data_6911 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 13C, 15N and 1H assignment of the PDZ1 domain of hMAGI-1 using QUASI ; _BMRB_accession_number 6911 _BMRB_flat_file_name bmr6911.str _Entry_type original _Submission_date 2005-12-01 _Accession_date 2005-12-01 _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 Charbonnier Sebastian . . 2 Coutouly Marie-Aude . . 3 Kieffer Bruno . . 4 Trave Gilles . . 5 Atkinson R. Andrew . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 619 "13C chemical shifts" 369 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-05-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '13C, 15N and 1H Resonance Assignment of the PDZ1 domain of MAGI-1 using QUASI' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16636753 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Charbonnier Sebastian . . 2 Coutouly Marie-Aude . . 3 Kieffer Bruno . . 4 Trave Gilles . . 5 Atkinson R. Andrew . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 33 _Page_last 33 _Year 2006 _Details . loop_ _Keyword Assignment MAGI-1 PDZ1 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MAGI-1 PDZ1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAGI-1 PDZ1' $MAGI-1_PDZ1 stop_ _System_molecular_weight 13855.8 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'protein-protein interaction domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MAGI-1_PDZ1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'MAGI PDZ1' _Molecular_mass 13855.8 _Mol_thiol_state 'all free' loop_ _Biological_function 'protein-protein interaction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GAMGKPFFTRNPSELKGKFI HTKLRKSSRGFGFTVVGGDE PDEFLQIKSLVLDGPAALDG KMETGDVIVSVNDTCVLGHT HAQVVKIFQSIPIGASVDLE LCRGYPLPFDPDDPNTSLVT SVAILDKEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 ALA 3 -2 MET 4 -1 GLY 5 1 LYS 6 2 PRO 7 3 PHE 8 4 PHE 9 5 THR 10 6 ARG 11 7 ASN 12 8 PRO 13 9 SER 14 10 GLU 15 11 LEU 16 12 LYS 17 13 GLY 18 14 LYS 19 15 PHE 20 16 ILE 21 17 HIS 22 18 THR 23 19 LYS 24 20 LEU 25 21 ARG 26 22 LYS 27 23 SER 28 24 SER 29 25 ARG 30 26 GLY 31 27 PHE 32 28 GLY 33 29 PHE 34 30 THR 35 31 VAL 36 32 VAL 37 33 GLY 38 34 GLY 39 35 ASP 40 36 GLU 41 37 PRO 42 38 ASP 43 39 GLU 44 40 PHE 45 41 LEU 46 42 GLN 47 43 ILE 48 44 LYS 49 45 SER 50 46 LEU 51 47 VAL 52 48 LEU 53 49 ASP 54 50 GLY 55 51 PRO 56 52 ALA 57 53 ALA 58 54 LEU 59 55 ASP 60 56 GLY 61 57 LYS 62 58 MET 63 59 GLU 64 60 THR 65 61 GLY 66 62 ASP 67 63 VAL 68 64 ILE 69 65 VAL 70 66 SER 71 67 VAL 72 68 ASN 73 69 ASP 74 70 THR 75 71 CYS 76 72 VAL 77 73 LEU 78 74 GLY 79 75 HIS 80 76 THR 81 77 HIS 82 78 ALA 83 79 GLN 84 80 VAL 85 81 VAL 86 82 LYS 87 83 ILE 88 84 PHE 89 85 GLN 90 86 SER 91 87 ILE 92 88 PRO 93 89 ILE 94 90 GLY 95 91 ALA 96 92 SER 97 93 VAL 98 94 ASP 99 95 LEU 100 96 GLU 101 97 LEU 102 98 CYS 103 99 ARG 104 100 GLY 105 101 TYR 106 102 PRO 107 103 LEU 108 104 PRO 109 105 PHE 110 106 ASP 111 107 PRO 112 108 ASP 113 109 ASP 114 110 PRO 115 111 ASN 116 112 THR 117 113 SER 118 114 LEU 119 115 VAL 120 116 THR 121 117 SER 122 118 VAL 123 119 ALA 124 120 ILE 125 121 LEU 126 122 ASP 127 123 LYS 128 124 GLU 129 125 PRO 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 16558 MAGI-1_PDZ1 100.00 129 100.00 100.00 5.27e-87 BMRB 16559 MAGI-1_PDZ1 100.00 129 100.00 100.00 5.27e-87 PDB 2I04 "X-Ray Crystal Structure Of Magi-1 Pdz1 Bound To The C- Terminal Peptide Of Hpv18 E6" 65.12 85 100.00 100.00 5.73e-52 PDB 2KPK "Magi-1 Pdz1" 100.00 129 100.00 100.00 5.27e-87 PDB 2KPL "Magi-1 Pdz1 E6CT" 100.00 129 100.00 100.00 5.27e-87 REF XP_006108887 "PREDICTED: membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1-like, partial [Myotis lucifugus]" 52.71 91 100.00 100.00 3.36e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MAGI-1_PDZ1 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 $MAGI-1_PDZ1 'recombinant technology' 'E. coli' Escherichia coli BL21-DE3 plasmid PETM-41 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C,15N-labelled MAGI-1 PDZ1 domain in aqueous solution' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAGI-1_PDZ1 0.125 mM '[U-100% 13C; U-100% 15N]' Tris-HCl 25 mM . NaCl 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_Acquisition _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task acquisition stop_ _Details . save_ save_Processing _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address NIH . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address ETH . . stop_ loop_ _Task analysis stop_ _Details . save_ save_Assignment _Saveframe_category software _Name QUASI _Version . loop_ _Vendor _Address _Electronic_address UMR7104 . . stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'DRX Avance' _Field_strength 600 _Details ; 13C, 15N, 2H, 1H cryoprobe z-gradients ; save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_15N-edited_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-edited_NOESY _Sample_label $sample_1 save_ save_15N-edited_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-edited_TOCSY _Sample_label $sample_1 save_ save_1H13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C_HSQC _Sample_label $sample_1 save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_1 save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_13C-edited_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-edited_NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 