data_5503 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H resonance assignment of the C-terminal domain of Human Centrin2 (LC-HsCen2: M84-Y172) ; _BMRB_accession_number 5503 _BMRB_flat_file_name bmr5503.str _Entry_type original _Submission_date 2002-08-20 _Accession_date 2002-08-20 _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 Matei E. . . 2 Miron S. . . 3 Blouquit Y. . . 4 Duchambon P. . . 5 Durussel P. . . 6 Cox J. A. . 7 Craescu C. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 460 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-03-14 original author . stop_ _Original_release_date 2003-03-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'C-terminal Half of Human Centrin 2 Behaves like a Regulatory EF-hand Domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22466550 _PubMed_ID 12578356 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matei E. . . 2 Miron S. . . 3 Blouquit Y. . . 4 Duchambon P. . . 5 Durussel P. . . 6 Cox J. A. . 7 Craescu C. T. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1439 _Page_last 1450 _Year 2003 _Details . loop_ _Keyword 'NMR, nuclear magnetic resonance' protein 'resonance assignment' 'human centrin' stop_ save_ ################################## # Molecular system description # ################################## save_system_human_centrin2 _Saveframe_category molecular_system _Mol_system_name 'Human centrin2' _Abbreviation_common HsCen2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human centrin2' $HsCen2 stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HsCen2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human centrin2' _Name_variant 'Caltractin, isoform 1' _Abbreviation_common HsCen2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MNFGDFLTVMTQKMSEKDTK EEILKAFKLFDDDETGKISF KNLKRVAKELGENLTDEELQ EMIDEADRDGDGEVSEQEFL RIMKKTSLY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 84 MET 2 85 ASN 3 86 PHE 4 87 GLY 5 88 ASP 6 89 PHE 7 90 LEU 8 91 THR 9 92 VAL 10 93 MET 11 94 THR 12 95 GLN 13 96 LYS 14 97 MET 15 98 SER 16 99 GLU 17 100 LYS 18 101 ASP 19 102 THR 20 103 LYS 21 104 GLU 22 105 GLU 23 106 ILE 24 107 LEU 25 108 LYS 26 109 ALA 27 110 PHE 28 111 LYS 29 112 LEU 30 113 PHE 31 114 ASP 32 115 ASP 33 116 ASP 34 117 GLU 35 118 THR 36 119 GLY 37 120 LYS 38 121 ILE 39 122 SER 40 123 PHE 