data_26687 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shifts of calcium saturated CaM34 (CaM D93A, D129A) with the iNOS CaM-binding domain peptide ; _BMRB_accession_number 26687 _BMRB_flat_file_name bmr26687.str _Entry_type original _Submission_date 2015-10-07 _Accession_date 2015-10-07 _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 Piazza Michael . . 2 Dieckmann Thorsten . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 740 "13C chemical shifts" 419 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-08 update BMRB 'update entry citation' 2016-02-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26681 'CaM1234 (apo form)' 26682 'CaM12 (apo form)' 26683 'CaM34 (apo form)' 26685 'CaM12 (complex with Ca)' 26686 'CaM34 (complex with Ca)' stop_ _Original_release_date 2016-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of calmodulin constructs with EF hand mutations ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26743203 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Piazza Michael . . 2 Guillemette Guy . . 3 Dieckmann Thorsten . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 193 _Page_last 198 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CaM34-iNOS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaM34 $CaM34 iNOS $iNOS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaM34 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaM34 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFAKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREAAIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ALA 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ALA 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_iNOS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common iNOS _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 17 _Mol_residue_sequence ; LKVLVKAVLFACMLMRK ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 LYS 3 VAL 4 LEU 5 VAL 6 LYS 7 ALA 8 VAL 9 LEU 10 PHE 11 ALA 12 CYS 13 MET 14 LEU 15 MET 16 ARG 17 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaM34 Human 9606 Eukaryota Metazoa Homo sapiens $iNOS 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 $CaM34 'recombinant technology' . . . . pET28a $iNOS 'obtained from a vendor' . . . . . 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 $CaM34 1 mM '[U-99% 13C; U-99% 15N]' 'potassium chloride' 100 mM 'natural abundance' $iNOS 1 mM 'natural abundance' 'sodium azide' 0.2 mM 'natural abundance' 'calcium chloride' 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CaM34 _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 2 2 ASP H H 8.499 0.020 1 2 2 2 ASP HA H 4.576 0.020 1 3 2 2 ASP HB2 H 2.507 0.020 1 4 2 2 ASP HB3 H 2.507 0.020 2 5 2 2 ASP CA C 51.929 0.3 1 6 2 2 ASP CB C 38.505 0.3 1 7 2 2 ASP N N 120.330 0.3 1 8 3 3 GLN H H 8.160 0.020 1 9 3 3 GLN HA H 4.198 0.020 1 10 3 3 GLN HB2 H 1.889 0.020 1 11 3 3 GLN HB3 H 1.778 0.020 2 12 3 3 GLN HG2 H 2.165 0.020 1 13 3 3 GLN HG3 H 2.165 