data_5937 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Sift Assignments for PDZ2b domain of PTP-Bas (hPTP1E) ; _BMRB_accession_number 5937 _BMRB_flat_file_name bmr5937.str _Entry_type original _Submission_date 2003-09-08 _Accession_date 2003-09-08 _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 Kachel Norman . . 2 Erdmann 'Kai Sven' . . 3 Kremer Werner . . 4 Wolff Peter . . 5 Gronwald Wolfram . . 6 Heumann Rolf . . 7 Kalbitzer 'Hans Robert' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 514 "13C chemical shifts" 318 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-19 original author . stop_ _Original_release_date 2003-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure determination and ligand interactions of the PDZ2b domain of PTP-Bas (hPTP1E): Splicing-induced modulation of ligand specificity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14596806 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kachel Norman . . 2 Erdmann 'Kai Sven' . . 3 Kremer Werner . . 4 Wolff Peter . . 5 Gronwald Wolfram . . 6 Heumann Rolf . . 7 Kalbitzer 'Hans Robert' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 334 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 143 _Page_last 155 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_PDZ2b_of_hPTP1E _Saveframe_category molecular_system _Mol_system_name 'PDZ2b domain of PTP-Bas (hPTP1E)' _Abbreviation_common 'PDZ2b of hPTP1E' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ2b of PTP-Bas, PDZ2b' $PDZ2b stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PDZ2b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ2b domain of PTP-Bas' _Name_variant 'Splicing variant b of PDZ2' _Abbreviation_common 'PDZ2b of PTP-Bas' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GSSPPKPGDIFEVELAKNDN SLGISVTVLFDKGGVNTSVR HGGIYVKAVIPQGAAESDGR IHKGDRVLAVNGVSLEGATH KQAVETLRNTGQVVHLLLEK GQSPTSKE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 PRO 5 PRO 6 LYS 7 PRO 8 GLY 9 ASP 10 ILE 11 PHE 12 GLU 13 VAL 14 GLU 15 LEU 16 ALA 17 LYS 18 ASN 19 ASP 20 ASN 21 SER 22 LEU 23 GLY 24 ILE 25 SER 26 VAL 27 THR 28 VAL 29 LEU 30 PHE 31 ASP 32 LYS 33 GLY 34 GLY 35 VAL 36 ASN 37 THR 38 SER 39 VAL 40 ARG 41 HIS 42 GLY 43 GLY 44 ILE 45 TYR 46 VAL 47 LYS 48 ALA 49 VAL 50 ILE 51 PRO 52 GLN 53 GLY 54 ALA 55 ALA 56 GLU 57 SER 58 ASP 59 GLY 60 ARG 61 ILE 62 HIS 63 LYS 64 GLY 65 ASP 66 ARG 67 VAL 68 LEU 69 ALA 70 VAL 71 ASN 72 GLY 73 VAL 74 SER 75 LEU 76 GLU 77 GLY 78 ALA 79 THR 80 HIS 81 LYS 82 GLN 83 ALA 84 VAL 85 GLU 86 THR 87 LEU 88 ARG 89 ASN 90 THR 91 GLY 92 GLN 93 VAL 94 VAL 95 HIS 96 LEU 97 LEU 98 LEU 99 GLU 100 LYS 101 GLY 102 GLN 103 SER 104 PRO 105 THR 106 SER 107 LYS 108 GLU stop_ _Sequence_homology_query_date . _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 PDB 1Q7X 'Solution Structure Of The Alternatively Spliced Pdz2 Domain (Pdz2b) Of Ptp-Bas (Hptp1e)' 100.00 108 100.00 100.00 7.26e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDZ2b 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_type _Vector_name $PDZ2b 'recombinant technology' E.coli Escherichia coli C600 plasmid pGEX2T 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 $PDZ2b 2 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDZ2b 2 mM [U-15N] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PDZ2b 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Saveframe_category software _Name XWIN-NMR _Version . loop_ _Task 'data acquisition' processing stop_ _Details . save_ save_Auremol _Saveframe_category software _Name AUREMOL _Version . loop_ _Task 'automated assignment of NOESYs' 'manual assignment' stop_ _Details 'See http://www.biologie.uni-regensburg.de/Biophysik/Kalbitzer/software/' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _Sample_label . save_ save_15N-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _Sample_label . save_ save_13C-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _Sample_label . save_ save_1H-1H-NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-1H-NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-1H-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Con_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 n/a temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $Con_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PDZ2b of PTP-Bas, PDZ2b' _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 GLY CA C 44.958 . 