108 108 LYS H H 8.670 0.006 1 335 108 108 LYS CA C 55.311 0.036 1 336 108 108 LYS CB C 35.191 0.053 1 337 108 108 LYS N N 119.037 0.116 1 338 109 109 ASN H H 8.962 0.006 1 339 109 109 ASN CA C 56.275 0.135 1 340 109 109 ASN CB C 36.678 0.024 1 341 109 109 ASN N N 117.839 0.121 1 342 110 110 THR H H 7.452 0.008 1 343 110 110 THR CA C 61.591 0.099 1 344 110 110 THR CB C 70.016 0.046 1 345 110 110 THR N N 105.620 0.095 1 346 111 111 GLU H H 7.376 0.004 1 347 111 111 GLU CA C 56.517 0.094 1 348 111 111 GLU CB C 33.314 0.011 1 349 111 111 GLU N N 119.995 0.047 1 350 112 112 VAL H H 7.755 0.003 1 351 112 112 VAL CA C 61.584 0.078 1 352 112 112 VAL CB C 32.449 0.170 1 353 112 112 VAL N N 121.493 0.077 1 354 113 113 SER H H 7.735 0.004 1 355 113 113 SER CA C 54.995 0.063 1 356 113 113 SER CB C 64.100 0.042 1 357 113 113 SER N N 120.037 0.051 1 358 114 114 SER H H 8.271 0.003 1 359 114 114 SER CA C 55.913 0.101 1 360 114 114 SER CB C 67.854 0.013 1 361 114 114 SER N N 112.288 0.033 1 362 115 115 MET H H 9.594 0.003 1 363 115 115 MET CA C 55.083 0.058 1 364 115 115 MET CB C 37.119 0.008 1 365 115 115 MET N N 121.886 0.023 1 366 116 116 GLU H H 8.578 0.003 1 367 116 116 GLU CA C 58.460 0.048 1 368 116 116 GLU CB C 29.503 0.064 1 369 116 116 GLU N N 123.466 0.039 1 370 117 117 CYS H H 8.252 0.005 1 371 117 117 CYS CA C 58.047 0.071 1 372 117 117 CYS CB C 46.275 0.021 1 373 117 117 CYS N N 121.337 0.097 1 374 118 118 GLU H H 8.734 0.002 1 375 118 118 GLU CA C 57.573 0.064 1 376 118 118 GLU CB C 29.135 0.047 1 377 118 118 GLU N N 117.192 0.026 1 378 119 119 LYS H H 7.891 0.009 1 379 119 119 LYS CA C 56.661 0.114 1 380 119 119 LYS CB C 32.032 0.031 1 381 119 119 LYS N N 121.044 0.098 1 382 120 120 ASN H H 8.318 0.002 1 383 120 120 ASN CA C 52.156 0.055 1 384 120 120 ASN CB C 38.385 0.006 1 385 120 120 ASN N N 118.140 0.093 1 386 121 121 LEU H H 8.244 0.004 1 387 121 121 LEU CA C 53.537 0.071 1 388 121 121 LEU CB C 44.993 0.030 1 389 121 121 LEU N N 126.395 0.118 1 390 122 122 TYR H H 6.514 0.005 1 391 122 122 TYR CA C 59.009 0.047 1 392 122 122 TYR CB C 39.569 0.037 1 393 122 122 TYR N N 117.556 0.057 1 394 123 123 TRP H H 8.763 0.007 1 395 123 123 TRP CA C 57.640 0.073 1 396 123 123 TRP CB C 34.225 0.057 1 397 123 123 TRP N N 115.621 0.076 1 398 124 124 ILE H H 7.820 0.003 1 399 124 124 ILE CA C 59.578 0.094 1 400 124 124 ILE CB C 41.923 0.050 1 401 124 124 ILE N N 117.734 0.081 1 402 125 125 CYS H H 9.727 0.008 1 403 125 125 CYS CA C 52.168 0.055 1 404 125 125 CYS CB C 41.052 0.068 1 405 125 125 CYS N N 123.127 