pH temperature 295 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 1H15N_HSQC 15N-edited_NOESY 15N-edited_TOCSY 1H13C_HSQC HN(CO)CA HNCA HN(CO)CACB HNCACB HNCO HN(CA)CO HCCH-COSY HCCH-TOCSY 13C-edited_NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'MAGI-1 PDZ1' _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 5 LYS HA H 4.236 0.004 1 2 1 5 LYS HB2 H 1.447 0.004 1 3 1 5 LYS HB3 H 1.447 0.004 1 4 1 5 LYS HG2 H 1.435 0.004 2 5 1 5 LYS HG3 H 1.202 0.004 2 6 1 5 LYS HD2 H 1.651 0.004 1 7 1 5 LYS HD3 H 1.651 0.004 1 8 1 5 LYS HE2 H 3.036 0.004 2 9 1 5 LYS HE3 H 2.974 0.004 2 10 1 5 LYS CA C 52.749 0.010 1 11 1 5 LYS CB C 31.251 0.010 1 12 1 5 LYS CG C 23.251 0.010 1 13 1 5 LYS CD C 26.251 0.010 1 14 1 5 LYS CE C 40.250 0.010 1 15 2 6 PRO HA H 4.398 0.004 1 16 2 6 PRO HB2 H 2.265 0.004 2 17 2 6 PRO HB3 H 1.809 0.004 2 18 2 6 PRO HG2 H 2.003 0.004 2 19 2 6 PRO HG3 H 1.961 0.004 2 20 2 6 PRO HD2 H 3.911 0.004 2 21 2 6 PRO HD3 H 3.345 0.004 2 22 2 6 PRO CA C 60.498 0.010 1 23 2 6 PRO CB C 29.751 0.010 1 24 2 6 PRO CG C 25.251 0.010 1 25 2 6 PRO CD C 47.999 0.010 1 26 3 7 PHE H H 8.231 0.004 1 27 3 7 PHE HA H 4.276 0.004 1 28 3 7 PHE HB2 H 3.074 0.004 2 29 3 7 PHE HB3 H 2.809 0.004 2 30 3 7 PHE CA C 55.748 0.010 1 31 3 7 PHE CB C 37.500 0.010 1 32 3 7 PHE N N 121.076 0.010 1 33 4 8 PHE H H 8.143 0.004 1 34 4 8 PHE HA H 4.715 0.004 1 35 4 8 PHE HB2 H 2.650 0.004 2 36 4 8 PHE HB3 H 2.381 0.004 2 37 4 8 PHE CA C 47.999 0.010 1 38 4 8 PHE CB C 40.000 0.010 1 39 4 8 PHE N N 126.551 0.010 1 40 5 9 THR HA H 3.688 0.004 1 41 5 9 THR HB H 3.844 0.004 1 42 5 9 THR HG2 H 0.809 0.004 1 43 5 9 THR CA C 56.748 0.010 1 44 5 9 THR CB C 65.997 0.010 1 45 5 9 THR CG2 C 17.502 0.010 1 46 6 10 ARG H H 7.739 0.004 1 47 6 10 ARG HA H 4.007 0.004 1 48 6 10 ARG HB2 H 1.824 0.004 2 49 6 10 ARG HB3 H 1.502 0.004 2 50 6 10 ARG HG2 H 1.613 0.004 2 51 6 10 ARG HG3 H 1.487 0.004 2 52 6 10 ARG HD2 H 3.197 0.004 1 53 6 10 ARG HD3 H 3.197 0.004 1 54 6 10 ARG CA C 53.498 0.010 1 55 6 10 ARG CB C 29.001 0.010 1 56 6 10 ARG CG C 26.251 0.010 1 57 6 10 ARG CD C 41.250 0.010 1 58 6 10 ARG N N 119.603 0.010 1 59 7 11 ASN H H 8.452 0.004 1 60 7 11 ASN HA H 5.009 0.004 1 61 7 11 ASN HB2 H 2.707 0.004 2 62 7 11 ASN HB3 H 2.484 0.004 2 63 7 11 ASN CA C 46.999 0.010 1 64 7 11 ASN CB C 37.250 0.010 1 65 7 11 ASN N N 120.735 0.010 1 66 8 12 PRO HA H 4.095 0.004 1 67 8 12 PRO HB2 H 2.094 0.004 2 68 8 12 PRO HB3 H 1.769 0.004 2 69 8 12 PRO HG2 H 1.877 0.004 2 70 8 12 PRO HG3 H 1.846 0.004 2 71 8 12 PRO HD2 H 3.658 0.004 2 72 8 12 PRO HD3 H 3.563 0.004 2 73 8 12 PRO CA C 62.498 0.010 1 74 8 12 PRO CB C 29.751 0.010 1 75 8 12 PRO CG C 25.001 0.010 1 76 8 12 PRO CD C 47.999 0.010 1 77 9 13 SER H H 7.827 0.004 1 78 9 13 SER HA H 4.181 0.004 1 79 9 13 SER HB2 H 3.799 0.004 1 80 9 13 SER HB3 H 3.799 0.004 1 81 9 13 SER CA C 58.248 0.010 1 82 9 13 SER CB C 60.498 0.010 1 83 9 13 SER N N 110.235 0.010 1 84 10 14 GLU H H 7.958 0.004 1 85 10 14 GLU HA H 4.243 0.004 1 86 10 14 GLU HB2 H 2.257 0.004 2 87 10 14 GLU HB3 H 2.212 0.004 2 88 10 14 GLU HG2 H 2.197 0.004 2 89 10 14 GLU HG3 H 2.114 0.004 2 90 10 14 GLU CA C 53.498 0.010 1 91 10 14 GLU CB C 28.251 0.010 1 92 10 14 GLU CG C 34.750 0.010 1 93 10 14 GLU N N 119.447 0.010 1 94 11 15 LEU H H 7.131 0.004 1 95 11 15 LEU HA H 4.300 0.004 1 96 11 15 LEU HB2 H 2.031 0.004 2 97 11 15 LEU HB3 H 1.679 0.004 2 98 11 15 LEU HG H 0.849 0.004 1 99 11 15 LEU HD1 H 0.668 0.004 1 100 11 15 LEU HD2 H 0.668 0.004 1 101 11 15 LEU CA C 52.999 0.010 1 102 11 15 LEU CB C 40.500 0.010 1 103 11 15 LEU CG C 25.751 0.010 1 104 11 15 LEU CD1 C 22.002 0.010 1 105 11 15 LEU N N 119.681 0.010 1 106 12 16 LYS H H 8.228 0.004 1 107 12 16 LYS HA H 4.431 0.004 1 108 12 16 LYS HB2 H 1.520 0.004 2 109 12 16 LYS HB3 H 1.414 0.004 2 110 12 16 LYS HG2 H 1.258 0.004 2 111 12 16 LYS HG3 H 1.156 0.004 2 112 12 16 LYS HD2 H 1.464 0.004 1 113 12 16 LYS HD3 H 1.464 0.004 1 114 12 16 LYS HE2 H 2.815 0.004 1 115 12 16 LYS HE3 H 2.815 0.004 1 116 12 16 LYS CA C 51.999 0.010 1 117 12 16 LYS CB C 31.001 0.010 1 118 12 16 LYS CG C 22.252 0.010 1 119 12 16 LYS CD C 26.501 0.010 1 120 12 16 LYS CE C 39.750 0.010 1 121 12 16 LYS N N 121.984 0.010 1 122 13 17 GLY H H 7.327 0.004 1 123 13 17 GLY HA2 H 3.947 0.004 2 124 13 17 GLY HA3 H 3.576 0.004 2 125 13 17 GLY CA C 42.250 0.010 1 126 13 17 GLY N N 106.488 0.010 1 127 14 18 LYS H H 7.977 0.004 1 128 14 18 LYS HA H 4.442 0.004 1 129 14 18 LYS HB2 H 1.557 0.004 1 130 14 18 LYS HB3 H 1.557 0.004 1 131 14 18 LYS HG2 H 1.321 0.004 2 132 14 18 LYS HG3 H 1.182 0.004 2 133 14 18 LYS HD2 H 1.508 0.004 1 134 14 18 LYS HD3 H 1.508 0.004 1 135 14 18 LYS HE2 H 2.831 0.004 1 136 14 18 LYS HE3 H 2.831 0.004 1 137 14 18 LYS CA C 51.999 0.010 1 138 14 18 LYS CB C 32.751 0.010 1 139 14 18 LYS CG C 22.252 0.010 1 140 14 18 LYS CD C 27.001 0.010 1 141 14 18 LYS CE C 39.500 0.010 1 142 14 18 LYS N N 120.071 0.010 1 143 15 19 PHE H H 8.914 0.004 1 144 15 19 PHE HA H 5.240 0.004 1 145 15 19 PHE HB2 H 2.903 0.004 2 146 15 19 PHE HB3 H 2.757 0.004 2 147 15 19 PHE CA C 55.498 0.010 1 148 15 19 PHE CB C 37.750 0.010 1 149 15 19 PHE N N 124.872 0.010 1 150 16 20 ILE H H 8.798 0.004 1 151 16 20 ILE HA H 4.219 0.004 1 152 16 20 ILE HB H 1.396 0.004 1 153 16 20 ILE HG12 H 1.156 0.004 2 154 16 20 ILE HG13 H 1.072 0.004 2 155 16 20 ILE HG2 H 0.614 0.004 1 156 16 20 ILE HD1 H 0.531 