1 2 . 1 GLY HA2 H 3.873 . 2 3 . 1 GLY HA3 H 4.145 . 2 4 . 1 GLY C C 176.494 . 1 5 . 2 SER H H 7.91 . 1 6 . 2 SER N N 118.885 . 1 7 . 2 SER CA C 57.745 . 1 8 . 2 SER HA H 4.466 . 1 9 . 2 SER C C 173.993 . 1 10 . 2 SER CB C 63.596 . 1 11 . 2 SER HB2 H 3.865 . 1 12 . 2 SER HB3 H 3.865 . 1 13 . 3 SER H H 8.464 . 1 14 . 3 SER N N 118.829 . 1 15 . 3 SER CA C 56.275 . 1 16 . 3 SER HA H 4.78 . 1 17 . 3 SER C C 174.63 . 1 18 . 3 SER CB C 62.47 . 1 19 . 3 SER HB2 H 3.77 . 2 20 . 3 SER HB3 H 3.789 . 2 21 . 5 PRO CA C 62.573 . 1 22 . 5 PRO C C 175.244 . 1 23 . 5 PRO CB C 30.921 . 1 24 . 6 LYS H H 9.081 . 1 25 . 6 LYS N N 124.198 . 1 26 . 6 LYS CA C 53.184 . 1 27 . 6 LYS HA H 5.181 . 1 28 . 6 LYS C C 176.55 . 1 29 . 6 LYS CB C 30.921 . 1 30 . 6 LYS HG2 H 1.483 . 1 31 . 6 LYS HG3 H 1.483 . 1 32 . 6 LYS HD2 H 1.715 . 1 33 . 6 LYS HD3 H 1.715 . 1 34 . 7 PRO CA C 64.049 . 1 35 . 7 PRO HA H 4.534 . 1 36 . 7 PRO C C 177.431 . 1 37 . 7 PRO CB C 31.422 . 1 38 . 7 PRO HB2 H 1.947 . 2 39 . 7 PRO HB3 H 2.446 . 2 40 . 7 PRO HG2 H 1.886 . 1 41 . 7 PRO HG3 H 1.886 . 1 42 . 7 PRO HD2 H 3.893 . 1 43 . 7 PRO HD3 H 3.893 . 1 44 . 8 GLY H H 9.054 . 1 45 . 8 GLY N N 113.884 . 1 46 . 8 GLY CA C 44.902 . 1 47 . 8 GLY HA2 H 4.363 . 2 48 . 8 GLY HA3 H 3.873 . 2 49 . 8 GLY C C 173.71 . 1 50 . 9 ASP H H 8.39 . 1 51 . 9 ASP N N 121.698 . 1 52 . 9 ASP CA C 53.735 . 1 53 . 9 ASP HA H 4.581 . 1 54 . 9 ASP C C 175.869 . 1 55 . 9 ASP CB C 41.288 . 1 56 . 9 ASP HB2 H 2.629 . 2 57 . 9 ASP HB3 H 2.947 . 2 58 . 10 ILE H H 8.475 . 1 59 . 10 ILE N N 122.01 . 1 60 . 10 ILE CA C 59.39 . 1 61 . 10 ILE HA H 4.254 . 1 62 . 10 ILE C C 176.494 . 1 63 . 10 ILE CB C 37.61 . 1 64 . 10 ILE HB H 1.693 . 1 65 . 10 ILE CG2 C 17.53 . 1 66 . 10 ILE HG2 H 1.366 . 1 67 . 10 ILE CG1 C 27.59 . 1 68 . 10 ILE HG12 H 1.128 . 1 69 . 10 ILE HG13 H 1.128 . 1 70 . 10 ILE CD1 C 14.18 . 1 71 . 10 ILE HD1 H 0.705 . 1 72 . 11 PHE H H 7.91 . 1 73 . 11 PHE N N 126.073 . 1 74 . 11 PHE CA C 54.81 . 1 75 . 11 PHE HA H 5.072 . 1 76 . 11 PHE C C 175.869 . 1 77 . 11 PHE CB C 41.248 . 1 78 . 11 PHE HB2 H 1.748 . 1 79 . 11 PHE HB3 H 1.748 . 1 80 . 11 PHE HD1 H 7.065 . 1 81 . 11 PHE HD2 H 7.065 . 1 82 . 11 PHE HE1 H 6.805 . 1 83 . 11 PHE HE2 H 6.805 . 1 84 . 11 PHE HZ H 7.367 . 1 85 . 12 GLU H H 8.563 . 1 86 . 12 GLU N N 118.885 . 1 87 . 12 GLU CA C 53.638 . 1 88 . 12 GLU HA H 5.072 . 1 89 . 12 GLU C C 175.869 . 1 90 . 12 GLU CB C 33.038 . 1 91 . 12 GLU HB2 H 3.764 . 1 92 . 12 GLU HB3 H 3.764 . 1 93 . 12 GLU HG2 H 4.69 . 1 94 . 12 GLU HG3 H 4.69 . 1 95 . 13 VAL H H 8.631 . 1 96 . 13 VAL N N 120.135 . 1 97 . 13 VAL CA C 60.914 . 1 98 . 13 VAL HA H 4.69 . 1 99 . 13 VAL C C 173.056 . 1 100 . 13 VAL CB C 36.086 . 1 101 . 13 VAL HB H 4.091 . 1 102 . 13 VAL CG1 C 21.14 . 1 103 . 13 VAL HG1 H 0.767 . 1 104 . 13 VAL HG2 H 1.802 . 1 105 . 14 GLU H H 7.869 . 1 106 . 14 GLU N N 126.073 . 1 107 . 14 GLU CA C 54.228 . 1 108 . 14 GLU HA H 4.908 . 1 109 . 14 GLU C C 176.33 . 1 110 . 14 GLU CB C 30.431 . 1 111 . 14 GLU HB2 H 1.802 . 1 112 . 14 GLU HB3 H 1.802 . 1 113 . 14 GLU HG2 H 2.038 . 1 114 . 14 GLU HG3 H 2.038 . 1 115 . 15 LEU H H 8.904 . 1 116 . 15 LEU N N 126.386 . 1 117 . 15 LEU CA C 52.719 . 1 118 . 15 LEU HA H 4.636 . 1 119 . 15 LEU C C 173.681 . 1 120 . 15 LEU CB C 45.443 . 1 121 . 15 LEU HB2 H 1.248 . 2 122 . 15 LEU HB3 H 1.388 . 2 123 . 15 LEU HD1 H 0.713 . 1 124 . 