0.083 1 406 126 126 ASN H H 9.764 0.006 1 407 126 126 ASN CA C 52.945 0.059 1 408 126 126 ASN CB C 41.703 0.000 1 409 126 126 ASN N N 115.796 0.022 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name CD69 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 THR N 0.96812 0.07241 2 5 PHE N 0.42407 0.00489 3 6 SER N 1.36413 0.03639 4 7 MET N 1.30974 0.01733 5 9 SER N 1.56673 0.03677 6 11 SER N 1.55257 0.01242 7 12 HIS N 1.42688 0.05820 8 13 VAL N 1.45259 0.02293 9 14 SER N 1.44950 0.02380 10 15 SER N 1.21604 0.09828 11 16 CYS N 0.94135 0.05191 12 17 SER N 0.94439 0.06341 13 23 TYR N 0.86881 0.04313 14 30 ILE N 1.01247 0.14004 15 32 THR N 1.02781 0.03598 16 33 VAL N 0.96364 0.02115 17 34 LYS N 0.99027 0.01884 18 35 ARG N 0.95021 0.03070 19 38 THR N 0.92306 0.01934 20 39 SER N 0.99823 0.01870 21 40 ALA N 0.98535 0.01802 22 41 GLN N 0.91696 0.01744 23 43 ALA N 0.97444 0.01383 24 44 CYS N 0.89001 0.01775 25 45 SER N 1.01649 0.01595 26 46 GLU N 1.01676 0.01681 27 47 HIS N 0.88077 0.01537 28 48 GLY N 0.93191 0.01967 29 50 THR N 0.86556 0.05332 30 52 ALA N 0.92265 0.02859 31 55 ASP N 0.83776 0.07995 32 56 SER N 0.92754 0.03092 33 58 LYS N 0.99247 0.01581 34 61 ASN N 0.95393 0.03145 35 62 PHE N 0.96496 0.01843 36 64 LYS N 1.00025 0.02928 37 65 ARG N 0.97709 0.01968 38 68 GLY N 0.99752 0.02999 39 72 HIS N 0.96697 0.05922 40 73 TRP N 0.91622 0.04896 41 74 VAL N 0.87063 0.02492 42 75 GLY N 0.80987 0.08804 43 76 LEU N 0.88475 0.02230 44 78 LYS N 0.94346 0.03018 45 79 GLU N 1.02157 0.02009 46 82 HIS N 0.98700 0.00755 47 85 LYS N 0.97092 0.01522 48 87 SER N 0.91939 0.03017 49 88 ASN N 0.98565 0.01658 50 89 GLY N 0.92446 0.01425 51 90 LYS N 0.89057 0.00942 52 91 GLU N 0.96938 0.00892 53 92 PHE N 0.92545 0.02044 54 93 ASN N 0.90707 0.02211 55 95 TRP N 0.96987 0.01732 56 96 PHE N 0.92349 0.01107 57 97 ASN N 0.84068 0.01421 58 98 VAL N 0.77474 0.01078 59 99 THR N 0.91378 0.01301 60 100 GLY N 0.98534 0.01772 61 101 SER N 0.92291 0.01542 62 102 ASP N 0.84699 0.01512 63 103 LYS N 0.87974 0.08496 64 104 CYS N 0.93398 0.02255 65 105 VAL N 0.91276 0.02653 66 106 PHE N 0.95593 0.02461 67 107 LEU N 1.00039 0.05434 68 110 THR N 1.01937 0.03957 69 111 GLU N 0.93328 0.02191 70 112 VAL N 0.94043 0.02100 71 113 SER N 0.97770 0.02371 72 114 SER N 0.97062 0.01429 73 115 MET N 1.01712 0.02335 74 116 GLU N 0.92425 0.02116 75 117 CYS N 0.84949 0.01473 76 118 GLU N 0.91913 0.01157 77 120 ASN N 0.90795 0.01831 78 121 LEU N 0.84870 0.03780 79 122 TYR N 0.92865 0.06046 80 123 TRP N 0.90261 0.03371 81 124 ILE N 0.88974 0.03622 82 125 CYS N 0.81442 0.05466 83 126 ASN N 0.80879 0.03065 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s-1 _Mol_system_component_name CD69 _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 4 THR N 2.51775 0.32436 . . 