41 124 LYS 42 125 ASN 43 126 LEU 44 127 LYS 45 128 ARG 46 129 VAL 47 130 ALA 48 131 LYS 49 132 GLU 50 133 LEU 51 134 GLY 52 135 GLU 53 136 ASN 54 137 LEU 55 138 THR 56 139 ASP 57 140 GLU 58 141 GLU 59 142 LEU 60 143 GLN 61 144 GLU 62 145 MET 63 146 ILE 64 147 ASP 65 148 GLU 66 149 ALA 67 150 ASP 68 151 ARG 69 152 ASP 70 153 GLY 71 154 ASP 72 155 GLY 73 156 GLU 74 157 VAL 75 158 SER 76 159 GLU 77 160 GLN 78 161 GLU 79 162 PHE 80 163 LEU 81 164 ARG 82 165 ILE 83 166 MET 84 167 LYS 85 168 LYS 86 169 THR 87 170 SER 88 171 LEU 89 172 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 15755 C-HsCen2 88.76 79 100.00 100.00 9.92e-46 PDB 1M39 "Solution Structure Of The C-Terminal Fragment (F86-I165) Of The Human Centrin 2 In Calcium Saturated Form" 100.00 89 100.00 100.00 7.41e-54 PDB 2A4J "Solution Structure Of The C-Terminal Domain (T94-Y172) Of The Human Centrin 2 In Complex With A 17 Residues Peptide (P1-Xpc) Fr" 87.64 79 100.00 100.00 1.66e-44 PDB 2K2I "Nmr Solution Structure Of The C-Terminal Domain (T94-Y172) Of The Human Centrin 2 In Complex With A Repeat Sequence Of Human Sf" 87.64 79 100.00 100.00 1.66e-44 GB EPY78459 "hypothetical protein CB1_001064001 [Camelus ferus]" 100.00 116 97.75 98.88 4.53e-52 GB ERE65656 "centrin-2-like protein [Cricetulus griseus]" 100.00 116 97.75 98.88 4.53e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HsCen2 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 $HsCen2 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET24a(+) 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 $HsCen2 1.5 mM . Tris_d11 20 mM [U-2H] NaCl 100 mM . H2O 95 % . D2O 5 % . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HsCen2 1.4 mM . Tris_d11 20 mM [U-2H] NaCl 100 mM . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_DGII _Saveframe_category software _Name DGII _Version I2000 loop_ _Task 'structure solution' stop_ _Details Accelrys save_ save_DISCOVER _Saveframe_category software _Name DISCOVER _Version I2000 loop_ _Task refinement stop_ _Details Accelrys save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . n/a temperature 308 . K 'ionic strength' 100 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio H2O H 1 protons ppm 4.69 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Human centrin2' _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 . 