15 LEU HD2 H 0.713 . 1 125 . 16 ALA H H 8.543 . 1 126 . 16 ALA N N 126.699 . 1 127 . 16 ALA CA C 49.4 . 1 128 . 16 ALA HA H 5.072 . 1 129 . 16 ALA C C 177.12 . 1 130 . 16 ALA CB C 19.015 . 1 131 . 16 ALA HB H 1.312 . 1 132 . 17 LYS H H 8.536 . 1 133 . 17 LYS N N 120.135 . 1 134 . 17 LYS CA C 57.505 . 1 135 . 17 LYS HA H 4.581 . 1 136 . 17 LYS C C 176.181 . 1 137 . 17 LYS CB C 34.2 . 1 138 . 17 LYS HB2 H 1.748 . 1 139 . 17 LYS HB3 H 1.748 . 1 140 . 17 LYS HG2 H 1.421 . 1 141 . 17 LYS HG3 H 1.421 . 1 142 . 17 LYS HE2 H 3.764 . 1 143 . 17 LYS HE3 H 3.764 . 1 144 . 18 ASN H H 8.134 . 1 145 . 18 ASN N N 117.322 . 1 146 . 18 ASN CA C 52.26 . 1 147 . 18 ASN HA H 4.854 . 1 148 . 18 ASN C C 174.931 . 1 149 . 18 ASN CB C 40.2 . 1 150 . 18 ASN HB2 H 2.783 . 1 151 . 18 ASN HB3 H 2.783 . 1 152 . 18 ASN CG C 175.96 . 1 153 . 18 ASN ND2 N 113.09 . 1 154 . 19 ASP H H 9.299 . 1 155 . 19 ASP N N 125.761 . 1 156 . 19 ASP CA C 55.32 . 1 157 . 19 ASP HA H 4.63 . 1 158 . 19 ASP C C 175.244 . 1 159 . 19 ASP CB C 38.661 . 1 160 . 19 ASP HB2 H 2.783 . 1 161 . 19 ASP HB3 H 2.783 . 1 162 . 20 ASN H H 8.952 . 1 163 . 20 ASN N N 110.446 . 1 164 . 20 ASN CA C 53.726 . 1 165 . 20 ASN HA H 4.254 . 1 166 . 20 ASN C C 174.306 . 1 167 . 20 ASN CB C 38.183 . 1 168 . 20 ASN HB2 H 2.776 . 2 169 . 20 ASN HB3 H 3.1 . 2 170 . 21 SER H H 7.95 . 1 171 . 21 SER N N 112.009 . 1 172 . 21 SER CA C 55.856 . 1 173 . 21 SER HA H 4.854 . 1 174 . 21 SER C C 176.494 . 1 175 . 21 SER CB C 64.588 . 1 176 . 21 SER HB2 H 3.764 . 1 177 . 21 SER HB3 H 3.764 . 1 178 . 22 LEU H H 9.43 . 1 179 . 22 LEU N N 127.8 . 1 180 . 22 LEU CA C 55.76 . 1 181 . 22 LEU HA H 4.35 . 1 182 . 22 LEU C C 176.806 . 1 183 . 22 LEU CB C 42.846 . 1 184 . 22 LEU HB2 H 1.748 . 1 185 . 22 LEU HB3 H 1.748 . 1 186 . 22 LEU CG C 26.77 . 1 187 . 22 LEU CD1 C 24.63 . 1 188 . 22 LEU HD1 H 0.88 . 1 189 . 22 LEU CD2 C 24.2 . 1 190 . 22 LEU HD2 H 0.71 . 1 191 . 22 LEU HG H 1.475 . 1 192 . 23 GLY H H 8.795 . 1 193 . 23 GLY N N 105.133 . 1 194 . 23 GLY CA C 46.478 . 1 195 . 23 GLY HA2 H 4.145 . 2 196 . 23 GLY HA3 H 3.818 . 2 197 . 23 GLY C C 175.869 . 1 198 . 24 ILE H H 7.705 . 1 199 . 24 ILE N N 114.822 . 1 200 . 24 ILE CA C 59.3 . 1 201 . 24 ILE HA H 5.017 . 1 202 . 24 ILE C C 173.681 . 1 203 . 24 ILE CB C 41.976 . 1 204 . 24 ILE HB H 1.7 . 1 205 . 24 ILE CG2 C 17.53 . 1 206 . 24 ILE HG2 H 0.705 . 1 207 . 24 ILE HD1 H 0.657 . 1 208 . 25 SER H H 8.638 . 1 209 . 25 SER N N 119.51 . 1 210 . 25 SER CA C 55.72 . 1 211 . 25 SER HA H 5.017 . 1 212 . 25 SER C C 174.931 . 1 213 . 25 SER CB C 64.65 . 1 214 . 25 SER HB2 H 3.818 . 1 215 . 25 SER HB3 H 3.818 . 1 216 . 26 VAL H H 9.197 . 1 217 . 26 VAL N N 117.009 . 1 218 . 26 VAL CA C 58.842 . 1 219 . 26 VAL HA H 5.558 . 1 220 . 26 VAL C C 177.119 . 1 221 . 26 VAL CB C 35.031 . 1 222 . 26 VAL HB H 2.06 . 1 223 . 26 VAL HG1 H 0.604 . 1 224 . 26 VAL HG2 H 0.589 . 1 225 . 27 THR H H 9.054 . 1 226 . 27 THR N N 114.197 . 1 227 . 27 THR CA C 59.518 . 1 228 . 27 THR HA H 4.418 . 1 229 . 27 THR C C 170.868 . 1 230 . 27 THR CB C 70.343 . 1 231 . 27 THR HB H 3.927 . 1 232 . 27 THR HG2 H 1.046 . 1 233 . 28 VAL H H 8.066 . 1 234 . 28 VAL N N 123.573 . 1 235 . 28 VAL CA C 60.49 . 1 236 . 28 VAL HA H 3.927 . 1 237 . 28 VAL C C 175.244 . 1 238 . 28 VAL CB C 32.63 . 1 239 . 28 VAL HB H 2.184 . 1 240 . 28 VAL HG1 H 0.876 . 1 241 . 28 VAL HG2 H 1.421 . 1 242 . 29 LEU H H 8.809 . 1 243 . 29 LEU N N 123.573 . 1 244 . 29 LEU CA C 53.23 . 1 245 . 29 LEU HA H 4.363 . 1 246 . 29 LEU C C 175.869 . 1 247 . 29 LEU CB C 43.3 . 1 248 . 29 LEU HB2 H 1.645 . 1 249 . 29 LEU HB3 H 1.645 . 1 250 . 29 LEU CD1 C 24.63 . 1 251 . 29 LEU HD1 H 1.098 . 1 252 . 29 LEU CD2 C 24.2 . 1 253 . 29 LEU HD2 H 0.824 . 1 254 . 29 LEU HG H 1.415 . 1 255 . 30 PHE H H 8.611 . 1 256 . 30 PHE N N 121.073 . 1 257 . 30 PHE CA C 56.82 . 1 258 . 30 PHE HA H 4.581 . 1 259 . 30 PHE C C 174.931 . 1 260 . 