0.020 1 14 3 3 GLN CA C 52.768 0.3 1 15 3 3 GLN CB C 26.518 0.3 1 16 3 3 GLN CG C 30.850 0.3 1 17 3 3 GLN N N 119.720 0.3 1 18 4 4 LEU H H 7.500 0.020 1 19 4 4 LEU HA H 4.448 0.020 1 20 4 4 LEU HB2 H 1.528 0.020 2 21 4 4 LEU HB3 H 1.353 0.020 2 22 4 4 LEU HG H 1.436 0.020 1 23 4 4 LEU HD1 H 0.733 0.020 1 24 4 4 LEU HD2 H 0.680 0.020 1 25 4 4 LEU CA C 51.584 0.3 1 26 4 4 LEU CB C 40.830 0.3 1 27 4 4 LEU CG C 23.770 0.3 1 28 4 4 LEU CD1 C 20.686 0.3 1 29 4 4 LEU N N 120.693 0.3 1 30 5 5 THR H H 8.559 0.020 1 31 5 5 THR HA H 4.277 0.020 1 32 5 5 THR HB H 4.618 0.020 1 33 5 5 THR HG2 H 1.161 0.020 1 34 5 5 THR CA C 57.873 0.3 1 35 5 5 THR CB C 68.444 0.3 1 36 5 5 THR CG2 C 18.858 0.3 1 37 5 5 THR N N 112.728 0.3 1 38 6 6 GLU H H 8.854 0.020 1 39 6 6 GLU HA H 3.847 0.020 1 40 6 6 GLU HB2 H 1.876 0.020 1 41 6 6 GLU HB3 H 1.876 0.020 1 42 6 6 GLU HG2 H 2.165 0.020 1 43 6 6 GLU HG3 H 2.165 0.020 1 44 6 6 GLU CA C 57.481 0.3 1 45 6 6 GLU CB C 26.512 0.3 1 46 6 6 GLU CG C 33.586 0.3 1 47 6 6 GLU N N 120.254 0.3 1 48 7 7 GLU H H 8.512 0.020 1 49 7 7 GLU HA H 3.883 0.020 1 50 7 7 GLU HB2 H 1.878 0.020 1 51 7 7 GLU HB3 H 1.878 0.020 1 52 7 7 GLU HG2 H 2.166 0.020 1 53 7 7 GLU HG3 H 2.166 0.020 1 54 7 7 GLU CA C 57.176 0.3 1 55 7 7 GLU CB C 26.054 0.3 1 56 7 7 GLU CG C 33.593 0.3 1 57 7 7 GLU N N 119.498 0.3 1 58 8 8 GLN H H 7.540 0.020 1 59 8 8 GLN HA H 3.870 0.020 1 60 8 8 GLN HB2 H 1.778 0.020 2 61 8 8 GLN HB3 H 1.887 0.020 2 62 8 8 GLN HG2 H 2.165 0.020 1 63 8 8 GLN HG3 H 2.165 0.020 1 64 8 8 GLN CA C 56.411 0.3 1 65 8 8 GLN CB C 26.625 0.3 1 66 8 8 GLN CG C 33.358 0.3 1 67 8 8 GLN N N 120.119 0.3 1 68 9 9 ILE H H 8.383 0.020 1 69 9 9 ILE HA H 3.634 0.020 1 70 9 9 ILE HB H 1.804 0.020 1 71 9 9 ILE HG12 H 0.883 0.020 1 72 9 9 ILE HG13 H 0.883 0.020 1 73 9 9 ILE HG2 H 0.936 0.020 1 74 9 9 ILE HD1 H 0.662 0.020 1 75 9 9 ILE CA C 64.046 0.3 1 76 9 9 ILE CB C 34.954 0.3 1 77 9 9 ILE CG1 C 27.539 0.3 1 78 9 9 ILE CG2 C 14.518 0.3 1 79 9 9 ILE CD1 C 10.291 0.3 1 80 9 9 ILE N N 120.115 0.3 1 81 10 10 ALA H H 7.935 0.020 1 82 10 10 ALA HA H 3.929 0.020 1 83 10 10 ALA HB H 1.345 0.020 1 84 10 10 ALA CA C 52.657 0.3 1 85 10 10 ALA CB C 14.975 0.3 1 86 10 10 ALA N N 121.405 0.3 1 87 11 11 GLU H H 7.671 0.020 1 88 11 11 GLU HA H 3.890 0.020 1 89 11 11 GLU HB2 H 1.778 0.020 2 90 11 11 GLU HB3 H 1.883 0.020 2 91 11 11 GLU HG2 H 2.165 0.020 1 92 11 11 GLU HG3 H 2.165 0.020 1 93 11 11 GLU CA C 56.673 0.3 1 94 11 11 GLU CB C 26.968 0.3 1 95 11 11 GLU CG C 33.472 0.3 1 96 11 11 GLU N N 118.499 0.3 1 97 12 12 PHE H H 8.227 0.020 1 98 12 12 PHE HA H 3.152 0.020 1 99 12 12 PHE HB2 H 2.173 0.020 1 100 12 12 PHE HB3 H 2.173 0.020 1 101 12 12 PHE CA C 59.501 0.3 1 102 12 12 PHE CB C 35.644 0.3 1 103 12 12 PHE N N 117.342 0.3 1 104 13 13 LYS H H 8.917 0.020 1 105 13 13 LYS HA H 3.923 0.020 1 106 13 13 LYS HB2 H 1.883 0.020 1 107 13 13 LYS HB3 H 1.883 0.020 1 108 13 13 LYS HG2 H 1.527 0.020 1 109 13 13 LYS HG3 H 1.527 0.020 1 110 13 13 LYS HD2 H 1.761 0.020 