1 MET HA H 4.21 0.01 1 2 . 2 ASN H H 8.92 0.01 1 3 . 2 ASN HA H 5.04 0.01 1 4 . 2 ASN HB2 H 3.34 0.01 2 5 . 2 ASN HB3 H 3.03 0.01 2 6 . 2 ASN HD21 H 7.69 0.01 2 7 . 2 ASN HD22 H 6.82 0.01 2 8 . 3 PHE H H 9.89 0.01 1 9 . 3 PHE HA H 4.55 0.01 1 10 . 3 PHE HB2 H 3.17 0.01 2 11 . 3 PHE HB3 H 3.06 0.01 2 12 . 3 PHE HD1 H 7.34 0.01 1 13 . 3 PHE HD2 H 7.34 0.01 1 14 . 3 PHE HE1 H 6.97 0.01 1 15 . 3 PHE HE2 H 6.97 0.01 1 16 . 3 PHE HZ H 6.79 0.01 1 17 . 4 GLY H H 9.06 0.01 1 18 . 4 GLY HA2 H 3.94 0.01 2 19 . 4 GLY HA3 H 3.66 0.01 2 20 . 5 ASP H H 8.08 0.01 1 21 . 5 ASP HA H 4.51 0.01 1 22 . 5 ASP HB2 H 2.92 0.01 2 23 . 5 ASP HB3 H 2.77 0.01 2 24 . 6 PHE H H 8.10 0.01 1 25 . 6 PHE HA H 4.27 0.01 1 26 . 6 PHE HB2 H 3.42 0.01 2 27 . 6 PHE HB3 H 3.29 0.01 2 28 . 6 PHE HD1 H 7.21 0.01 1 29 . 6 PHE HD2 H 7.21 0.01 1 30 . 6 PHE HE1 H 7.13 0.01 1 31 . 6 PHE HE2 H 7.13 0.01 1 32 . 6 PHE HZ H 6.96 0.01 1 33 . 7 LEU H H 8.57 0.01 1 34 . 7 LEU HA H 4.07 0.01 1 35 . 7 LEU HB2 H 1.90 0.01 2 36 . 7 LEU HB3 H 1.65 0.01 2 37 . 7 LEU HG H 1.82 0.01 1 38 . 7 LEU HD1 H 0.93 0.01 2 39 . 7 LEU HD2 H 0.68 0.01 2 40 . 8 THR H H 8.03 0.01 1 41 . 8 THR HA H 3.97 0.01 1 42 . 8 THR HB H 4.42 0.01 1 43 . 8 THR HG2 H 1.24 0.01 1 44 . 9 VAL H H 7.58 0.01 1 45 . 9 VAL HA H 3.79 0.01 1 46 . 9 VAL HB H 2.13 0.01 1 47 . 9 VAL HG1 H 1.03 0.01 2 48 . 9 VAL HG2 H 0.92 0.01 2 49 . 10 MET H H 8.04 0.01 1 50 . 10 MET HA H 4.25 0.01 1 51 . 10 MET HB2 H 2.11 0.01 1 52 . 10 MET HB3 H 2.11 0.01 1 53 . 10 MET HG2 H 2.36 0.01 2 54 . 10 MET HG3 H 2.28 0.01 2 55 . 11 THR H H 8.23 0.01 1 56 . 11 THR HA H 4.14 0.01 1 57 . 11 THR HB H 4.32 0.01 1 58 . 11 THR HG2 H 1.29 0.01 1 59 . 12 GLN H H 7.87 0.01 1 60 . 12 GLN HA H 4.45 0.01 1 61 . 12 GLN HB2 H 2.20 0.01 2 62 . 12 GLN HB3 H 2.04 0.01 2 63 . 12 GLN HG2 H 2.50 0.01 2 64 . 12 GLN HG3 H 2.42 0.01 2 65 . 12 GLN HE21 H 7.42 0.01 2 66 . 12 GLN HE22 H 6.76 0.01 2 67 . 13 LYS H H 7.66 0.01 1 68 . 13 LYS HA H 4.24 0.01 1 69 . 13 LYS HB2 H 1.76 0.01 1 70 . 13 LYS HB3 H 1.76 0.01 1 71 . 20 LYS H H 7.91 0.01 1 72 . 20 LYS HA H 4.04 0.01 1 73 . 20 LYS HB2 H 1.85 0.01 1 74 . 20 LYS HB3 H 1.85 0.01 1 75 . 21 GLU H H 8.36 0.01 1 76 . 21 GLU HA H 4.16 0.01 1 77 . 21 GLU HB2 H 2.06 0.01 1 78 . 21 GLU HB3 H 2.06 0.01 1 79 . 21 GLU HG2 H 2.32 0.01 1 80 . 21 GLU HG3 H 2.32 0.01 1 81 . 