30 PHE CB C 39.879 . 1 261 . 30 PHE HB2 H 3.056 . 2 262 . 30 PHE HB3 H 2.783 . 2 263 . 30 PHE HD1 H 7.95 . 1 264 . 30 PHE HD2 H 7.95 . 1 265 . 30 PHE HE1 H 7.127 . 1 266 . 30 PHE HE2 H 7.127 . 1 267 . 30 PHE HZ H 7.279 . 1 268 . 31 ASP H H 8.911 . 1 269 . 31 ASP N N 122.01 . 1 270 . 31 ASP CA C 53.7 . 1 271 . 31 ASP HA H 4.745 . 1 272 . 31 ASP C C 176.86 . 1 273 . 31 ASP CB C 41.258 . 1 274 . 31 ASP HB2 H 2.62 . 1 275 . 31 ASP HB3 H 2.62 . 1 276 . 32 LYS H H 7.962 . 1 277 . 32 LYS N N 112.135 . 1 278 . 32 LYS CA C 55.828 . 1 279 . 32 LYS HA H 4.636 . 1 280 . 32 LYS C C 175.244 . 1 281 . 32 LYS CB C 30.444 . 1 282 . 32 LYS HB2 H 1.77 . 1 283 . 32 LYS HB3 H 1.77 . 1 284 . 32 LYS HD2 H 1.654 . 1 285 . 32 LYS HD3 H 1.654 . 1 286 . 32 LYS HE2 H 3.156 . 1 287 . 32 LYS HE3 H 3.156 . 1 288 . 33 GLY H H 8.727 . 1 289 . 33 GLY N N 112.009 . 1 290 . 33 GLY CA C 44.905 . 1 291 . 33 GLY HA2 H 3.927 . 2 292 . 33 GLY HA3 H 3.709 . 2 293 . 33 GLY C C 174.306 . 1 294 . 34 GLY H H 8.209 . 1 295 . 34 GLY N N 108.883 . 1 296 . 34 GLY CA C 44.918 . 1 297 . 34 GLY HA2 H 3.927 . 1 298 . 34 GLY HA3 H 3.927 . 1 299 . 34 GLY C C 173.993 . 1 300 . 35 VAL H H 8.196 . 1 301 . 35 VAL N N 118.572 . 1 302 . 35 VAL CA C 62.536 . 1 303 . 35 VAL HA H 4.12 . 1 304 . 35 VAL C C 176.181 . 1 305 . 35 VAL CB C 31.986 . 1 306 . 35 VAL HB H 2.02 . 1 307 . 35 VAL HG1 H 0.876 . 1 308 . 35 VAL HG2 H 0.876 . 1 309 . 36 ASN H H 8.645 . 1 310 . 36 ASN N N 120.448 . 1 311 . 36 ASN CA C 52.697 . 1 312 . 36 ASN HA H 4.745 . 1 313 . 36 ASN C C 174.931 . 1 314 . 36 ASN CB C 38.177 . 1 315 . 36 ASN HB2 H 2.764 . 2 316 . 36 ASN HB3 H 2.891 . 2 317 . 37 THR H H 8.039 . 1 318 . 37 THR N N 113.259 . 1 319 . 37 THR CA C 61.515 . 1 320 . 37 THR HA H 3.873 . 1 321 . 37 THR C C 174.306 . 1 322 . 37 THR CB C 69.212 . 1 323 . 37 THR HB H 3.873 . 1 324 . 37 THR HG2 H 1.148 . 1 325 . 38 SER H H 8.386 . 1 326 . 38 SER N N 117.322 . 1 327 . 38 SER CA C 58.42 . 1 328 . 38 SER HA H 4.309 . 1 329 . 38 SER C C 174.306 . 1 330 . 38 SER CB C 63.495 . 1 331 . 38 SER HB2 H 3.873 . 1 332 . 38 SER HB3 H 3.873 . 1 333 . 39 VAL H H 7.971 . 1 334 . 39 VAL N N 120.448 . 1 335 . 39 VAL CA C 61.875 . 1 336 . 39 VAL HA H 4.091 . 1 337 . 39 VAL C C 175.244 . 1 338 . 39 VAL CB C 32.37 . 1 339 . 39 VAL HB H 1.966 . 1 340 . 39 VAL HG1 H 0.822 . 1 341 . 39 VAL HG2 H 0.822 . 1 342 . 40 ARG H H 8.366 . 1 343 . 40 ARG N N 123.884 . 1 344 . 40 ARG CA C 55.278 . 1 345 . 40 ARG HA H 4.309 . 1 346 . 40 ARG C C 175.556 . 1 347 . 40 ARG CB C 30.408 . 1 348 . 40 ARG HB2 H 1.639 . 1 349 . 40 ARG HB3 H 1.639 . 1 350 . 41 HIS H H 8.564 . 1 351 . 41 HIS N N 121.3 . 1 352 . 41 HIS CA C 56.192 . 1 353 . 41 HIS HA H 4.254 . 1 354 . 41 HIS C C 176.806 . 1 355 . 41 HIS CB C 32.426 . 1 356 . 41 HIS HB2 H 1.366 . 2 357 . 41 HIS HB3 H 1.748 . 2 358 . 41 HIS HD2 H 7.13 . 1 359 . 41 HIS HE1 H 7.95 . 1 360 . 42 GLY H H 8.563 . 1 361 . 42 GLY N N 109.508 . 1 362 . 42 GLY CA C 44.835 . 1 363 . 42 GLY HA2 H 3.715 . 1 364 . 42 GLY HA3 H 3.715 . 1 365 . 42 GLY C C 173.056 . 1 366 . 43 GLY H H 8.427 . 1 367 . 43 GLY N N 108.258 . 1 368 . 43 GLY CA C 43.994 . 1 369 . 43 GLY HA2 H 3.929 . 1 370 . 43 GLY HA3 H 3.929 . 1 371 . 43 GLY C C 170.243 . 1 372 . 44 ILE H H 8.502 . 1 373 . 44 ILE N N 120.76 . 1 374 . 44 ILE CA C 57.3 . 1 375 . 44 ILE HA H 4.636 . 1 376 . 44 ILE C C 176.84 . 1 377 . 44 ILE CB C 35.181 . 1 378 . 44 ILE HB H 2.129 . 1 379 . 44 ILE HG2 H 0.604 . 1 380 . 45 TYR H H 9.081 . 1 381 . 45 TYR N N 124.198 . 1 382 . 45 TYR CA C 55.727 . 1 383 . 45 TYR HA H 5.181 . 1 384 . 45 TYR C C 175.869 . 1 385 . 45 TYR CB C 42.37 . 1 386 . 45 TYR HB2 H 2.403 . 2 387 . 45 TYR HB3 H 3.149 . 2 388 . 45 TYR HD1 H 6.98 . 1 389 . 45 TYR HD2 H 6.98 . 1 390 . 45 TYR HE1 H 6.772 . 1 391 . 45 TYR HE2 H 6.772 . 1 392 . 45 TYR HH H 9.95 . 1 393 . 46 VAL H H 9.224 . 1 394 . 46 VAL N N 119.51 . 1 395 . 46 VAL CA C 63.552 . 1 396 . 