1 111 13 13 LYS HD3 H 1.761 0.020 1 112 13 13 LYS HE2 H 2.517 0.020 1 113 13 13 LYS HE3 H 2.517 0.020 1 114 13 13 LYS CA C 57.154 0.3 1 115 13 13 LYS CB C 26.169 0.3 1 116 13 13 LYS CG C 24.455 0.3 1 117 13 13 LYS CD C 29.824 0.3 1 118 13 13 LYS CE C 39.419 0.3 1 119 13 13 LYS N N 122.871 0.3 1 120 14 14 GLU H H 7.780 0.020 1 121 14 14 GLU HA H 3.858 0.020 1 122 14 14 GLU HB2 H 1.778 0.020 2 123 14 14 GLU HB3 H 1.883 0.020 2 124 14 14 GLU HG2 H 2.175 0.020 1 125 14 14 GLU HG3 H 2.175 0.020 1 126 14 14 GLU CA C 56.471 0.3 1 127 14 14 GLU CB C 26.662 0.3 1 128 14 14 GLU CG C 33.479 0.3 1 129 14 14 GLU N N 120.129 0.3 1 130 15 15 ALA H H 8.102 0.020 1 131 15 15 ALA HA H 3.867 0.020 1 132 15 15 ALA HB H 1.653 0.020 1 133 15 15 ALA CA C 52.869 0.3 1 134 15 15 ALA CB C 15.232 0.3 1 135 15 15 ALA N N 123.561 0.3 1 136 16 16 PHE H H 8.425 0.020 1 137 16 16 PHE HA H 3.132 0.020 1 138 16 16 PHE HB2 H 2.135 0.020 1 139 16 16 PHE HB3 H 2.135 0.020 1 140 16 16 PHE CA C 58.983 0.3 1 141 16 16 PHE CB C 36.739 0.3 1 142 16 16 PHE N N 118.907 0.3 1 143 17 17 SER H H 7.890 0.020 1 144 17 17 SER HA H 3.877 0.020 1 145 17 17 SER HB2 H 3.923 0.020 1 146 17 17 SER HB3 H 3.923 0.020 1 147 17 17 SER CA C 58.999 0.3 1 148 17 17 SER CB C 60.436 0.3 1 149 17 17 SER N N 114.729 0.3 1 150 18 18 LEU H H 7.180 0.020 1 151 18 18 LEU HA H 3.785 0.020 1 152 18 18 LEU HB2 H 1.600 0.020 1 153 18 18 LEU HB3 H 1.600 0.020 1 154 18 18 LEU HG H 1.528 0.020 1 155 18 18 LEU HD1 H 0.472 0.020 1 156 18 18 LEU HD2 H 0.611 0.020 1 157 18 18 LEU CA C 54.620 0.3 1 158 18 18 LEU CB C 38.374 0.3 1 159 18 18 LEU CG C 23.668 0.3 1 160 18 18 LEU CD1 C 20.686 0.3 1 161 18 18 LEU CD2 C 22.414 0.3 1 162 18 18 LEU N N 120.066 0.3 1 163 19 19 PHE H H 6.993 0.020 1 164 19 19 PHE HA H 3.949 0.020 1 165 19 19 PHE HB2 H 2.801 0.020 1 166 19 19 PHE HB3 H 2.801 0.020 1 167 19 19 PHE CA C 56.370 0.3 1 168 19 19 PHE CB C 39.172 0.3 1 169 19 19 PHE N N 112.537 0.3 1 170 20 20 ASP H H 7.436 0.020 1 171 20 20 ASP HA H 4.447 0.020 1 172 20 20 ASP HB2 H 2.489 0.020 1 173 20 20 ASP HB3 H 2.489 0.020 1 174 20 20 ASP CA C 49.638 0.3 1 175 20 20 ASP CB C 37.106 0.3 1 176 20 20 ASP N N 117.217 0.3 1 177 21 21 LYS H H 7.505 0.020 1 178 21 21 LYS HA H 3.811 0.020 1 179 21 21 LYS HB2 H 1.699 0.020 1 180 21 21 LYS HB3 H 1.699 0.020 1 181 21 21 LYS HG2 H 1.331 0.020 2 182 21 21 LYS HG3 H 1.233 0.020 2 183 21 21 LYS HD2 H 1.491 0.020 1 184 21 21 LYS HD3 H 1.491 0.020 1 185 21 21 LYS HE2 H 2.816 0.020 1 186 21 21 LYS HE3 H 2.816 0.020 1 187 21 21 LYS CA C 55.529 0.3 1 188 21 21 LYS CB C 29.596 0.3 1 189 21 21 LYS CG C 21.714 0.3 1 190 21 21 LYS CD C 26.176 0.3 1 191 21 21 LYS CE C 39.190 0.3 1 192 21 21 LYS N N 124.296 0.3 1 193 22 22 ASP H H 7.825 0.020 1 194 22 22 ASP HA H 4.421 0.020 1 195 22 22 ASP HB2 H 2.485 0.020 2 196 22 22 ASP HB3 H 2.880 0.020 2 197 22 22 ASP CA C 50.061 0.3 1 198 22 22 ASP CB C 36.897 0.3 1 199 22 22 ASP N N 113.736 0.3 1 200 23 23 GLY H H 7.504 0.020 1 201 23 23 GLY HA2 H 3.713 