0.004 1 157 16 20 ILE CA C 57.248 0.010 1 158 16 20 ILE CB C 39.500 0.010 1 159 16 20 ILE CG1 C 25.501 0.010 1 160 16 20 ILE CG2 C 16.002 0.010 1 161 16 20 ILE CD1 C 11.503 0.010 1 162 16 20 ILE N N 124.365 0.010 1 163 17 21 HIS H H 8.406 0.004 1 164 17 21 HIS HA H 5.430 0.004 1 165 17 21 HIS HB2 H 2.969 0.004 2 166 17 21 HIS HB3 H 2.883 0.004 2 167 17 21 HIS CA C 52.499 0.010 1 168 17 21 HIS CB C 30.501 0.010 1 169 17 21 HIS N N 125.536 0.010 1 170 18 22 THR H H 8.443 0.004 1 171 18 22 THR HA H 4.518 0.004 1 172 18 22 THR HB H 3.696 0.004 1 173 18 22 THR HG2 H 0.724 0.004 1 174 18 22 THR CA C 57.748 0.010 1 175 18 22 THR CB C 66.747 0.010 1 176 18 22 THR CG2 C 16.752 0.010 1 177 18 22 THR N N 116.285 0.010 1 178 19 23 LYS H H 7.871 0.004 1 179 19 23 LYS HA H 5.471 0.004 1 180 19 23 LYS HB2 H 1.593 0.004 2 181 19 23 LYS HB3 H 1.552 0.004 2 182 19 23 LYS HG2 H 1.250 0.004 2 183 19 23 LYS HG3 H 1.118 0.004 2 184 19 23 LYS HD2 H 1.556 0.004 1 185 19 23 LYS HD3 H 1.556 0.004 1 186 19 23 LYS HE2 H 2.833 0.004 1 187 19 23 LYS HE3 H 2.833 0.004 1 188 19 23 LYS CA C 52.249 0.010 1 189 19 23 LYS CB C 32.751 0.010 1 190 19 23 LYS CG C 22.002 0.010 1 191 19 23 LYS CD C 27.001 0.010 1 192 19 23 LYS CE C 38.750 0.010 1 193 19 23 LYS N N 126.355 0.010 1 194 20 24 LEU H H 8.434 0.004 1 195 20 24 LEU HA H 4.864 0.004 1 196 20 24 LEU HB2 H 1.585 0.004 2 197 20 24 LEU HB3 H 1.295 0.004 2 198 20 24 LEU HG H 0.776 0.004 1 199 20 24 LEU HD1 H 1.413 0.004 2 200 20 24 LEU HD2 H 0.808 0.004 2 201 20 24 LEU CA C 50.249 0.010 1 202 20 24 LEU CB C 44.499 0.010 1 203 20 24 LEU CG C 24.251 0.010 1 204 20 24 LEU CD1 C 24.501 0.010 2 205 20 24 LEU CD2 C 21.502 0.010 2 206 20 24 LEU N N 122.491 0.010 1 207 21 25 ARG H H 8.656 0.004 1 208 21 25 ARG HA H 4.691 0.004 1 209 21 25 ARG HB2 H 1.549 0.004 2 210 21 25 ARG HB3 H 1.516 0.004 2 211 21 25 ARG HG2 H 1.265 0.004 2 212 21 25 ARG HG3 H 1.162 0.004 2 213 21 25 ARG HD2 H 3.023 0.004 1 214 21 25 ARG HD3 H 3.023 0.004 1 215 21 25 ARG CA C 52.499 0.010 1 216 21 25 ARG CB C 29.001 0.010 1 217 21 25 ARG CG C 25.251 0.010 1 218 21 25 ARG CD C 41.000 0.010 1 219 21 25 ARG N N 123.311 0.010 1 220 22 26 LYS H H 8.699 0.004 1 221 22 26 LYS HA H 2.999 0.004 1 222 22 26 LYS HB2 H 1.735 0.004 2 223 22 26 LYS HB3 H 1.133 0.004 2 224 22 26 LYS HG2 H 1.180 0.004 2 225 22 26 LYS HG3 H -0.486 0.004 2 226 22 26 LYS HD2 H 1.222 0.004 2 227 22 26 LYS HD3 H 1.015 0.004 2 228 22 26 LYS HE2 H 2.532 0.004 2 229 22 26 LYS HE3 H 2.436 0.004 2 230 22 26 LYS CA C 55.748 0.010 1 231 22 26 LYS CB C 30.751 0.010 1 232 22 26 LYS CG C 23.251 0.010 1 233 22 26 LYS CD C 27.001 0.010 1 234 22 26 LYS CE C 40.000 0.010 1 235 22 26 LYS N N 126.511 0.010 1 236 23 27 SER H H 7.460 0.004 1 237 23 27 SER HA H 4.801 0.004 1 238 23 27 SER HB2 H 4.272 0.004 2 239 23 27 SER HB3 H 3.872 0.004 2 240 23 27 SER CA C 54.748 0.010 1 241 23 27 SER CB C 64.497 0.010 1 242 23 27 SER N N 125.419 0.010 1 243 24 28 SER HA H 3.982 0.004 1 244 24 28 SER HB2 H 3.909 0.004 2 245 24 28 SER HB3 H 3.844 0.004 2 246 24 28 SER CA C 59.248 0.010 1 247 24 28 SER CB C 59.998 0.010 1 248 25 29 ARG HA H 4.412 0.004 1 249 25 29 ARG HB2 H 1.934 0.004 2 250 25 29 ARG HB3 H 1.339 0.004 2 251 25 29 ARG HG2 H 1.474 0.004 2 252 25 29 ARG HG3 H 1.431 0.004 2 253 25 29 ARG HD2 H 3.027 0.004 1 254 25 29 ARG HD3 H 3.027 0.004 1 255 25 29 ARG CA C 52.749 0.010 1 256 25 29 ARG CB C 27.751 0.010 1 257 25 29 ARG CG C 24.751 0.010 1 258 25 29 ARG CD C 41.000 0.010 1 259 26 30 GLY HA2 H 4.313 0.004 2 260 26 30 GLY HA3 H 3.433 0.004 2 261 26 30 GLY CA C 42.500 0.010 1 262 27 31 PHE HA H 4.409 0.004 1 263 27 31 PHE HB2 H 3.108 0.004 2 264 27 31 PHE HB3 H 2.065 0.004 2 265 27 31 PHE CA C 57.248 0.010 1 266 27 31 PHE CB C 39.000 0.010 1 267 28 32 GLY HA2 H 4.167 0.004 2 268 28 32 GLY HA3 H 3.816 0.004 2 269 28 32 GLY CA C 43.749 0.010 1 270 29 33 PHE H H 7.155 0.004 1 271 29 33 PHE HA H 5.584 0.004 1 272 29 33 PHE HB2 H 3.184 0.004 2 273 29 33 PHE HB3 H 2.839 0.004 2 274 29 33 PHE CA C 53.498 0.010 1 275 29 33 PHE CB C 39.500 0.010 1 276 29 33 PHE N N 115.582 0.010 1 277 30 34 THR H H 8.544 0.004 1 278 30 34 THR HA H 4.739 0.004 1 279 30 34 THR HB H 4.259 0.004 1 280 30 34 THR HG2 H 1.052 0.004 1 281 30 34 THR CA C 57.748 0.010 1 282 30 34 THR CB C 68.997 0.010 1 283 30 34 THR CG2 C 19.252 0.010 1 284 30 34 THR N N 113.123 0.010 1 285 31 35 VAL H H 9.011 0.004 1 286 31 35 VAL HA H 5.110 0.004 1 287 31 35 VAL HB H 1.917 0.004 1 288 31 35 VAL HG1 H 0.916 0.004 2 289 31 35 VAL HG2 H 0.904 0.004 2 290 31 35 VAL CA C 58.498 0.010 1 291 31 35 VAL CB C 33.001 0.010 1 292 31 35 VAL CG1 C 21.002 0.010 2 293 31 35 VAL CG2 C 20.002 0.010 2 294 31 35 VAL N N 122.179 0.010 1 295 32 36 VAL H H 9.330 0.004 1 296 32 36 VAL HA H 4.668 0.004 1 297 32 36 VAL HB H 2.032 0.004 1 298 32 36 VAL HG1 H 0.931 0.004 2 299 32 36 VAL HG2 H 0.803 0.004 2 300 32 36 VAL CA C 57.248 0.010 1 301 32 36 VAL CB C 33.250 0.010 1 302 32 36 VAL CG1 C 18.002 0.010 2 303 32 36 VAL CG2 C 18.252 0.010 2 304 32 36 VAL N N 122.374 0.010 1 305 33 37 GLY H H 8.095 0.004 1 306 33 37 GLY HA2 H 5.094 0.004 2 307 33 37 GLY HA3 H 3.794 0.004 2 308 33 37 GLY CA C 41.250 0.010 1 309 33 37 GLY N N 110.352 0.010 1 310 34 38 GLY H H 7.547 0.004 1 311 34 38 GLY HA2 H 3.952 0.004 1 312 34 38 GLY HA3 H 3.952 0.004 1 313 34 38 GLY CA C 44.249 0.010 1 314 34 38 GLY N N 102.780 0.010 1 315 35 39 