22 GLU H H 7.99 0.01 1 82 . 22 GLU HA H 4.24 0.01 1 83 . 22 GLU HB2 H 2.13 0.01 1 84 . 22 GLU HB3 H 2.13 0.01 1 85 . 22 GLU HG2 H 2.33 0.01 1 86 . 22 GLU HG3 H 2.33 0.01 1 87 . 23 ILE H H 8.225 0.001 1 88 . 23 ILE HA H 3.98 0.01 1 89 . 23 ILE HB H 2.00 0.01 1 90 . 23 ILE HG12 H 1.25 0.01 1 91 . 23 ILE HG13 H 1.25 0.01 1 92 . 23 ILE HG2 H 1.00 0.01 1 93 . 23 ILE HD1 H 0.83 0.01 1 94 . 24 LEU H H 8.218 0.001 1 95 . 24 LEU HA H 4.27 0.01 1 96 . 24 LEU HB2 H 1.85 0.01 2 97 . 24 LEU HB3 H 1.65 0.01 2 98 . 24 LEU HG H 1.78 0.01 1 99 . 24 LEU HD1 H 0.90 0.01 2 100 . 24 LEU HD2 H 0.81 0.01 2 101 . 25 LYS H H 7.88 0.01 1 102 . 25 LYS HA H 4.29 0.01 1 103 . 25 LYS HB2 H 1.93 0.01 2 104 . 25 LYS HB3 H 1.84 0.01 2 105 . 25 LYS HG2 H 1.47 0.01 1 106 . 25 LYS HG3 H 1.47 0.01 1 107 . 26 ALA H H 7.96 0.01 1 108 . 26 ALA HA H 4.12 0.01 1 109 . 26 ALA HB H 1.73 0.01 1 110 . 27 PHE H H 7.94 0.01 1 111 . 27 PHE HA H 3.28 0.01 1 112 . 27 PHE HB2 H 3.17 0.01 2 113 . 27 PHE HB3 H 2.60 0.01 2 114 . 27 PHE HD1 H 6.48 0.01 1 115 . 27 PHE HD2 H 6.48 0.01 1 116 . 27 PHE HE1 H 6.99 0.01 1 117 . 27 PHE HE2 H 6.99 0.01 1 118 . 27 PHE HZ H 7.11 0.01 1 119 . 28 LYS H H 7.68 0.01 1 120 . 28 LYS HA H 3.94 0.01 1 121 . 28 LYS HB2 H 1.94 0.01 2 122 . 28 LYS HB3 H 1.77 0.01 2 123 . 28 LYS HG2 H 1.66 0.01 1 124 . 28 LYS HG3 H 1.66 0.01 1 125 . 29 LEU H H 7.47 0.01 1 126 . 29 LEU HA H 3.97 0.01 1 127 . 29 LEU HB2 H 1.82 0.01 2 128 . 29 LEU HB3 H 1.30 0.01 2 129 . 29 LEU HG H 1.69 0.01 1 130 . 29 LEU HD1 H 0.85 0.01 2 131 . 29 LEU HD2 H 0.77 0.01 2 132 . 30 PHE H H 7.43 0.01 1 133 . 30 PHE HA H 4.07 0.01 1 134 . 30 PHE HB2 H 2.84 0.01 2 135 . 30 PHE HB3 H 2.60 0.01 2 136 . 30 PHE HD1 H 7.19 0.01 1 137 . 30 PHE HD2 H 7.19 0.01 1 138 . 30 PHE HE1 H 7.27 0.01 1 139 . 30 PHE HE2 H 7.27 0.01 1 140 . 31 ASP H H 7.31 0.01 1 141 . 31 ASP HA H 4.56 0.01 1 142 . 31 ASP HB2 H 2.43 0.01 2 143 . 31 ASP HB3 H 1.60 0.01 2 144 . 32 ASP H H 8.68 0.01 1 145 . 32 ASP HA H 4.30 0.01 1 146 . 32 ASP HB2 H 2.68 0.01 2 147 . 32 ASP HB3 H 2.57 0.01 2 148 . 33 ASP H H 9.15 0.01 1 149 . 33 ASP HA H 4.52 0.01 1 150 . 33 ASP HB2 H 2.97 0.01 2 151 . 33 ASP HB3 H 2.66 0.01 2 152 . 34 GLU H H 7.86 0.01 1 153 . 34 GLU HA H 3.96 0.01 1 154 . 34 GLU HB2 H 2.18 0.01 2 155 . 34 GLU HB3 H 2.05 0.01 2 156 . 34 GLU HG2 H 2.45 0.01 1 157 . 