46 VAL HA H 3.818 . 1 397 . 46 VAL C C 175.556 . 1 398 . 46 VAL CB C 30.954 . 1 399 . 46 VAL HB H 2.06 . 1 400 . 46 VAL HG1 H 0.604 . 1 401 . 46 VAL HG2 H 0.604 . 1 402 . 47 LYS H H 9.544 . 1 403 . 47 LYS N N 134.825 . 1 404 . 47 LYS CA C 56.872 . 1 405 . 47 LYS HA H 4.23 . 1 406 . 47 LYS C C 174.618 . 1 407 . 47 LYS CB C 33.5 . 1 408 . 47 LYS HG2 H 1.53 . 1 409 . 47 LYS HG3 H 1.53 . 1 410 . 48 ALA H H 7.508 . 1 411 . 48 ALA N N 117.009 . 1 412 . 48 ALA CA C 51.14 . 1 413 . 48 ALA HA H 4.19 . 1 414 . 48 ALA C C 175.244 . 1 415 . 48 ALA CB C 21.792 . 1 416 . 48 ALA HB H 1.257 . 1 417 . 49 VAL H H 8.727 . 1 418 . 49 VAL N N 121.073 . 1 419 . 49 VAL CA C 61.431 . 1 420 . 49 VAL HA H 4.2 . 1 421 . 49 VAL C C 175.556 . 1 422 . 49 VAL CB C 31.388 . 1 423 . 49 VAL HB H 1.966 . 1 424 . 49 VAL HG1 H 0.658 . 1 425 . 49 VAL HG2 H 0.658 . 1 426 . 50 ILE H H 7.882 . 1 427 . 50 ILE N N 128.886 . 1 428 . 50 ILE CA C 58.338 . 1 429 . 50 ILE HA H 4.2 . 1 430 . 50 ILE C C 176.84 . 1 431 . 50 ILE CB C 37.397 . 1 432 . 50 ILE HB H 1.584 . 1 433 . 50 ILE CG2 C 17.53 . 1 434 . 50 ILE HG2 H 0.849 . 1 435 . 50 ILE CG1 C 27.59 . 1 436 . 50 ILE CD1 C 14.18 . 1 437 . 50 ILE HD1 H 0.801 . 1 438 . 51 PRO CA C 63.975 . 1 439 . 51 PRO HA H 4.472 . 1 440 . 51 PRO C C 177.119 . 1 441 . 51 PRO CB C 31.4 . 1 442 . 51 PRO HB2 H 2.347 . 1 443 . 51 PRO HB3 H 2.347 . 1 444 . 51 PRO HG2 H 1.857 . 1 445 . 51 PRO HG3 H 1.857 . 1 446 . 52 GLN H H 9.408 . 1 447 . 52 GLN N N 116.697 . 1 448 . 52 GLN CA C 57.79 . 1 449 . 52 GLN HA H 3.818 . 1 450 . 52 GLN C C 175.244 . 1 451 . 52 GLN CB C 26.309 . 1 452 . 52 GLN CG C 33.63 . 1 453 . 52 GLN HG2 H 2.347 . 1 454 . 52 GLN HG3 H 2.347 . 1 455 . 52 GLN CD C 177.66 . 1 456 . 52 GLN NE2 N 111.61 . 1 457 . 53 GLY H H 7.855 . 1 458 . 53 GLY N N 106.07 . 1 459 . 53 GLY CA C 44.39 . 1 460 . 53 GLY HA2 H 4.309 . 1 461 . 53 GLY HA3 H 4.309 . 1 462 . 53 GLY C C 174.306 . 1 463 . 54 ALA H H 8.973 . 1 464 . 54 ALA N N 120.114 . 1 465 . 54 ALA CA C 54.517 . 1 466 . 54 ALA HA H 4.036 . 1 467 . 54 ALA C C 174.306 . 1 468 . 54 ALA CB C 18.265 . 1 469 . 54 ALA HB H 1.496 . 1 470 . 55 ALA H H 7.848 . 1 471 . 55 ALA N N 119.197 . 1 472 . 55 ALA CA C 54.367 . 1 473 . 55 ALA HA H 4.036 . 1 474 . 55 ALA C C 180.557 . 1 475 . 55 ALA CB C 18.265 . 1 476 . 55 ALA HB H 1.257 . 1 477 . 56 GLU H H 9.401 . 1 478 . 56 GLU N N 124.511 . 1 479 . 56 GLU CA C 59.389 . 1 480 . 56 GLU HA H 3.764 . 1 481 . 56 GLU C C 180.557 . 1 482 . 56 GLU CB C 29.372 . 1 483 . 56 GLU HB2 H 2.057 . 1 484 . 56 GLU HB3 H 2.057 . 1 485 . 57 SER H H 7.99 . 1 486 . 57 SER N N 113.048 . 1 487 . 57 SER CA C 60.941 . 1 488 . 57 SER HA H 4.036 . 1 489 . 57 SER C C 177.744 . 1 490 . 57 SER CB C 62.519 . 1 491 . 57 SER HB2 H 3.873 . 1 492 . 57 SER HB3 H 3.873 . 1 493 . 58 ASP H H 7.664 . 1 494 . 58 ASP N N 119.822 . 1 495 . 58 ASP CA C 56.77 . 1 496 . 58 ASP HA H 4.363 . 1 497 . 58 ASP C C 175.556 . 1 498 . 58 ASP CB C 43.934 . 1 499 . 58 ASP HB2 H 2.685 . 1 500 . 58 ASP HB3 H 2.565 . 1 501 . 59 GLY H H 7.392 . 1 502 . 59 GLY N N 102.632 . 1 503 . 59 GLY CA C 45.901 . 1 504 . 59 GLY HA2 H 4.036 . 2 505 . 59 GLY HA3 H 3.873 . 2 506 . 59 GLY C C 177.431 . 1 507 . 60 ARG H H 7.957 . 1 508 . 60 ARG N N 117.322 . 1 509 . 60 ARG CA C 57.4 . 1 510 . 60 ARG HA H 4.309 . 1 511 . 60 ARG C C 174.618 . 1 512 . 60 ARG CB C 32.47 . 1 513 . 60 ARG HB2 H 1.966 . 1 514 . 60 ARG HB3 H 1.966 . 1 515 . 60 ARG HG2 H 1.312 . 1 516 . 60 ARG HG3 H 1.312 . 1 517 . 61 ILE H H 8.318 . 1 518 . 61 ILE N N 120.135 . 1 519 . 61 ILE CA C 60.966 . 1 520 . 61 ILE HA H 4.2 . 1 521 . 61 ILE C C 175.556 . 1 522 . 61 ILE CB C 39.128 . 1 523 . 61 ILE HB H 1.756 . 1 524 . 61 ILE HG2 H 0.896 . 1 525 . 61 ILE HG12 H 1.429 . 2 526 . 61 ILE HG13 H 1.366 . 2 527 . 61 ILE HD1 H 0.767 . 1 528 . 62 HIS H H 8.996 . 1 529 . 62 HIS N N 122.684 . 1 530 . 62 HIS CA C 54.785 . 1 531 . 62 HIS HA H 4.821 . 