ASP H H 8.522 0.004 1 316 35 39 ASP HA H 4.516 0.004 1 317 35 39 ASP HB2 H 2.634 0.004 1 318 35 39 ASP HB3 H 2.634 0.004 1 319 35 39 ASP CA C 54.248 0.010 1 320 35 39 ASP CB C 39.000 0.010 1 321 35 39 ASP N N 120.696 0.010 1 322 36 40 GLU H H 7.428 0.004 1 323 36 40 GLU HA H 4.447 0.004 1 324 36 40 GLU HB2 H 1.934 0.004 2 325 36 40 GLU HB3 H 1.427 0.004 2 326 36 40 GLU HG2 H 2.100 0.004 2 327 36 40 GLU HG3 H 2.011 0.004 2 328 36 40 GLU CA C 50.749 0.010 1 329 36 40 GLU CB C 29.001 0.010 1 330 36 40 GLU CG C 33.500 0.010 1 331 36 40 GLU N N 117.300 0.010 1 332 37 41 PRO HA H 3.981 0.004 1 333 37 41 PRO HB2 H 2.097 0.004 2 334 37 41 PRO HB3 H 1.623 0.004 2 335 37 41 PRO HG2 H 1.791 0.004 2 336 37 41 PRO HG3 H 1.705 0.004 2 337 37 41 PRO HD2 H 3.489 0.004 1 338 37 41 PRO HD3 H 3.489 0.004 1 339 37 41 PRO CA C 60.998 0.010 1 340 37 41 PRO CB C 29.501 0.010 1 341 37 41 PRO CG C 25.251 0.010 1 342 37 41 PRO CD C 47.999 0.010 1 343 38 42 ASP H H 7.679 0.004 1 344 38 42 ASP HA H 2.856 0.004 1 345 38 42 ASP HB2 H 2.303 0.004 2 346 38 42 ASP HB3 H 1.893 0.004 2 347 38 42 ASP CA C 50.499 0.010 1 348 38 42 ASP CB C 35.750 0.010 1 349 38 42 ASP N N 115.973 0.010 1 350 39 43 GLU H H 6.943 0.004 1 351 39 43 GLU HA H 4.013 0.004 1 352 39 43 GLU HB2 H 1.862 0.004 2 353 39 43 GLU HB3 H 1.586 0.004 2 354 39 43 GLU HG2 H 2.045 0.004 2 355 39 43 GLU HG3 H 1.962 0.004 2 356 39 43 GLU CA C 51.749 0.010 1 357 39 43 GLU CB C 31.501 0.010 1 358 39 43 GLU CG C 33.750 0.010 1 359 39 43 GLU N N 114.763 0.010 1 360 40 44 PHE H H 8.566 0.004 1 361 40 44 PHE HA H 4.874 0.004 1 362 40 44 PHE HB2 H 3.010 0.004 2 363 40 44 PHE HB3 H 2.758 0.004 2 364 40 44 PHE CA C 53.748 0.010 1 365 40 44 PHE CB C 38.000 0.010 1 366 40 44 PHE N N 121.086 0.010 1 367 41 45 LEU H H 9.254 0.004 1 368 41 45 LEU HA H 4.849 0.004 1 369 41 45 LEU HB2 H 1.937 0.004 2 370 41 45 LEU HB3 H 1.043 0.004 2 371 41 45 LEU HG H 0.763 0.004 1 372 41 45 LEU HD1 H 0.805 0.004 2 373 41 45 LEU HD2 H 0.683 0.004 2 374 41 45 LEU CA C 51.249 0.010 1 375 41 45 LEU CB C 40.500 0.010 1 376 41 45 LEU CG C 24.251 0.010 1 377 41 45 LEU CD1 C 24.501 0.010 2 378 41 45 LEU CD2 C 21.252 0.010 2 379 41 45 LEU N N 122.999 0.010 1 380 42 46 GLN H H 9.120 0.004 1 381 42 46 GLN HA H 5.547 0.004 1 382 42 46 GLN HB2 H 1.574 0.004 2 383 42 46 GLN HB3 H 1.459 0.004 2 384 42 46 GLN HG2 H 2.097 0.004 2 385 42 46 GLN HG3 H 1.721 0.004 2 386 42 46 GLN CA C 50.499 0.010 1 387 42 46 GLN CB C 34.250 0.010 1 388 42 46 GLN CG C 35.500 0.010 1 389 42 46 GLN N N 120.579 0.010 1 390 43 47 ILE H H 8.512 0.004 1 391 43 47 ILE HA H 4.071 0.004 1 392 43 47 ILE HB H 2.113 0.004 1 393 43 47 ILE HG12 H 1.515 0.004 2 394 43 47 ILE HG13 H 0.987 0.004 2 395 43 47 ILE HG2 H 0.554 0.004 1 396 43 47 ILE HD1 H 0.044 0.004 1 397 43 47 ILE CA C 56.748 0.010 1 398 43 47 ILE CB C 33.001 0.010 1 399 43 47 ILE CG1 C 23.751 0.010 1 400 43 47 ILE CG2 C 15.002 0.010 1 401 43 47 ILE CD1 C 7.753 0.010 1 402 43 47 ILE N N 118.978 0.010 1 403 44 48 LYS H H 9.175 0.004 1 404 44 48 LYS HA H 4.386 0.004 1 405 44 48 LYS HB2 H 1.820 0.004 2 406 44 48 LYS HB3 H 1.513 0.004 2 407 44 48 LYS CA C 53.998 0.010 1 408 44 48 LYS CB C 31.501 0.010 1 409 44 48 LYS N N 131.586 0.010 1 410 45 49 SER H H 7.297 0.004 1 411 45 49 SER HA H 4.506 0.004 1 412 45 49 SER HB2 H 3.648 0.004 1 413 45 49 SER HB3 H 3.648 0.004 1 414 45 49 SER CA C 54.748 0.010 1 415 45 49 SER CB C 62.998 0.010 1 416 45 49 SER N N 109.728 0.010 1 417 46 50 LEU H H 8.500 0.004 1 418 46 50 LEU HA H 4.911 0.004 1 419 46 50 LEU HB2 H 1.583 0.004 2 420 46 50 LEU HB3 H 1.187 0.004 2 421 46 50 LEU HG H 1.385 0.004 1 422 46 50 LEU HD1 H 0.651 0.004 2 423 46 50 LEU HD2 H 0.579 0.004 2 424 46 50 LEU CA C 51.499 0.010 1 425 46 50 LEU CB C 42.000 0.010 1 426 46 50 LEU CG C 25.501 0.010 1 427 46 50 LEU CD1 C 23.501 0.010 2 428 46 50 LEU CD2 C 23.501 0.010 2 429 46 50 LEU N N 120.634 0.010 1 430 47 51 VAL H H 7.533 0.004 1 431 47 51 VAL HA H 3.862 0.004 1 432 47 51 VAL HB H 1.646 0.004 1 433 47 51 VAL HG1 H 0.883 0.004 2 434 47 51 VAL HG2 H 0.783 0.004 2 435 47 51 VAL CA C 59.748 0.010 1 436 47 51 VAL CB C 30.501 0.010 1 437 47 51 VAL CG1 C 18.502 0.010 2 438 47 51 VAL CG2 C 18.502 0.010 2 439 47 51 VAL N N 122.569 0.010 1 440 48 52 LEU H H 8.777 0.004 1 441 48 52 LEU HA H 3.819 0.004 1 442 48 52 LEU HB2 H 1.562 0.004 2 443 48 52 LEU HB3 H 1.435 0.004 2 444 48 52 LEU HG H 1.552 0.004 1 445 48 52 LEU HD1 H 0.827 0.004 2 446 48 52 LEU HD2 H 0.782 0.004 2 447 48 52 LEU CA C 55.498 0.010 1 448 48 52 LEU CB C 39.500 0.010 1 449 48 52 LEU CG C 24.501 0.010 1 450 48 52 LEU CD1 C 22.252 0.010 2 451 48 52 LEU CD2 C 21.752 0.010 2 452 48 52 LEU N N 130.688 0.010 1 453 49 53 ASP H H 8.443 0.004 1 454 49 53 ASP HA H 4.339 0.004 1 455 49 53 ASP HB2 H 2.794 0.004 2 456 49 53 ASP HB3 H 2.610 0.004 2 457 49 53 ASP CA C 51.999 0.010 1 458 49 53 ASP CB C 37.250 0.010 1 459 49 53 ASP N N 116.948 0.010 1 460 50 54 GLY H H 7.606 0.004 1 461 50 54 GLY HA2 H 4.452 0.004 2 462 50 54 GLY HA3 H 3.540 0.004 2 463 50 54 GLY CA C 42.500 0.010 1 464 50 54 GLY N N 105.746 0.010 1 465 51 55 PRO HA H 4.155 0.004 1 466 51 55 PRO HB2 H 2.573 0.004 2 467 51 55 PRO HB3 H 2.110 0.004 2 468 51 55 PRO HG2 H 2.477 0.004 2 469 51 55 PRO HG3 H 2.094 0.004 2 470 51 55 PRO HD2 H 3.725 0.004 2 471 51 55 PRO HD3 H 2.938 0.004 2 472 51 55 PRO CA C 63.497 0.010 1 473 51 55 PRO CB C 30.001 0.010 1 