34 GLU HG3 H 2.45 0.01 1 158 . 35 THR H H 9.94 0.01 1 159 . 35 THR HA H 4.48 0.01 1 160 . 35 THR HB H 4.48 0.01 1 161 . 35 THR HG2 H 1.08 0.01 1 162 . 36 GLY H H 10.95 0.01 1 163 . 36 GLY HA2 H 4.29 0.01 2 164 . 36 GLY HA3 H 3.65 0.01 2 165 . 37 LYS H H 7.70 0.01 1 166 . 37 LYS HA H 4.98 0.01 1 167 . 37 LYS HB2 H 1.54 0.01 1 168 . 37 LYS HB3 H 1.54 0.01 1 169 . 37 LYS HG2 H 1.22 0.01 1 170 . 37 LYS HG3 H 1.22 0.01 1 171 . 37 LYS HD2 H 1.43 0.01 1 172 . 37 LYS HD3 H 1.43 0.01 1 173 . 37 LYS HE2 H 2.95 0.01 1 174 . 37 LYS HE3 H 2.95 0.01 1 175 . 38 ILE H H 9.34 0.01 1 176 . 38 ILE HA H 4.38 0.01 1 177 . 38 ILE HB H 1.72 0.01 1 178 . 38 ILE HG12 H 1.20 0.01 2 179 . 38 ILE HG13 H 0.14 0.01 2 180 . 38 ILE HG2 H 0.77 0.01 1 181 . 38 ILE HD1 H 0.06 0.01 1 182 . 39 SER H H 8.64 0.01 1 183 . 39 SER HA H 4.83 0.01 1 184 . 39 SER HB2 H 4.40 0.01 2 185 . 39 SER HB3 H 3.93 0.01 2 186 . 40 PHE H H 9.56 0.01 1 187 . 40 PHE HA H 3.90 0.01 1 188 . 40 PHE HB2 H 3.25 0.01 2 189 . 40 PHE HB3 H 3.15 0.01 2 190 . 40 PHE HD1 H 7.02 0.01 1 191 . 40 PHE HD2 H 7.02 0.01 1 192 . 40 PHE HE1 H 7.44 0.01 1 193 . 40 PHE HE2 H 7.44 0.01 1 194 . 40 PHE HZ H 7.25 0.01 1 195 . 41 LYS H H 8.32 0.01 1 196 . 41 LYS HA H 3.85 0.01 1 197 . 41 LYS HB2 H 1.97 0.01 2 198 . 41 LYS HB3 H 1.89 0.01 2 199 . 41 LYS HG2 H 1.48 0.01 1 200 . 41 LYS HG3 H 1.48 0.01 1 201 . 41 LYS HD2 H 1.75 0.01 2 202 . 41 LYS HD3 H 1.61 0.01 2 203 . 41 LYS HE2 H 3.00 0.01 1 204 . 41 LYS HE3 H 3.00 0.01 1 205 . 42 ASN H H 7.75 0.01 1 206 . 42 ASN HA H 4.69 0.01 1 207 . 42 ASN HB2 H 3.48 0.01 2 208 . 42 ASN HB3 H 3.22 0.01 2 209 . 42 ASN HD21 H 7.87 0.01 2 210 . 42 ASN HD22 H 7.47 0.01 2 211 . 43 LEU H H 8.03 0.01 1 212 . 43 LEU HA H 4.05 0.01 1 213 . 43 LEU HB2 H 1.59 0.01 2 214 . 43 LEU HB3 H 1.39 0.01 2 215 . 43 LEU HG H 1.46 0.01 1 216 . 43 LEU HD1 H 0.66 0.01 1 217 . 43 LEU HD2 H 0.66 0.01 1 218 . 44 LYS H H 8.59 0.01 1 219 . 44 LYS HA H 3.66 0.01 1 220 . 44 LYS HB2 H 1.63 0.01 1 221 . 44 LYS HB3 H 1.63 0.01 1 222 . 44 LYS HG2 H 1.25 0.01 2 223 . 44 LYS HG3 H 1.13 0.01 2 224 . 44 LYS HD2 H 1.63 0.01 2 225 . 44 LYS HD3 H 1.59 0.01 2 226 . 44 LYS HE2 H 2.98 0.01 1 227 . 44 LYS HE3 H 2.98 0.01 1 228 . 45 ARG H H 7.56 0.01 1 229 . 45 ARG HA H 4.03 0.01 1 230 . 45 ARG HB2 H 2.23 0.01 1 231 . 45 ARG HB3 H 2.23 0.01 1 232 . 45 ARG HG2 H 1.75 0.01 1 233 . 