2 5 PHE N 0.89464 0.03078 . . 3 6 SER N 14.20858 0.85190 . . 4 7 MET N 3.87734 0.10996 . . 5 9 SER N 5.07397 0.22852 . . 6 11 SER N 5.63479 0.08275 . . 7 12 HIS N 7.96052 0.64408 . . 8 13 VAL N 8.73288 0.28980 . . 9 14 SER N 12.52560 0.50706 . . 10 15 SER N 14.39569 3.20461 . . 11 16 CYS N 18.83893 3.03966 . . 12 17 SER N 16.24188 3.78374 . . 13 23 TYR N 19.03977 2.92120 . . 14 30 ILE N 17.84827 8.72504 . . 15 32 THR N 16.81839 1.57642 . . 16 33 VAL N 17.92645 1.21175 . . 17 34 LYS N 16.32116 0.91514 . . 18 35 ARG N 17.21805 1.66044 . . 19 37 TRP N 6.69937 0.13520 . . 20 38 THR N 18.39994 1.14461 . . 21 39 SER N 20.38333 1.14618 . . 22 40 ALA N 19.92301 1.21734 . . 23 41 GLN N 19.67171 1.02209 . . 24 43 ALA N 18.71607 0.78301 . . 25 44 CYS N 18.52845 1.08880 . . 26 45 SER N 20.85543 1.15175 . . 27 46 GLU N 18.79955 0.95171 . . 28 47 HIS N 18.50056 0.90276 . . 29 48 GLY N 19.34182 1.20082 . . 30 50 THR N 25.41649 5.77308 . . 31 52 ALA N 20.85593 1.84818 . . 32 55 ASP N 23.69390 6.36323 . . 33 56 SER N 16.54964 1.50547 . . 34 58 LYS N 19.90172 0.90448 . . 35 61 ASN N 18.87816 1.93216 . . 36 62 PHE N 21.05250 1.34607 . . 37 64 LYS N 18.70205 1.55930 . . 38 65 ARG N 19.16270 1.25125 . . 39 68 GLY N 17.07941 1.38679 . . 40 72 HIS N 18.22731 3.88982 . . 41 73 TRP N 18.90778 3.31628 . . 42 74 VAL N 20.65001 1.79318 . . 43 75 GLY N 23.44627 9.47290 . . 44 76 LEU N 18.87972 1.42719 . . 45 78 LYS N 19.46310 1.93149 . . 46 79 GLU N 21.25737 1.41047 . . 47 82 HIS N 17.85301 0.36037 . . 48 85 LYS N 16.88728 0.82265 . . 49 87 SER N 18.80019 1.93940 . . 50 88 ASN N 18.24997 0.94922 . . 51 89 GLY N 17.78865 0.82695 . . 52 90 LYS N 19.75798 0.61136 . . 53 91 GLU N 15.96690 0.41146 . . 54 92 PHE N 16.76745 0.97491 . . 55 93 ASN N 20.79213 1.44615 . . 56 95 TRP N 19.02015 1.04101 . . 57 96 PHE N 21.43484 0.88174 . . 58 97 ASN N 18.97982 0.88939 . . 59 98 VAL N 16.62992 0.63384 . . 60 99 THR N 20.75740 0.90413 . . 61 100 GLY N 21.00002 1.12381 . . 62 101 SER N 15.60569 0.66092 . . 63 102 ASP N 18.32704 0.94057 . . 64 103 LYS N 18.83031 6.04233 . . 65 104 CYS N 22.65997 1.82494 . . 66 105 VAL N 17.87420 1.69199 . . 67 106 PHE N 18.31450 1.35241 . . 68 107 LEU N 19.92487 4.21093 . . 69 110 THR N 16.48943 1.96635 . . 70 111 GLU N 18.31785 1.36770 . . 71 112 VAL N 17.29182 1.02939 . . 