474 51 55 PRO CG C 26.251 0.010 1 475 51 55 PRO CD C 46.749 0.010 1 476 52 56 ALA H H 7.643 0.004 1 477 52 56 ALA HA H 4.107 0.004 1 478 52 56 ALA HB H 1.523 0.004 1 479 52 56 ALA CA C 52.999 0.010 1 480 52 56 ALA CB C 17.252 0.010 1 481 52 56 ALA N N 118.978 0.010 1 482 53 57 ALA H H 9.596 0.004 1 483 53 57 ALA HA H 4.019 0.004 1 484 53 57 ALA HB H 1.414 0.004 1 485 53 57 ALA CA C 52.499 0.010 1 486 53 57 ALA CB C 16.752 0.010 1 487 53 57 ALA N N 124.898 0.010 1 488 54 58 LEU H H 8.127 0.004 1 489 54 58 LEU HA H 3.945 0.004 1 490 54 58 LEU HB2 H 1.621 0.004 2 491 54 58 LEU HB3 H 1.380 0.004 2 492 54 58 LEU HG H 1.612 0.004 1 493 54 58 LEU HD1 H 0.770 0.004 2 494 54 58 LEU HD2 H 0.669 0.004 2 495 54 58 LEU CA C 54.998 0.010 1 496 54 58 LEU CB C 39.250 0.010 1 497 54 58 LEU CG C 24.751 0.010 1 498 54 58 LEU CD1 C 20.502 0.010 2 499 54 58 LEU CD2 C 22.752 0.010 2 500 54 58 LEU N N 117.963 0.010 1 501 55 59 ASP H H 7.634 0.004 1 502 55 59 ASP HA H 4.341 0.004 1 503 55 59 ASP HB2 H 2.694 0.004 2 504 55 59 ASP HB3 H 2.500 0.004 2 505 55 59 ASP CA C 54.248 0.010 1 506 55 59 ASP CB C 41.500 0.010 1 507 55 59 ASP N N 117.807 0.010 1 508 56 60 GLY H H 7.282 0.004 1 509 56 60 GLY HA2 H 3.818 0.004 1 510 56 60 GLY HA3 H 3.818 0.004 1 511 56 60 GLY CA C 44.499 0.010 1 512 56 60 GLY N N 102.624 0.010 1 513 57 61 LYS H H 7.711 0.004 1 514 57 61 LYS HA H 4.220 0.004 1 515 57 61 LYS HB2 H 1.525 0.004 2 516 57 61 LYS HB3 H 1.442 0.004 2 517 57 61 LYS CA C 55.248 0.010 1 518 57 61 LYS CB C 31.501 0.010 1 519 57 61 LYS N N 117.885 0.010 1 520 58 62 MET H H 8.557 0.004 1 521 58 62 MET HA H 3.798 0.004 1 522 58 62 MET HB2 H 1.703 0.004 2 523 58 62 MET HB3 H 1.515 0.004 2 524 58 62 MET HG2 H 1.999 0.004 1 525 58 62 MET HG3 H 1.999 0.004 1 526 58 62 MET HE H 1.026 0.004 1 527 58 62 MET CA C 53.498 0.010 1 528 58 62 MET CB C 33.750 0.010 1 529 58 62 MET CG C 28.751 0.010 1 530 58 62 MET CE C 13.752 0.010 1 531 58 62 MET N N 119.408 0.010 1 532 59 63 GLU H H 8.411 0.004 1 533 59 63 GLU CA C 52.123 0.010 1 534 59 63 GLU CB C 31.795 0.010 1 535 59 63 GLU N N 121.203 0.010 1 536 60 64 THR H H 8.462 0.004 1 537 60 64 THR HA H 3.505 0.004 1 538 60 64 THR HB H 3.972 0.004 1 539 60 64 THR HG2 H 1.080 0.004 1 540 60 64 THR CA C 61.498 0.010 1 541 60 64 THR CB C 66.247 0.010 1 542 60 64 THR CG2 C 20.252 0.010 1 543 60 64 THR N N 114.177 0.010 1 544 61 65 GLY H H 10.048 0.004 1 545 61 65 GLY HA2 H 4.563 0.004 2 546 61 65 GLY HA3 H 3.268 0.004 2 547 61 65 GLY CA C 42.250 0.010 1 548 61 65 GLY N N 113.943 0.010 1 549 62 66 ASP H H 7.879 0.004 1 550 62 66 ASP HA H 4.386 0.004 1 551 62 66 ASP HB2 H 2.446 0.004 2 552 62 66 ASP HB3 H 2.129 0.004 2 553 62 66 ASP CA C 53.998 0.010 1 554 62 66 ASP CB C 38.500 0.010 1 555 62 66 ASP N N 124.716 0.010 1 556 63 67 VAL H H 8.621 0.004 1 557 63 67 VAL HA H 4.368 0.004 1 558 63 67 VAL HB H 1.573 0.004 1 559 63 67 VAL HG1 H 0.488 0.004 2 560 63 67 VAL HG2 H 0.157 0.004 2 561 63 67 VAL CA C 58.498 0.010 1 562 63 67 VAL CB C 31.751 0.010 1 563 63 67 VAL CG1 C 20.002 0.010 2 564 63 67 VAL CG2 C 17.752 0.010 2 565 63 67 VAL N N 122.179 0.010 1 566 64 68 ILE H H 8.415 0.004 1 567 64 68 ILE HA H 3.728 0.004 1 568 64 68 ILE HB H 1.577 0.004 1 569 64 68 ILE HG12 H 1.399 0.004 2 570 64 68 ILE HG13 H 0.371 0.004 2 571 64 68 ILE HG2 H 0.512 0.004 1 572 64 68 ILE HD1 H 0.711 0.004 1 573 64 68 ILE CA C 60.498 0.010 1 574 64 68 ILE CB C 35.000 0.010 1 575 64 68 ILE CG1 C 25.001 0.010 1 576 64 68 ILE CG2 C 16.002 0.010 1 577 64 68 ILE CD1 C 11.503 0.010 1 578 64 68 ILE N N 125.692 0.010 1 579 65 69 VAL H H 8.731 0.004 1 580 65 69 VAL HA H 3.774 0.004 1 581 65 69 VAL HB H 1.634 0.004 1 582 65 69 VAL HG1 H 0.854 0.004 2 583 65 69 VAL HG2 H 0.594 0.004 2 584 65 69 VAL CA C 61.748 0.010 1 585 65 69 VAL CB C 30.751 0.010 1 586 65 69 VAL CG1 C 19.252 0.010 2 587 65 69 VAL CG2 C 21.002 0.010 2 588 65 69 VAL N N 127.878 0.010 1 589 66 70 SER H H 7.752 0.004 1 590 66 70 SER HA H 5.201 0.004 1 591 66 70 SER HB2 H 3.444 0.004 1 592 66 70 SER HB3 H 3.444 0.004 1 593 66 70 SER CA C 54.748 0.010 1 594 66 70 SER CB C 63.747 0.010 1 595 66 70 SER N N 109.962 0.010 1 596 67 71 VAL H H 8.242 0.004 1 597 67 71 VAL HA H 4.357 0.004 1 598 67 71 VAL HB H 1.612 0.004 1 599 67 71 VAL HG1 H 0.595 0.004 1 600 67 71 VAL HG2 H 0.595 0.004 1 601 67 71 VAL CA C 58.748 0.010 1 602 67 71 VAL CB C 32.001 0.010 1 603 67 71 VAL CG1 C 19.002 0.010 1 604 67 71 VAL N N 120.813 0.010 1 605 68 72 ASN H H 9.879 0.004 1 606 68 72 ASN HA H 4.485 0.004 1 607 68 72 ASN HB2 H 3.042 0.004 1 608 68 72 ASN HB3 H 2.828 0.004 1 609 68 72 ASN CA C 52.249 0.010 1 610 68 72 ASN CB C 34.000 0.010 1 611 68 72 ASN N N 127.487 0.010 1 612 69 73 ASP HA H 4.189 0.004 1 613 69 73 ASP HB2 H 2.753 0.004 1 614 69 73 ASP HB3 H 2.753 0.004 1 615 69 73 ASP CA C 53.498 0.010 1 616 69 73 ASP CB C 38.000 0.010 1 617 70 74 THR H H 7.876 0.004 1 618 70 74 THR HA H 4.236 0.004 1 619 70 74 THR HB H 3.967 0.004 1 620 70 74 THR HG2 H 0.989 0.004 1 621 70 74 THR CA C 59.998 0.010 1 622 70 74 THR CB C 67.997 0.010 1 623 70 74 THR CG2 C 18.752 0.010 1 624 70 74 THR N N 117.456 0.010 1 625 71 75 CYS H H 8.973 0.004 1 626 71 75 CYS HA H 4.432 0.004 1 627 71 75 CYS HB2 H 3.120 0.004 2 628 71 75 CYS HB3 H 2.696 0.004 2 629 71 75 CYS CA C 57.498 0.010 1 630 71 75 CYS CB C 25.001 0.010 1 631 71 75 CYS N N 128.463 0.010 1 632 72 76 VAL H H 8.672 0.004 1 633 