45 ARG HG3 H 1.75 0.01 1 234 . 46 VAL H H 7.83 0.01 1 235 . 46 VAL HA H 3.51 0.01 1 236 . 46 VAL HB H 2.10 0.01 1 237 . 46 VAL HG1 H 0.85 0.01 2 238 . 46 VAL HG2 H 0.70 0.01 2 239 . 47 ALA H H 8.71 0.01 1 240 . 47 ALA HA H 4.00 0.01 1 241 . 47 ALA HB H 1.57 0.01 1 242 . 48 LYS H H 7.86 0.01 1 243 . 48 LYS HA H 4.24 0.01 1 244 . 49 GLU H H 8.30 0.01 1 245 . 49 GLU HA H 4.03 0.01 1 246 . 49 GLU HB2 H 2.24 0.01 2 247 . 49 GLU HB3 H 2.09 0.01 2 248 . 49 GLU HG2 H 2.49 0.01 1 249 . 49 GLU HG3 H 2.49 0.01 1 250 . 50 LEU H H 8.14 0.01 1 251 . 50 LEU HA H 4.26 0.01 1 252 . 50 LEU HB2 H 1.79 0.01 2 253 . 50 LEU HB3 H 1.65 0.01 2 254 . 50 LEU HG H 1.89 0.01 1 255 . 50 LEU HD1 H 0.76 0.01 2 256 . 50 LEU HD2 H 0.63 0.01 2 257 . 51 GLY H H 7.87 0.01 1 258 . 51 GLY HA2 H 4.07 0.01 2 259 . 51 GLY HA3 H 3.82 0.01 2 260 . 52 GLU H H 7.94 0.01 1 261 . 52 GLU HA H 4.38 0.01 1 262 . 52 GLU HB2 H 1.83 0.01 1 263 . 52 GLU HB3 H 1.83 0.01 1 264 . 52 GLU HG2 H 2.12 0.01 1 265 . 52 GLU HG3 H 2.12 0.01 1 266 . 53 ASN H H 8.94 0.01 1 267 . 53 ASN HA H 4.81 0.01 1 268 . 53 ASN HB2 H 2.86 0.01 2 269 . 53 ASN HB3 H 2.68 0.01 2 270 . 53 ASN HD21 H 7.56 0.01 2 271 . 53 ASN HD22 H 6.80 0.01 2 272 . 54 LEU H H 8.08 0.01 1 273 . 54 LEU HA H 4.73 0.01 1 274 . 54 LEU HB2 H 1.43 0.01 1 275 . 54 LEU HB3 H 1.43 0.01 1 276 . 54 LEU HG H 1.53 0.01 1 277 . 54 LEU HD1 H 0.87 0.01 2 278 . 54 LEU HD2 H 0.81 0.01 2 279 . 55 THR H H 9.34 0.01 1 280 . 55 THR HA H 4.42 0.01 1 281 . 55 THR HB H 4.82 0.01 1 282 . 55 THR HG2 H 1.40 0.01 1 283 . 56 ASP H H 9.07 0.01 1 284 . 56 ASP HA H 4.55 0.01 1 285 . 56 ASP HB2 H 2.82 0.01 2 286 . 56 ASP HB3 H 2.73 0.01 2 287 . 57 GLU H H 8.75 0.01 1 288 . 57 GLU HA H 4.03 0.01 1 289 . 57 GLU HB2 H 2.09 0.01 2 290 . 57 GLU HB3 H 1.97 0.01 2 291 . 57 GLU HG2 H 2.44 0.01 2 292 . 57 GLU HG3 H 2.29 0.01 2 293 . 58 GLU H H 7.82 0.01 1 294 . 58 GLU HA H 4.03 0.01 1 295 . 58 GLU HB2 H 2.07 0.01 1 296 . 58 GLU HB3 H 2.07 0.01 1 297 . 58 GLU HG2 H 2.39 0.01 2 298 . 58 GLU HG3 H 2.27 0.01 2 299 . 59 LEU H H 8.09 0.01 1 300 . 59 LEU HA H 3.99 0.01 1 301 . 59 LEU HB2 H 2.19 0.01 2 302 . 59 LEU HB3 H 1.01 0.01 2 303 . 59 LEU HG H 1.72 0.01 1 304 . 59 LEU HD1 H 0.61 0.01 2 305 . 59 LEU HD2 H 0.51 0.01 2 306 . 60 GLN H H 8.49 0.01 1 307 . 60 GLN HA H 3.94 0.01 1 308 . 60 GLN HB2 H 2.16 0.01 1 309 . 