72 113 SER N 18.86317 1.27019 . . 73 114 SER N 18.44803 0.77253 . . 74 115 MET N 19.41449 1.57980 . . 75 116 GLU N 17.79432 1.27326 . . 76 117 CYS N 18.54154 0.92654 . . 77 118 GLU N 19.60836 0.74593 . . 78 120 ASN N 17.28365 1.03296 . . 79 121 LEU N 17.31241 1.90582 . . 80 122 TYR N 18.43128 3.62294 . . 81 123 TRP N 19.32486 2.18740 . . 82 124 ILE N 20.33339 2.45817 . . 83 125 CYS N 23.31710 5.46944 . . 84 126 ASN N 22.36044 2.73691 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label ssNOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name CD69 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 THR -2.89825 0.83977 5 PHE -1.69568 0.05875 6 SER 0.46320 0.05429 7 MET -0.43109 0.05574 9 SER -0.14744 0.06820 11 SER -0.08656 0.02002 12 HIS 0.15925 0.06826 13 VAL 0.27623 0.04099 14 SER 0.35589 0.03865 15 SER 0.58364 0.17601 16 CYS 0.78631 0.13752 17 SER 0.72391 0.15778 23 TYR 0.81970 0.09592 30 ILE 0.65313 0.26203 32 THR 0.72847 0.07090 33 VAL 0.78185 0.05385 34 LYS 0.71340 0.04728 35 ARG 0.76922 0.06818 38 THR 0.78101 0.04576 39 SER 0.82028 0.04588 40 ALA 0.82413 0.04619 41 GLN 0.77867 0.03817 43 ALA 0.80913 0.04105 44 CYS 0.82427 0.04517 45 SER 0.82440 0.03999 46 GLU 0.79220 0.04768 47 HIS 0.76132 0.04193 48 GLY 0.80026 0.04975 50 THR 0.80152 0.13954 52 ALA 0.82840 0.07356 55 ASP 0.74700 0.14263 56 SER 0.72388 0.06678 58 LYS 0.76214 0.03519 61 ASN 0.80234 0.07099 62 PHE 0.83846 0.04847 64 LYS 0.83136 0.07410 65 ARG 0.81341 0.05312 68 GLY 0.75542 0.06560 72 HIS 0.92966 0.14258 73 TRP 0.80540 0.10734 74 VAL 0.80884 0.06253 75 GLY 0.83311 0.16502 76 LEU 0.76673 0.06104 78 LYS 0.74537 0.06592 79 GLU 0.60158 0.04837 82 HIS 0.69939 0.01680 85 LYS 0.72897 0.03961 87 SER 0.78946 0.06958 88 ASN 0.77056 0.04000 89 GLY 0.73806 0.03572 90 LYS 0.72268 0.02908 91 GLU 0.58481 0.02744 92 PHE 0.45908 0.04423 93 ASN 0.66350 0.04188 95 TRP 0.83712 0.04209 96 PHE 0.78808 0.02948 97 ASN 0.75657 0.03722 98 VAL 0.61547 0.03184 99 THR 0.75040 0.02996 100 GLY 0.65838 0.03592 101 SER 0.63184 0.03638 102 ASP 0.70961 0.03963 103 LYS 0.90330 0.18444 104 CYS 0.76929 0.05383 105 VAL 0.80327 0.06687 106 PHE 0.78587 0.04943 107 LEU 0.80356 0.12094 110 THR 0.72478 0.07917 111 GLU 0.67100 0.05664 112 VAL 0.61335 0.05400 113 SER 0.75238 0.05396 114 SER 0.72201 0.03467 115 MET 0.82107 0.05679 116 GLU 0.71494 0.05007 117 CYS 0.73750 0.03973 118 GLU 0.75433 0.03151 120 ASN 0.78724 0.04963 121 LEU 0.80273 0.08282 122 TYR 0.73122 0.11996 123 TRP 0.75283 0.07191 124 ILE 0.86275 0.09035 125 CYS 0.82581 0.11007 126 ASN 0.77604 0.06571 stop_ save_