72 76 VAL HA H 3.828 0.004 1 634 72 76 VAL HB H 1.898 0.004 1 635 72 76 VAL HG1 H 0.299 0.004 2 636 72 76 VAL HG2 H 0.153 0.004 2 637 72 76 VAL CA C 57.498 0.010 1 638 72 76 VAL CB C 28.501 0.010 1 639 72 76 VAL CG1 C 17.252 0.010 2 640 72 76 VAL CG2 C 18.002 0.010 2 641 72 76 VAL N N 121.047 0.010 1 642 73 77 LEU H H 7.664 0.004 1 643 73 77 LEU HA H 4.496 0.004 1 644 73 77 LEU HB2 H 1.889 0.004 2 645 73 77 LEU HB3 H 1.693 0.004 2 646 73 77 LEU HG H 1.828 0.004 1 647 73 77 LEU HD1 H 0.982 0.004 2 648 73 77 LEU HD2 H 0.602 0.004 2 649 73 77 LEU CA C 54.248 0.010 1 650 73 77 LEU CB C 38.500 0.010 1 651 73 77 LEU CG C 23.751 0.010 1 652 73 77 LEU CD1 C 21.002 0.010 2 653 73 77 LEU CD2 C 22.752 0.010 2 654 73 77 LEU N N 123.272 0.010 1 655 74 78 GLY H H 9.755 0.004 1 656 74 78 GLY HA2 H 4.580 0.004 2 657 74 78 GLY HA3 H 3.784 0.004 2 658 74 78 GLY CA C 43.499 0.010 1 659 74 78 GLY N N 116.597 0.010 1 660 75 79 HIS H H 8.314 0.004 1 661 75 79 HIS CA C 54.108 0.010 1 662 75 79 HIS CB C 29.085 0.010 1 663 75 79 HIS N N 122.290 0.010 1 664 76 80 THR H H 8.477 0.004 1 665 76 80 THR HA H 4.402 0.004 1 666 76 80 THR HB H 4.708 0.004 1 667 76 80 THR HG2 H 0.975 0.004 1 668 76 80 THR CA C 57.748 0.010 1 669 76 80 THR CB C 68.747 0.010 1 670 76 80 THR CG2 C 19.002 0.010 1 671 76 80 THR N N 109.415 0.010 1 672 77 81 HIS H H 9.051 0.004 1 673 77 81 HIS HA H 3.899 0.004 1 674 77 81 HIS HB2 H 3.410 0.004 2 675 77 81 HIS HB3 H 2.967 0.004 2 676 77 81 HIS CA C 58.498 0.010 1 677 77 81 HIS CB C 27.501 0.010 1 678 77 81 HIS N N 121.789 0.010 1 679 78 82 ALA H H 8.434 0.004 1 680 78 82 ALA HA H 3.908 0.004 1 681 78 82 ALA HB H 1.306 0.004 1 682 78 82 ALA CA C 52.749 0.010 1 683 78 82 ALA CB C 16.002 0.010 1 684 78 82 ALA N N 118.588 0.010 1 685 79 83 GLN H H 7.647 0.004 1 686 79 83 GLN HA H 3.840 0.004 1 687 79 83 GLN HB2 H 2.329 0.004 2 688 79 83 GLN HB3 H 1.812 0.004 2 689 79 83 GLN HG2 H 2.289 0.004 2 690 79 83 GLN HG3 H 2.194 0.004 2 691 79 83 GLN CA C 56.498 0.010 1 692 79 83 GLN CB C 27.251 0.010 1 693 79 83 GLN CG C 32.501 0.010 1 694 79 83 GLN N N 115.856 0.010 1 695 80 84 VAL H H 8.059 0.004 1 696 80 84 VAL HA H 3.738 0.004 1 697 80 84 VAL HB H 1.808 0.004 1 698 80 84 VAL HG1 H 0.748 0.004 2 699 80 84 VAL HG2 H 0.726 0.004 2 700 80 84 VAL CA C 63.247 0.010 1 701 80 84 VAL CB C 29.251 0.010 1 702 80 84 VAL CG1 C 22.002 0.010 2 703 80 84 VAL CG2 C 19.252 0.010 2 704 80 84 VAL N N 120.461 0.010 1 705 81 85 VAL H H 8.456 0.004 1 706 81 85 VAL HA H 3.617 0.004 1 707 81 85 VAL HB H 1.981 0.004 1 708 81 85 VAL HG1 H 0.818 0.004 2 709 81 85 VAL HG2 H 0.815 0.004 2 710 81 85 VAL CA C 64.747 0.010 1 711 81 85 VAL CB C 29.001 0.010 1 712 81 85 VAL CG1 C 20.752 0.010 2 713 81 85 VAL CG2 C 19.002 0.010 2 714 81 85 VAL N N 121.593 0.010 1 715 82 86 LYS H H 7.268 0.004 1 716 82 86 LYS HA H 3.985 0.004 1 717 82 86 LYS HB2 H 1.830 0.004 2 718 82 86 LYS HB3 H 1.782 0.004 2 719 82 86 LYS HG2 H 1.448 0.004 2 720 82 86 LYS HG3 H 1.345 0.004 2 721 82 86 LYS HD2 H 1.589 0.004 2 722 82 86 LYS HD3 H 1.557 0.004 2 723 82 86 LYS HE2 H 2.871 0.004 1 724 82 86 LYS HE3 H 2.871 0.004 1 725 82 86 LYS CA C 56.998 0.010 1 726 82 86 LYS CB C 29.751 0.010 1 727 82 86 LYS CG C 22.752 0.010 1 728 82 86 LYS CD C 26.751 0.010 1 729 82 86 LYS CE C 39.500 0.010 1 730 82 86 LYS N N 119.056 0.010 1 731 83 87 ILE H H 7.190 0.004 1 732 83 87 ILE HA H 3.588 0.004 1 733 83 87 ILE HB H 1.680 0.004 1 734 83 87 ILE HG12 H 1.762 0.004 2 735 83 87 ILE HG13 H 0.920 0.004 2 736 83 87 ILE HG2 H 0.612 0.004 1 737 83 87 ILE HD1 H 0.705 0.004 1 738 83 87 ILE CA C 63.247 0.010 1 739 83 87 ILE CB C 35.500 0.010 1 740 83 87 ILE CG1 C 25.501 0.010 1 741 83 87 ILE CG2 C 14.252 0.010 1 742 83 87 ILE CD1 C 11.253 0.010 1 743 83 87 ILE N N 119.837 0.010 1 744 84 88 PHE H H 7.826 0.004 1 745 84 88 PHE HA H 4.549 0.004 1 746 84 88 PHE HB2 H 3.451 0.004 2 747 84 88 PHE HB3 H 3.265 0.004 2 748 84 88 PHE CA C 57.248 0.010 1 749 84 88 PHE CB C 35.250 0.010 1 750 84 88 PHE N N 117.924 0.010 1 751 85 89 GLN H H 8.886 0.004 1 752 85 89 GLN HA H 3.940 0.004 1 753 85 89 GLN HB2 H 2.163 0.004 2 754 85 89 GLN HB3 H 2.032 0.004 2 755 85 89 GLN HG2 H 2.522 0.004 2 756 85 89 GLN HG3 H 2.375 0.004 2 757 85 89 GLN CA C 56.248 0.010 1 758 85 89 GLN CB C 26.501 0.010 1 759 85 89 GLN CG C 31.751 0.010 1 760 85 89 GLN N N 118.978 0.010 1 761 86 90 SER H H 7.551 0.004 1 762 86 90 SER HA H 4.194 0.004 1 763 86 90 SER HB2 H 3.955 0.004 1 764 86 90 SER HB3 H 3.955 0.004 1 765 86 90 SER CA C 57.498 0.010 1 766 86 90 SER CB C 61.498 0.010 1 767 86 90 SER N N 112.694 0.010 1 768 87 91 ILE H H 7.131 0.004 1 769 87 91 ILE HA H 4.247 0.004 1 770 87 91 ILE HB H 1.993 0.004 1 771 87 91 ILE HG12 H 1.883 0.004 2 772 87 91 ILE HG13 H 1.498 0.004 2 773 87 91 ILE HG2 H 1.067 0.004 1 774 87 91 ILE HD1 H 0.904 0.004 1 775 87 91 ILE CA C 56.498 0.010 1 776 87 91 ILE CB C 36.500 0.010 1 777 87 91 ILE CG1 C 25.001 0.010 1 778 87 91 ILE CG2 C 14.502 0.010 1 779 87 91 ILE CD1 C 10.503 0.010 1 780 87 91 ILE N N 125.614 0.010 1 781 88 92 PRO HA H 4.355 0.004 1 782 88 92 PRO HB2 H 2.210 0.004 2 783 88 92 PRO HB3 H 1.699 0.004 2 784 88 92 PRO HG2 H 1.919 0.004 1 785 88 92 PRO HG3 H 1.919 0.004 1 786 88 92 PRO HD2 H 4.008 0.004 2 787 88 92 PRO HD3 H 3.528 0.004 2 788 88 92 PRO CA C 60.498 0.010 1 789 88 92 PRO CB C 30.001 0.010 1 790 88 92 PRO CG C 25.251 0.010 1 791 88 92 PRO CD C 48.749 