60 GLN HB3 H 2.16 0.01 1 310 . 60 GLN HG2 H 2.42 0.01 2 311 . 60 GLN HG3 H 2.31 0.01 2 312 . 60 GLN HE21 H 7.63 0.01 2 313 . 60 GLN HE22 H 6.63 0.01 2 314 . 61 GLU H H 8.01 0.01 1 315 . 61 GLU HA H 4.10 0.01 1 316 . 61 GLU HB2 H 2.19 0.01 2 317 . 61 GLU HB3 H 2.12 0.01 2 318 . 61 GLU HG2 H 2.51 0.01 2 319 . 61 GLU HG3 H 2.35 0.01 2 320 . 62 MET H H 7.38 0.01 1 321 . 62 MET HA H 4.22 0.01 1 322 . 62 MET HB2 H 2.18 0.01 2 323 . 62 MET HB3 H 2.05 0.01 2 324 . 62 MET HG2 H 2.69 0.01 1 325 . 62 MET HG3 H 2.69 0.01 1 326 . 63 ILE H H 7.23 0.01 1 327 . 63 ILE HA H 3.40 0.01 1 328 . 63 ILE HB H 2.16 0.01 1 329 . 63 ILE HG12 H 1.55 0.01 2 330 . 63 ILE HG13 H 1.16 0.01 2 331 . 63 ILE HG2 H 0.79 0.01 1 332 . 63 ILE HD1 H 0.78 0.01 1 333 . 64 ASP H H 8.64 0.01 1 334 . 64 ASP HA H 4.33 0.01 1 335 . 64 ASP HB2 H 2.75 0.01 2 336 . 64 ASP HB3 H 2.69 0.01 2 337 . 65 GLU H H 7.86 0.01 1 338 . 65 GLU HA H 4.06 0.01 1 339 . 65 GLU HB2 H 2.17 0.01 1 340 . 65 GLU HB3 H 2.17 0.01 1 341 . 65 GLU HG2 H 2.66 0.01 2 342 . 65 GLU HG3 H 2.49 0.01 2 343 . 66 ALA H H 7.32 0.01 1 344 . 66 ALA HA H 4.42 0.01 1 345 . 66 ALA HB H 1.40 0.01 1 346 . 67 ASP H H 8.28 0.01 1 347 . 67 ASP HA H 4.53 0.01 1 348 . 67 ASP HB2 H 2.86 0.01 2 349 . 67 ASP HB3 H 2.48 0.01 2 350 . 68 ARG H H 8.45 0.01 1 351 . 68 ARG HA H 4.44 0.01 1 352 . 68 ARG HB2 H 2.07 0.01 2 353 . 68 ARG HB3 H 1.90 0.01 2 354 . 68 ARG HG2 H 1.77 0.01 1 355 . 68 ARG HG3 H 1.77 0.01 1 356 . 68 ARG HD2 H 3.25 0.01 1 357 . 68 ARG HD3 H 3.25 0.01 1 358 . 69 ASP H H 8.28 0.01 1 359 . 69 ASP HA H 4.69 0.01 1 360 . 69 ASP HB2 H 3.12 0.01 2 361 . 69 ASP HB3 H 2.61 0.01 2 362 . 70 GLY H H 7.71 0.01 1 363 . 70 GLY HA2 H 3.99 0.01 2 364 . 70 GLY HA3 H 3.87 0.01 2 365 . 71 ASP H H 8.28 0.01 1 366 . 71 ASP HA H 4.57 0.01 1 367 . 71 ASP HB2 H 3.11 0.01 2 368 . 71 ASP HB3 H 2.58 0.01 2 369 . 72 GLY H H 9.90 0.01 1 370 . 72 GLY HA2 H 4.12 0.01 2 371 . 72 GLY HA3 H 3.56 0.01 2 372 . 73 GLU H H 7.87 0.01 1 373 . 73 GLU HA H 4.87 0.01 1 374 . 73 GLU HB2 H 1.87 0.01 2 375 . 73 GLU HB3 H 1.52 0.01 2 376 . 73 GLU HG2 H 2.08 0.01 1 377 . 73 GLU HG3 H 2.08 0.01 1 378 . 74 VAL H H 9.37 0.01 1 379 . 74 VAL HA H 5.02 0.01 1 380 . 74 VAL HB H 2.29 0.01 1 381 . 74 VAL HG1 H 1.11 0.01 2 382 . 74 VAL HG2 H 0.94 0.01 2 383 . 75 SER H H 9.90 0.01 1 384 . 75 SER HA H 4.87 0.01 1 385 . 