1 532 . 62 HIS C C 174.306 . 1 533 . 62 HIS CB C 33.457 . 1 534 . 62 HIS HB2 H 2.855 . 2 535 . 62 HIS HB3 H 3.251 . 2 536 . 63 LYS H H 8.71 . 1 537 . 63 LYS N N 120.114 . 1 538 . 63 LYS CA C 57.896 . 1 539 . 63 LYS HA H 4.364 . 1 540 . 63 LYS C C 174.306 . 1 541 . 63 LYS CB C 31.924 . 1 542 . 63 LYS HB2 H 1.756 . 2 543 . 63 LYS HB3 H 1.879 . 2 544 . 63 LYS HG2 H 1.442 . 1 545 . 63 LYS HG3 H 1.442 . 1 546 . 63 LYS HD2 H 1.661 . 1 547 . 63 LYS HD3 H 1.661 . 1 548 . 64 GLY H H 9.124 . 1 549 . 64 GLY N N 114.333 . 1 550 . 64 GLY CA C 44.43 . 1 551 . 64 GLY HA2 H 4.671 . 2 552 . 64 GLY HA3 H 3.849 . 2 553 . 64 GLY C C 176.806 . 1 554 . 65 ASP H H 7.98 . 1 555 . 65 ASP N N 121.39 . 1 556 . 65 ASP CA C 55.24 . 1 557 . 65 ASP HA H 4.951 . 1 558 . 65 ASP C C 173.993 . 1 559 . 65 ASP CB C 40.69 . 1 560 . 65 ASP HB2 H 2.61 . 2 561 . 65 ASP HB3 H 2.719 . 2 562 . 66 ARG H H 8.989 . 1 563 . 66 ARG N N 122.684 . 1 564 . 66 ARG CA C 54.36 . 1 565 . 66 ARG HA H 4.381 . 1 566 . 66 ARG C C 174.306 . 1 567 . 66 ARG CB C 33.48 . 1 568 . 66 ARG HB2 H 1.684 . 1 569 . 66 ARG HB3 H 1.684 . 1 570 . 66 ARG HG2 H 1.422 . 1 571 . 66 ARG HG3 H 1.422 . 1 572 . 66 ARG HD2 H 2.58 . 1 573 . 66 ARG HD3 H 2.58 . 1 574 . 67 VAL H H 8.98 . 1 575 . 67 VAL N N 126.073 . 1 576 . 67 VAL CA C 61.73 . 1 577 . 67 VAL HA H 3.873 . 1 578 . 67 VAL C C 175.244 . 1 579 . 67 VAL CB C 30.4 . 1 580 . 67 VAL HB H 1.748 . 1 581 . 67 VAL HG1 H 0.594 . 1 582 . 67 VAL HG2 H 0.594 . 1 583 . 68 LEU H H 9.17 . 1 584 . 68 LEU N N 127.011 . 1 585 . 68 LEU CA C 56.342 . 1 586 . 68 LEU HA H 4.2 . 1 587 . 68 LEU C C 173.993 . 1 588 . 68 LEU CB C 41.794 . 1 589 . 68 LEU HG H 1.312 . 1 590 . 69 ALA H H 7.787 . 1 591 . 69 ALA N N 118.572 . 1 592 . 69 ALA CA C 51.59 . 1 593 . 69 ALA HA H 4.963 . 1 594 . 69 ALA C C 178.369 . 1 595 . 69 ALA CB C 21.72 . 1 596 . 69 ALA HB H 1.04 . 1 597 . 70 VAL H H 8.202 . 1 598 . 70 VAL N N 120.76 . 1 599 . 70 VAL CA C 60.02 . 1 600 . 70 VAL HA H 4.472 . 1 601 . 70 VAL C C 178.369 . 1 602 . 70 VAL CB C 33.453 . 1 603 . 70 VAL HB H 1.693 . 1 604 . 70 VAL HG1 H 0.658 . 1 605 . 70 VAL HG2 H 0.604 . 1 606 . 71 ASN H H 10.45 . 1 607 . 71 ASN N N 128.886 . 1 608 . 71 ASN CA C 53.663 . 1 609 . 71 ASN C C 175.244 . 1 610 . 71 ASN CB C 36.541 . 1 611 . 71 ASN HB2 H 3.11 . 1 612 . 71 ASN HB3 H 3.11 . 1 613 . 72 GLY H H 9.108 . 1 614 . 72 GLY N N 102.945 . 1 615 . 72 GLY CA C 44.9 . 1 616 . 72 GLY HA2 H 4.036 . 2 617 . 72 GLY HA3 H 3.491 . 2 618 . 72 GLY C C 174.931 . 1 619 . 73 VAL H H 8.066 . 1 620 . 73 VAL N N 123.886 . 1 621 . 73 VAL CA C 61.978 . 1 622 . 73 VAL HA H 3.982 . 1 623 . 73 VAL C C 173.681 . 1 624 . 73 VAL CB C 31.484 . 1 625 . 73 VAL HB H 2.184 . 1 626 . 73 VAL HG1 H 0.931 . 1 627 . 73 VAL HG2 H 0.931 . 1 628 . 74 SER H H 8.661 . 1 629 . 74 SER N N 120.114 . 1 630 . 74 SER CA C 57.83 . 1 631 . 74 SER HA H 4.569 . 1 632 . 74 SER C C 173.368 . 1 633 . 74 SER CB C 63.06 . 1 634 . 74 SER HB2 H 3.879 . 1 635 . 74 SER HB3 H 3.879 . 1 636 . 75 LEU H H 8.243 . 1 637 . 75 LEU N N 125.448 . 1 638 . 75 LEU CA C 53.28 . 1 639 . 75 LEU HA H 4.363 . 1 640 . 75 LEU C C 176.181 . 1 641 . 75 LEU CB C 40.788 . 1 642 . 75 LEU HB2 H 1.911 . 2 643 . 75 LEU HB3 H 1.693 . 2 644 . 75 LEU HG H 1.421 . 1 645 . 76 GLU H H 8.284 . 1 646 . 76 GLU N N 123.261 . 1 647 . 76 GLU CA C 58.2 . 1 648 . 76 GLU HA H 4.036 . 1 649 . 76 GLU C C 176.494 . 1 650 . 76 GLU CB C 28.791 . 1 651 . 76 GLU HB2 H 1.911 . 1 652 . 76 GLU HB3 H 1.911 . 1 653 . 77 GLY H H 8.829 . 1 654 . 77 GLY N N 115.134 . 1 655 . 77 GLY CA C 44.96 . 1 656 . 77 GLY HA2 H 4.036 . 2 657 . 77 GLY HA3 H 3.655 . 2 658 . 77 GLY C C 177.431 . 1 659 . 78 ALA H H 7.726 . 1 660 . 78 ALA N N 122.948 . 1 661 . 78 ALA CA C 51.965 . 1 662 . 78 ALA HA H 4.418 . 1 663 . 78 ALA C C 173.368 . 1 664 . 78 ALA CB C 19.39 . 1 665 . 78 ALA HB H 1.312 . 1 666 . 79 THR H H 8.032 . 1 667 . 79 THR N N 109.508 . 1 668 . 