0.010 1 792 89 93 ILE H H 8.248 0.004 1 793 89 93 ILE HA H 2.996 0.004 1 794 89 93 ILE HB H 1.489 0.004 1 795 89 93 ILE HG12 H 0.802 0.004 2 796 89 93 ILE HG13 H 0.766 0.004 2 797 89 93 ILE HG2 H 0.641 0.004 1 798 89 93 ILE CA C 62.248 0.010 1 799 89 93 ILE CB C 35.000 0.010 1 800 89 93 ILE CG1 C 26.251 0.010 1 801 89 93 ILE CG2 C 14.752 0.010 1 802 89 93 ILE N N 120.813 0.010 1 803 90 94 GLY H H 8.534 0.004 1 804 90 94 GLY HA2 H 4.322 0.004 2 805 90 94 GLY HA3 H 3.013 0.004 2 806 90 94 GLY CA C 42.500 0.010 1 807 90 94 GLY N N 116.051 0.010 1 808 91 95 ALA H H 7.917 0.004 1 809 91 95 ALA HA H 4.580 0.004 1 810 91 95 ALA HB H 1.505 0.004 1 811 91 95 ALA CA C 48.999 0.010 1 812 91 95 ALA CB C 17.752 0.010 1 813 91 95 ALA N N 124.248 0.010 1 814 92 96 SER H H 8.237 0.004 1 815 92 96 SER HA H 5.694 0.004 1 816 92 96 SER HB2 H 3.546 0.004 2 817 92 96 SER HB3 H 3.443 0.004 2 818 92 96 SER CA C 54.998 0.010 1 819 92 96 SER CB C 63.747 0.010 1 820 92 96 SER N N 112.226 0.010 1 821 93 97 VAL H H 8.946 0.004 1 822 93 97 VAL HA H 4.749 0.004 1 823 93 97 VAL HB H 1.732 0.004 1 824 93 97 VAL HG1 H 0.758 0.004 2 825 93 97 VAL HG2 H 0.371 0.004 2 826 93 97 VAL CA C 56.498 0.010 1 827 93 97 VAL CB C 33.500 0.010 1 828 93 97 VAL CG1 C 20.502 0.010 2 829 93 97 VAL CG2 C 18.502 0.010 2 830 93 97 VAL N N 120.383 0.010 1 831 94 98 ASP H H 8.292 0.004 1 832 94 98 ASP HA H 5.113 0.004 1 833 94 98 ASP HB2 H 2.573 0.004 2 834 94 98 ASP HB3 H 2.528 0.004 2 835 94 98 ASP CA C 51.249 0.010 1 836 94 98 ASP CB C 40.500 0.010 1 837 94 98 ASP N N 125.497 0.010 1 838 95 99 LEU H H 9.033 0.004 1 839 95 99 LEU HA H 5.010 0.004 1 840 95 99 LEU HB2 H 1.403 0.004 2 841 95 99 LEU HB3 H 0.968 0.004 2 842 95 99 LEU HG H 0.382 0.004 1 843 95 99 LEU HD1 H 1.351 0.004 2 844 95 99 LEU HD2 H 0.791 0.004 2 845 95 99 LEU CA C 51.249 0.010 1 846 95 99 LEU CB C 43.499 0.010 1 847 95 99 LEU CG C 24.251 0.010 1 848 95 99 LEU CD1 C 24.251 0.010 2 849 95 99 LEU CD2 C 22.752 0.010 2 850 95 99 LEU N N 123.935 0.010 1 851 96 100 GLU H H 7.981 0.004 1 852 96 100 GLU HA H 4.833 0.004 1 853 96 100 GLU HB2 H 1.981 0.004 2 854 96 100 GLU HB3 H 1.703 0.004 2 855 96 100 GLU HG2 H 1.795 0.004 1 856 96 100 GLU HG3 H 1.795 0.004 1 857 96 100 GLU CA C 52.749 0.010 1 858 96 100 GLU CB C 30.501 0.010 1 859 96 100 GLU CG C 34.000 0.010 1 860 96 100 GLU N N 122.374 0.010 1 861 97 101 LEU H H 9.325 0.004 1 862 97 101 LEU HA H 5.489 0.004 1 863 97 101 LEU HB2 H 1.453 0.004 2 864 97 101 LEU HB3 H 1.212 0.004 2 865 97 101 LEU HG H 1.333 0.004 1 866 97 101 LEU HD1 H 0.542 0.004 2 867 97 101 LEU HD2 H 0.545 0.004 2 868 97 101 LEU CA C 50.249 0.010 1 869 97 101 LEU CB C 42.500 0.010 1 870 97 101 LEU CG C 25.001 0.010 1 871 97 101 LEU CD1 C 22.752 0.010 1 872 97 101 LEU N N 126.238 0.010 1 873 98 102 CYS H H 8.969 0.004 1 874 98 102 CYS HA H 4.793 0.004 1 875 98 102 CYS HB2 H 1.890 0.004 1 876 98 102 CYS HB3 H 1.890 0.004 1 877 98 102 CYS CA C 54.498 0.010 1 878 98 102 CYS CB C 26.501 0.010 1 879 98 102 CYS N N 118.471 0.010 1 880 99 103 ARG H H 9.762 0.004 1 881 99 103 ARG CA C 54.290 0.010 1 882 99 103 ARG CB C 30.892 0.010 1 883 99 103 ARG N N 136.660 0.010 1 884 100 104 GLY H H 8.640 0.004 1 885 100 104 GLY HA2 H 4.236 0.004 2 886 100 104 GLY HA3 H 3.395 0.004 2 887 100 104 GLY CA C 43.000 0.010 1 888 100 104 GLY N N 115.621 0.010 1 889 101 105 TYR H H 9.504 0.004 1 890 101 105 TYR HA H 4.651 0.004 1 891 101 105 TYR HB2 H 2.965 0.004 2 892 101 105 TYR HB3 H 2.789 0.004 2 893 101 105 TYR CA C 54.248 0.010 1 894 101 105 TYR CB C 34.750 0.010 1 895 101 105 TYR N N 123.974 0.010 1 896 102 106 PRO HA H 4.469 0.004 1 897 102 106 PRO HB2 H 2.165 0.004 2 898 102 106 PRO HB3 H 1.926 0.004 2 899 102 106 PRO CA C 59.748 0.010 1 900 102 106 PRO CB C 29.751 0.010 1 901 103 107 LEU H H 8.557 0.004 1 902 103 107 LEU HA H 4.352 0.004 1 903 103 107 LEU HB2 H 1.490 0.004 2 904 103 107 LEU HB3 H 1.423 0.004 2 905 103 107 LEU HG H 1.552 0.004 1 906 103 107 LEU HD1 H 0.864 0.004 2 907 103 107 LEU HD2 H 0.768 0.004 2 908 103 107 LEU CA C 51.201 0.010 1 909 103 107 LEU CB C 39.750 0.010 1 910 103 107 LEU CG C 25.251 0.010 1 911 103 107 LEU CD1 C 23.251 0.010 2 912 103 107 LEU CD2 C 22.002 0.010 2 913 103 107 LEU N N 122.452 0.010 1 914 104 108 PRO HA H 4.416 0.004 1 915 104 108 PRO HB2 H 2.318 0.004 2 916 104 108 PRO HB3 H 1.842 0.004 2 917 104 108 PRO HG2 H 1.978 0.004 1 918 104 108 PRO HG3 H 1.978 0.004 1 919 104 108 PRO HD2 H 3.799 0.004 2 920 104 108 PRO HD3 H 3.570 0.004 2 921 104 108 PRO CA C 60.498 0.010 1 922 104 108 PRO CB C 30.251 0.010 1 923 104 108 PRO CG C 25.001 0.010 1 924 104 108 PRO CD C 48.499 0.010 1 925 105 109 PHE H H 8.338 0.004 1 926 105 109 PHE HA H 4.258 0.004 1 927 105 109 PHE HB2 H 3.239 0.004 2 928 105 109 PHE HB3 H 2.810 0.004 2 929 105 109 PHE CA C 56.498 0.010 1 930 105 109 PHE CB C 37.000 0.010 1 931 105 109 PHE N N 121.437 0.010 1 932 106 110 ASP H H 7.016 0.004 1 933 106 110 ASP HA H 3.035 0.004 1 934 106 110 ASP HB2 H 2.496 0.004 2 935 106 110 ASP HB3 H 2.067 0.004 2 936 106 110 ASP CA C 55.498 0.010 1 937 106 110 ASP CB C 39.500 0.010 1 938 106 110 ASP N N 124.599 0.010 1 939 107 111 PRO HA H 4.049 0.004 1 940 107 111 PRO HB2 H 2.214 0.004 2 941 107 111 PRO HB3 H 1.878 0.004 2 942 107 111 PRO HG2 H 1.894 0.004 2 943 107 111 PRO HG3 H 1.831 0.004 2 944 107 111 PRO HD2 H 3.735 0.004 2 945 107 111 PRO HD3 H 3.405 0.004 2 