75 SER HB2 H 4.52 0.01 2 386 . 75 SER HB3 H 4.32 0.01 2 387 . 76 GLU H H 8.64 0.01 1 388 . 76 GLU HA H 3.15 0.01 1 389 . 76 GLU HB2 H 1.63 0.01 2 390 . 76 GLU HB3 H 1.48 0.01 2 391 . 76 GLU HG2 H 1.36 0.01 1 392 . 76 GLU HG3 H 1.36 0.01 1 393 . 77 GLN H H 8.33 0.01 1 394 . 77 GLN HA H 3.99 0.01 1 395 . 77 GLN HB2 H 2.06 0.01 1 396 . 77 GLN HB3 H 2.06 0.01 1 397 . 77 GLN HG2 H 2.46 0.01 1 398 . 77 GLN HG3 H 2.46 0.01 1 399 . 77 GLN HE21 H 7.55 0.01 2 400 . 77 GLN HE22 H 6.85 0.01 2 401 . 78 GLU H H 7.81 0.01 1 402 . 78 GLU HA H 4.03 0.01 1 403 . 78 GLU HB2 H 2.60 0.01 2 404 . 78 GLU HB3 H 2.07 0.01 2 405 . 78 GLU HG2 H 2.44 0.01 2 406 . 78 GLU HG3 H 2.26 0.01 2 407 . 79 PHE H H 8.94 0.01 1 408 . 79 PHE HA H 3.94 0.01 1 409 . 79 PHE HB2 H 3.37 0.01 2 410 . 79 PHE HB3 H 3.13 0.01 2 411 . 79 PHE HD1 H 6.84 0.01 1 412 . 79 PHE HD2 H 6.84 0.01 1 413 . 79 PHE HE1 H 7.15 0.01 1 414 . 79 PHE HE2 H 7.15 0.01 1 415 . 79 PHE HZ H 7.21 0.01 1 416 . 80 LEU H H 8.51 0.01 1 417 . 80 LEU HA H 3.78 0.01 1 418 . 80 LEU HB2 H 1.85 0.01 2 419 . 80 LEU HB3 H 1.54 0.01 2 420 . 80 LEU HG H 1.85 0.01 1 421 . 80 LEU HD1 H 0.90 0.01 1 422 . 80 LEU HD2 H 0.90 0.01 1 423 . 81 ARG H H 7.57 0.01 1 424 . 81 ARG HA H 4.42 0.01 1 425 . 81 ARG HB2 H 1.92 0.01 1 426 . 81 ARG HB3 H 1.92 0.01 1 427 . 81 ARG HG2 H 1.78 0.01 2 428 . 81 ARG HG3 H 1.60 0.01 2 429 . 82 ILE H H 7.40 0.01 1 430 . 82 ILE HA H 4.09 0.01 1 431 . 82 ILE HB H 1.90 0.01 1 432 . 82 ILE HG12 H 1.50 0.01 2 433 . 82 ILE HG13 H 1.43 0.01 2 434 . 82 ILE HG2 H 0.81 0.01 1 435 . 82 ILE HD1 H 0.81 0.01 1 436 . 83 MET H H 7.64 0.01 1 437 . 83 MET HA H 4.25 0.01 1 438 . 83 MET HB2 H 2.11 0.01 1 439 . 83 MET HB3 H 2.11 0.01 1 440 . 83 MET HG2 H 1.89 0.01 2 441 . 83 MET HG3 H 1.04 0.01 2 442 . 86 THR H H 7.92 0.01 1 443 . 86 THR HA H 4.39 0.01 1 444 . 86 THR HB H 4.27 0.01 1 445 . 86 THR HG2 H 1.22 0.01 1 446 . 88 LEU H H 7.83 0.01 1 447 . 88 LEU HA H 4.19 0.01 1 448 . 88 LEU HB2 H 1.61 0.01 1 449 . 88 LEU HB3 H 1.61 0.01 1 450 . 88 LEU HG H 1.61 0.01 1 451 . 88 LEU HD1 H 0.91 0.01 2 452 . 88 LEU HD2 H 0.87 0.01 2 453 . 89 TYR H H 7.43 0.01 1 454 . 89 TYR HA H 4.36 0.01 1 455 . 89 TYR HB2 H 3.04 0.01 2 456 . 89 TYR HB3 H 2.83 0.01 2 457 . 89 TYR HD1 H 7.06 0.01 1 458 . 89 TYR HD2 H 7.06 0.01 1 459 . 89 TYR HE1 H 6.78 0.01 1 460 . 89 TYR HE2 H 6.78 0.01 1 stop_ save_