79 THR CA C 59.9 . 1 669 . 79 THR HA H 4.745 . 1 670 . 79 THR C C 178.057 . 1 671 . 79 THR CB C 70.7 . 1 672 . 79 THR HB H 4.473 . 1 673 . 79 THR HG2 H 1.312 . 1 674 . 80 HIS H H 9.204 . 1 675 . 80 HIS N N 120.76 . 1 676 . 80 HIS CA C 61.18 . 1 677 . 80 HIS HA H 3.818 . 1 678 . 80 HIS C C 174.618 . 1 679 . 80 HIS CB C 30.9 . 1 680 . 80 HIS HB2 H 3.164 . 1 681 . 80 HIS HB3 H 3.164 . 1 682 . 80 HIS HD2 H 6.728 . 1 683 . 80 HIS HE1 H 7.804 . 1 684 . 81 LYS H H 8.448 . 1 685 . 81 LYS N N 116.697 . 1 686 . 81 LYS CA C 59.4 . 1 687 . 81 LYS HA H 3.818 . 1 688 . 81 LYS C C 176.494 . 1 689 . 81 LYS CB C 32.5 . 1 690 . 81 LYS HB2 H 1.913 . 2 691 . 81 LYS HB3 H 1.722 . 2 692 . 81 LYS HG2 H 1.367 . 1 693 . 81 LYS HG3 H 1.367 . 1 694 . 82 GLN H H 7.705 . 1 695 . 82 GLN N N 117.322 . 1 696 . 82 GLN CA C 57.845 . 1 697 . 82 GLN HA H 4.036 . 1 698 . 82 GLN C C 178.369 . 1 699 . 82 GLN CB C 28.396 . 1 700 . 82 GLN HB2 H 1.911 . 2 701 . 82 GLN HB3 H 1.966 . 2 702 . 82 GLN HG2 H 2.238 . 1 703 . 82 GLN HG3 H 2.238 . 1 704 . 83 ALA H H 8.72 . 1 705 . 83 ALA N N 124.198 . 1 706 . 83 ALA CA C 55.343 . 1 707 . 83 ALA HA H 3.818 . 1 708 . 83 ALA C C 179.307 . 1 709 . 83 ALA CB C 18.42 . 1 710 . 83 ALA HB H 1.312 . 1 711 . 84 VAL H H 8.325 . 1 712 . 84 VAL N N 116.697 . 1 713 . 84 VAL CA C 66.7 . 1 714 . 84 VAL HA H 3.382 . 1 715 . 84 VAL C C 178.057 . 1 716 . 84 VAL CB C 31.3 . 1 717 . 84 VAL HB H 1.966 . 1 718 . 84 VAL HG1 H 0.713 . 1 719 . 84 VAL HG2 H 0.767 . 1 720 . 85 GLU H H 8.134 . 1 721 . 85 GLU N N 120.135 . 1 722 . 85 GLU CA C 58.91 . 1 723 . 85 GLU HA H 3.982 . 1 724 . 85 GLU C C 178.994 . 1 725 . 85 GLU CB C 28.7 . 1 726 . 85 GLU HB2 H 2.02 . 2 727 . 85 GLU HB3 H 2.075 . 2 728 . 85 GLU HG2 H 2.302 . 2 729 . 85 GLU HG3 H 2.371 . 2 730 . 86 THR H H 8.248 . 1 731 . 86 THR N N 117.009 . 1 732 . 86 THR CA C 67.802 . 1 733 . 86 THR HA H 4.145 . 1 734 . 86 THR C C 174.931 . 1 735 . 86 THR CB C 66.677 . 1 736 . 86 THR HB H 3.824 . 1 737 . 86 THR HG2 H 1.04 . 1 738 . 87 LEU H H 7.903 . 1 739 . 87 LEU N N 119.51 . 1 740 . 87 LEU CA C 57.7 . 1 741 . 87 LEU HA H 3.818 . 1 742 . 87 LEU C C 176.494 . 1 743 . 87 LEU CB C 41.247 . 1 744 . 87 LEU HB2 H 1.857 . 1 745 . 87 LEU HB3 H 1.857 . 1 746 . 87 LEU HG H 1.366 . 1 747 . 88 ARG H H 8.202 . 1 748 . 88 ARG N N 120.76 . 1 749 . 88 ARG CA C 58.27 . 1 750 . 88 ARG HA H 4.036 . 1 751 . 88 ARG C C 178.369 . 1 752 . 88 ARG CB C 30.274 . 1 753 . 88 ARG HB2 H 1.857 . 1 754 . 88 ARG HB3 H 1.857 . 1 755 . 89 ASN H H 7.814 . 1 756 . 89 ASN N N 119.197 . 1 757 . 89 ASN CA C 52.29 . 1 758 . 89 ASN HA H 4.908 . 1 759 . 89 ASN C C 177.744 . 1 760 . 89 ASN CB C 36.654 . 1 761 . 89 ASN HB2 H 2.729 . 2 762 . 89 ASN HB3 H 2.947 . 2 763 . 90 THR H H 7.685 . 1 764 . 90 THR N N 109.821 . 1 765 . 90 THR CA C 59.471 . 1 766 . 90 THR HA H 4.363 . 1 767 . 90 THR C C 174.618 . 1 768 . 90 THR CB C 72.3 . 1 769 . 90 THR HB H 4.282 . 1 770 . 90 THR CG2 C 21.7 . 1 771 . 90 THR HG2 H 1.203 . 1 772 . 91 GLY H H 8.495 . 1 773 . 91 GLY N N 109.508 . 1 774 . 91 GLY CA C 43.559 . 1 775 . 91 GLY HA2 H 4.363 . 2 776 . 91 GLY HA3 H 3.709 . 2 777 . 91 GLY C C 174.931 . 1 778 . 92 GLN H H 8.264 . 1 779 . 92 GLN N N 117.322 . 1 780 . 92 GLN CA C 57.8 . 1 781 . 92 GLN HA H 3.927 . 1 782 . 92 GLN C C 173.494 . 1 783 . 92 GLN CB C 28.47 . 1 784 . 92 GLN HB2 H 2.075 . 1 785 . 92 GLN HB3 H 2.075 . 1 786 . 92 GLN HG2 H 2.402 . 1 787 . 92 GLN HG3 H 2.402 . 1 788 . 93 VAL H H 7.78 . 1 789 . 93 VAL N N 116.196 . 1 790 . 93 VAL CA C 61.047 . 1 791 . 93 VAL HA H 4.636 . 1 792 . 93 VAL C C 174.931 . 1 793 . 93 VAL CB C 32.676 . 1 794 . 93 VAL HB H 1.802 . 1 795 . 93 VAL HG1 H 0.822 . 1 796 . 93 VAL HG2 H 0.658 . 1 797 . 94 VAL H H 9.061 . 1 798 . 94 VAL N N 128.574 . 1 799 . 94 VAL CA C 60.75 . 1 800 . 94 VAL HA H 4.363 . 1 801 . 94 VAL C C 173.056 . 1 802 . 94 VAL CB C 34.4 . 1 803 . 94 VAL HB H 1.802 . 1 804 . 94 VAL HG1 H 0.822 . 