946 107 111 PRO CA C 61.248 0.010 1 947 107 111 PRO CB C 30.001 0.010 1 948 107 111 PRO CG C 24.501 0.010 1 949 107 111 PRO CD C 48.499 0.010 1 950 108 112 ASP H H 8.041 0.004 1 951 108 112 ASP HA H 4.514 0.004 1 952 108 112 ASP HB2 H 2.604 0.004 2 953 108 112 ASP HB3 H 2.406 0.004 2 954 108 112 ASP CA C 51.999 0.010 1 955 108 112 ASP CB C 38.750 0.010 1 956 108 112 ASP N N 117.690 0.010 1 957 109 113 ASP H H 7.519 0.004 1 958 109 113 ASP HA H 4.751 0.004 1 959 109 113 ASP HB2 H 2.727 0.004 2 960 109 113 ASP HB3 H 2.397 0.004 2 961 109 113 ASP CA C 49.249 0.010 1 962 109 113 ASP CB C 39.250 0.010 1 963 109 113 ASP N N 120.930 0.010 1 964 110 114 PRO HA H 4.334 0.004 1 965 110 114 PRO HB2 H 2.186 0.004 2 966 110 114 PRO HB3 H 1.876 0.004 2 967 110 114 PRO HD2 H 3.744 0.004 1 968 110 114 PRO HD3 H 3.744 0.004 1 969 110 114 PRO CA C 61.498 0.010 1 970 110 114 PRO CB C 30.001 0.010 1 971 110 114 PRO CD C 48.249 0.010 1 972 111 115 ASN H H 8.443 0.004 1 973 111 115 ASN HA H 4.595 0.004 1 974 111 115 ASN HB2 H 2.731 0.004 1 975 111 115 ASN HB3 H 2.731 0.004 1 976 111 115 ASN CA C 51.499 0.010 1 977 111 115 ASN CB C 36.250 0.010 1 978 111 115 ASN N N 117.183 0.010 1 979 112 116 THR H H 7.849 0.004 1 980 112 116 THR HA H 4.277 0.004 1 981 112 116 THR HB H 4.098 0.004 1 982 112 116 THR HG2 H 1.077 0.004 1 983 112 116 THR CA C 59.498 0.010 1 984 112 116 THR CB C 67.247 0.010 1 985 112 116 THR CG2 C 19.252 0.010 1 986 112 116 THR N N 113.006 0.010 1 987 113 117 SER HA H 4.396 0.004 1 988 113 117 SER HB2 H 3.772 0.004 1 989 113 117 SER HB3 H 3.772 0.004 1 990 113 117 SER CA C 56.248 0.010 1 991 113 117 SER CB C 61.498 0.010 1 992 114 118 LEU H H 8.068 0.004 1 993 114 118 LEU HA H 4.234 0.004 1 994 114 118 LEU HB2 H 1.458 0.004 1 995 114 118 LEU HB3 H 1.458 0.004 1 996 114 118 LEU CA C 52.999 0.010 1 997 114 118 LEU CB C 40.000 0.010 1 998 114 118 LEU N N 123.857 0.010 1 999 115 119 VAL H H 8.021 0.004 1 1000 115 119 VAL HA H 4.055 0.004 1 1001 115 119 VAL HB H 1.968 0.004 1 1002 115 119 VAL HG1 H 0.818 0.004 1 1003 115 119 VAL HG2 H 0.818 0.004 1 1004 115 119 VAL CA C 59.998 0.010 1 1005 115 119 VAL CB C 30.501 0.010 1 1006 115 119 VAL CG1 C 18.502 0.010 1 1007 115 119 VAL N N 121.171 0.010 1 1008 116 120 THR HA H 4.235 0.004 1 1009 116 120 THR HB H 4.222 0.004 1 1010 116 120 THR HG2 H 1.085 0.004 1 1011 116 120 THR CA C 59.998 0.010 1 1012 116 120 THR CB C 67.247 0.010 1 1013 116 120 THR CG2 C 19.502 0.010 1 1014 117 121 SER HA H 4.389 0.004 1 1015 117 121 SER HB2 H 3.736 0.004 1 1016 117 121 SER HB3 H 3.736 0.004 1 1017 117 121 SER CA C 55.998 0.010 1 1018 117 121 SER CB C 61.498 0.010 1 1019 118 122 VAL H H 8.021 0.004 1 1020 118 122 VAL HA H 4.015 0.004 1 1021 118 122 VAL HB H 1.955 0.004 1 1022 118 122 VAL HG1 H 0.810 0.004 1 1023 118 122 VAL HG2 H 0.810 0.004 1 1024 118 122 VAL CA C 59.748 0.010 1 1025 118 122 VAL CB C 30.501 0.010 1 1026 118 122 VAL CG1 C 18.252 0.010 1 1027 118 122 VAL N N 121.769 0.010 1 1028 119 123 ALA H H 8.210 0.004 1 1029 119 123 ALA HA H 4.228 0.004 1 1030 119 123 ALA HB H 1.283 0.004 1 1031 119 123 ALA CA C 49.999 0.010 1 1032 119 123 ALA CB C 17.002 0.010 1 1033 119 123 ALA N N 127.682 0.010 1 1034 120 124 ILE H H 8.050 0.004 1 1035 120 124 ILE HA H 3.997 0.004 1 1036 120 124 ILE HB H 1.717 0.004 1 1037 120 124 ILE HG12 H 1.358 0.004 2 1038 120 124 ILE HG13 H 1.063 0.004 2 1039 120 124 ILE HG2 H 0.773 0.004 1 1040 120 124 ILE HD1 H 0.730 0.004 1 1041 120 124 ILE CA C 58.748 0.010 1 1042 120 124 ILE CB C 36.250 0.010 1 1043 120 124 ILE CG1 C 25.001 0.010 1 1044 120 124 ILE CG2 C 15.252 0.010 1 1045 120 124 ILE CD1 C 10.253 0.010 1 1046 120 124 ILE N N 120.813 0.010 1 1047 121 125 LEU H H 8.201 0.004 1 1048 121 125 LEU HA H 4.266 0.004 1 1049 121 125 LEU HB2 H 1.501 0.004 2 1050 121 125 LEU HB3 H 1.450 0.004 2 1051 121 125 LEU HG H 1.455 0.004 1 1052 121 125 LEU HD1 H 0.785 0.004 2 1053 121 125 LEU HD2 H 0.724 0.004 2 1054 121 125 LEU CA C 52.499 0.010 1 1055 121 125 LEU CB C 40.250 0.010 1 1056 121 125 LEU CG C 24.501 0.010 1 1057 121 125 LEU CD1 C 22.252 0.010 2 1058 121 125 LEU CD2 C 21.002 0.010 2 1059 121 125 LEU N N 126.472 0.010 1 1060 122 126 ASP H H 8.187 0.004 1 1061 122 126 ASP HA H 4.445 0.004 1 1062 122 126 ASP HB2 H 2.543 0.004 2 1063 122 126 ASP HB3 H 2.465 0.004 2 1064 122 126 ASP CA C 51.999 0.010 1 1065 122 126 ASP CB C 38.750 0.010 1 1066 122 126 ASP N N 121.281 0.010 1 1067 123 127 LYS H H 7.967 0.004 1 1068 123 127 LYS HA H 4.213 0.004 1 1069 123 127 LYS HB2 H 1.691 0.004 2 1070 123 127 LYS HB3 H 1.606 0.004 2 1071 123 127 LYS HG2 H 1.291 0.004 1 1072 123 127 LYS HG3 H 1.291 0.004 1 1073 123 127 LYS HD2 H 1.568 0.004 1 1074 123 127 LYS HD3 H 1.568 0.004 1 1075 123 127 LYS HE2 H 2.882 0.004 1 1076 123 127 LYS HE3 H 2.882 0.004 1 1077 123 127 LYS CA C 53.498 0.010 1 1078 123 127 LYS CB C 31.251 0.010 1 1079 123 127 LYS CG C 22.002 0.010 1 1080 123 127 LYS CD C 26.751 0.010 1 1081 123 127 LYS CE C 39.750 0.010 1 1082 123 127 LYS N N 120.774 0.010 1 1083 124 128 GLU H H 8.370 0.004 1 1084 124 128 GLU HA H 4.417 0.004 1 1085 124 128 GLU HB2 H 1.958 0.004 2 1086 124 128 GLU HB3 H 1.792 0.004 2 1087 124 128 GLU HG2 H 2.202 0.004 1 1088 124 128 GLU HG3 H 2.202 0.004 1 1089 124 128 GLU CA C 51.999 0.010 1 1090 124 128 GLU CB C 27.251 0.010 1 1091 124 128 GLU CG C 33.750 0.010 1 1092 124 128 GLU N N 124.482 0.010 1 stop_ save_