1 805 . 94 VAL HG2 H 0.93 . 1 806 . 95 HIS H H 8.788 . 1 807 . 95 HIS N N 126.073 . 1 808 . 95 HIS CA C 55.643 . 1 809 . 95 HIS HA H 4.963 . 1 810 . 95 HIS CB C 31.249 . 1 811 . 95 HIS HB2 H 3.11 . 1 812 . 95 HIS HB3 H 3.11 . 1 813 . 95 HIS HD2 H 7.028 . 1 814 . 95 HIS HE1 H 7.613 . 1 815 . 96 LEU H H 9.054 . 1 816 . 96 LEU N N 126.699 . 1 817 . 96 LEU CA C 53.091 . 1 818 . 96 LEU HA H 4.963 . 1 819 . 96 LEU C C 173.993 . 1 820 . 96 LEU CB C 44.6 . 1 821 . 96 LEU HB2 H 1.606 . 2 822 . 96 LEU HB3 H 1.53 . 2 823 . 96 LEU HD1 H 0.719 . 1 824 . 96 LEU HD2 H 0.651 . 1 825 . 96 LEU HG H 1.019 . 1 826 . 97 LEU H H 8.053 . 1 827 . 97 LEU N N 124.511 . 1 828 . 97 LEU CA C 53.16 . 1 829 . 97 LEU HA H 4.69 . 1 830 . 97 LEU C C 173.056 . 1 831 . 97 LEU CB C 44.985 . 1 832 . 97 LEU HB2 H 1.388 . 2 833 . 97 LEU HB3 H 1.748 . 2 834 . 97 LEU HD1 H 0.76 . 1 835 . 97 LEU HD2 H 0.76 . 1 836 . 97 LEU HG H 1.279 . 1 837 . 98 LEU H H 8.924 . 1 838 . 98 LEU N N 127.324 . 1 839 . 98 LEU CA C 53.8 . 1 840 . 98 LEU HA H 5.235 . 1 841 . 98 LEU C C 174.306 . 1 842 . 98 LEU CB C 45.6 . 1 843 . 98 LEU HD1 H 0.931 . 1 844 . 98 LEU HD2 H 0.168 . 1 845 . 98 LEU HG H 1.203 . 1 846 . 99 GLU H H 8.815 . 1 847 . 99 GLU N N 118.885 . 1 848 . 99 GLU CA C 53.24 . 1 849 . 99 GLU HA H 5.072 . 1 850 . 99 GLU C C 173.368 . 1 851 . 99 GLU CB C 33.5 . 1 852 . 99 GLU HB2 H 1.911 . 1 853 . 99 GLU HB3 H 1.911 . 1 854 . 100 LYS H H 9.376 . 1 855 . 100 LYS N N 128.886 . 1 856 . 100 LYS CA C 55.57 . 1 857 . 100 LYS HA H 4.363 . 1 858 . 100 LYS CB C 31.4 . 1 859 . 100 LYS HB2 H 1.75 . 2 860 . 100 LYS HB3 H 2.293 . 2 861 . 100 LYS HG2 H 1.436 . 1 862 . 100 LYS HG3 H 1.436 . 1 863 . 100 LYS HD2 H 1.584 . 1 864 . 100 LYS HD3 H 1.584 . 1 865 . 100 LYS HE2 H 1.985 . 1 866 . 100 LYS HE3 H 1.985 . 1 867 . 101 GLY H H 9.742 . 1 868 . 101 GLY N N 117.947 . 1 869 . 101 GLY CA C 44.835 . 1 870 . 101 GLY HA2 H 4.254 . 2 871 . 101 GLY HA3 H 3.818 . 2 872 . 101 GLY C C 177.744 . 1 873 . 102 GLN H H 8.291 . 1 874 . 102 GLN N N 116.697 . 1 875 . 102 GLN CA C 54.73 . 1 876 . 102 GLN HA H 4.254 . 1 877 . 102 GLN C C 172.868 . 1 878 . 102 GLN CB C 29.39 . 1 879 . 102 GLN HB2 H 1.857 . 1 880 . 102 GLN HB3 H 1.857 . 1 881 . 102 GLN HG2 H 2.347 . 1 882 . 102 GLN HG3 H 2.347 . 1 883 . 103 SER H H 8.535 . 1 884 . 103 SER N N 118.19 . 1 885 . 103 SER CA C 56.331 . 1 886 . 103 SER HA H 4.671 . 1 887 . 103 SER CB C 62.532 . 1 888 . 103 SER HB2 H 3.804 . 1 889 . 103 SER HB3 H 3.804 . 1 890 . 104 PRO CA C 63.019 . 1 891 . 104 PRO HA H 4.472 . 1 892 . 104 PRO CB C 31.439 . 1 893 . 104 PRO HB2 H 1.941 . 2 894 . 104 PRO HB3 H 2.238 . 2 895 . 104 PRO HG2 H 1.911 . 1 896 . 104 PRO HG3 H 1.911 . 1 897 . 104 PRO HD2 H 3.764 . 1 898 . 104 PRO HD3 H 3.764 . 1 899 . 105 THR H H 8.277 . 1 900 . 105 THR N N 113.571 . 1 901 . 105 THR CA C 61.423 . 1 902 . 105 THR HA H 4.241 . 1 903 . 105 THR C C 176.806 . 1 904 . 105 THR CB C 69.304 . 1 905 . 105 THR HB H 4.2 . 1 906 . 105 THR HG2 H 1.148 . 1 907 . 106 SER H H 8.257 . 1 908 . 106 SER N N 118.26 . 1 909 . 106 SER CA C 57.85 . 1 910 . 106 SER HA H 4.254 . 1 911 . 106 SER C C 174.306 . 1 912 . 106 SER CB C 63.524 . 1 913 . 106 SER HB2 H 3.818 . 1 914 . 106 SER HB3 H 3.818 . 1 915 . 107 LYS H H 8.427 . 1 916 . 107 LYS N N 123.573 . 1 917 . 107 LYS CA C 55.868 . 1 918 . 107 LYS HA H 4.418 . 1 919 . 107 LYS C C 173.993 . 1 920 . 107 LYS CB C 32.525 . 1 921 . 107 LYS HB2 H 1.879 . 2 922 . 107 LYS HB3 H 1.693 . 2 923 . 107 LYS HG2 H 1.421 . 1 924 . 107 LYS HG3 H 1.421 . 1 925 . 107 LYS HD2 H 1.674 . 1 926 . 107 LYS HD3 H 1.674 . 1 927 . 107 LYS HE2 H 2.978 . 1 928 . 107 LYS HE3 H 2.978 . 1 929 . 108 GLU H H 8.046 . 1 930 . 108 GLU N N 127.011 . 1 931 . 108 GLU HA H 4.309 . 1 932 . 108 GLU C C 175.244 . 1 933 . 108 GLU HB2 H 1.748 . 1 934 . 108 GLU HB3 H 1.748 . 1 935 . 108 GLU HG2 H 2.184 . 1 936 . 108 GLU HG3 H 2.184 . 1 stop_ save_