0.020 1 202 23 23 GLY HA3 H 3.713 0.020 1 203 23 23 GLY CA C 44.487 0.3 1 204 23 23 GLY N N 109.075 0.3 1 205 24 24 ASP H H 8.304 0.020 1 206 24 24 ASP HA H 4.309 0.020 1 207 24 24 ASP HB2 H 2.863 0.020 1 208 24 24 ASP HB3 H 2.863 0.020 2 209 24 24 ASP C C 174.572 0.3 1 210 24 24 ASP CA C 50.917 0.3 1 211 24 24 ASP CB C 37.683 0.3 1 212 24 24 ASP N N 120.749 0.3 1 213 25 25 GLY H H 10.341 0.020 1 214 25 25 GLY HA2 H 3.529 0.020 1 215 25 25 GLY HA3 H 3.529 0.020 2 216 25 25 GLY CA C 42.602 0.3 1 217 25 25 GLY N N 112.474 0.3 1 218 26 26 THR H H 8.010 0.020 1 219 26 26 THR HA H 5.299 0.020 1 220 26 26 THR HB H 3.666 0.020 1 221 26 26 THR HG2 H 0.866 0.020 1 222 26 26 THR CA C 56.878 0.3 1 223 26 26 THR CB C 70.031 0.3 1 224 26 26 THR CG2 C 18.972 0.3 1 225 26 26 THR N N 111.838 0.3 1 226 27 27 ILE H H 9.735 0.020 1 227 27 27 ILE HA H 4.650 0.020 1 228 27 27 ILE HB H 1.594 0.020 1 229 27 27 ILE HG12 H 0.787 0.020 1 230 27 27 ILE HG13 H 0.787 0.020 2 231 27 27 ILE HG2 H 0.977 0.020 1 232 27 27 ILE HD1 H 0.026 0.020 1 233 27 27 ILE CA C 58.255 0.3 1 234 27 27 ILE CB C 37.133 0.3 1 235 27 27 ILE CG1 C 14.890 0.3 1 236 27 27 ILE CG2 C 24.348 0.3 1 237 27 27 ILE CD1 C 11.352 0.3 1 238 27 27 ILE N N 126.257 0.3 1 239 28 28 THR H H 8.315 0.020 1 240 28 28 THR HA H 4.651 0.020 1 241 28 28 THR HB H 3.838 0.020 1 242 28 28 THR HG2 H 0.952 0.020 1 243 28 28 THR CA C 56.878 0.3 1 244 28 28 THR CB C 70.009 0.3 1 245 28 28 THR CG2 C 19.543 0.3 1 246 28 28 THR N N 116.303 0.3 1 247 29 29 THR H H 9.049 0.020 1 248 29 29 THR HA H 3.621 0.020 1 249 29 29 THR HB H 4.054 0.020 1 250 29 29 THR HG2 H 1.121 0.020 1 251 29 29 THR CA C 63.742 0.3 1 252 29 29 THR CB C 65.160 0.3 1 253 29 29 THR CG2 C 20.586 0.3 1 254 29 29 THR N N 112.277 0.3 1 255 30 30 LYS H H 7.447 0.020 1 256 30 30 LYS HA H 3.949 0.020 1 257 30 30 LYS HB2 H 1.692 0.020 1 258 30 30 LYS HB3 H 1.692 0.020 1 259 30 30 LYS HG2 H 1.256 0.020 2 260 30 30 LYS HG3 H 1.331 0.020 2 261 30 30 LYS HD3 H 1.502 0.020 1 262 30 30 LYS HE2 H 2.827 0.020 1 263 30 30 LYS CA C 56.539 0.3 1 264 30 30 LYS CB C 29.906 0.3 1 265 30 30 LYS CG C 22.171 0.3 1 266 30 30 LYS CD C 26.397 0.3 1 267 30 30 LYS CE C 39.304 0.3 1 268 30 30 LYS N N 120.776 0.3 1 269 31 31 GLU H H 7.521 0.020 1 270 31 31 GLU HA H 3.906 0.020 1 271 31 31 GLU HB2 H 1.897 0.020 1 272 31 31 GLU HB3 H 1.897 0.020 2 273 31 31 GLU HG2 H 2.164 0.020 1 274 31 31 GLU HG3 H 2.164 0.020 1 275 31 31 GLU CA C 56.677 0.3 1 276 31 31 GLU CB C 27.082 0.3 1 277 31 31 GLU CG C 33.593 0.3 1 278 31 31 GLU N N 121.064 0.3 1 279 32 32 LEU H H 8.687 0.020 1 280 32 32 LEU HA H 4.057 0.020 1 281 32 32 LEU HB2 H 1.705 0.020 1 282 32 32 LEU HB3 H 1.705 0.020 1 283 32 32 LEU HG H 1.530 0.020 1 284 32 32 LEU HD1 H 0.702 0.020 1 285 32 32 LEU HD2 H 0.702 0.020 1 286 32 32 LEU CA C 55.394 0.3 1 287 32 32 LEU CB C 39.852 0.3 1 288 32 32 LEU CG C 23.892 0.3 1 289 32 32 LEU CD1 C 20.814 0.3 1 290 32 32 LEU N N 120.376 0.3 1 291 33 33 GLY H H 8.697 0.020 1 292 33 33 GLY HA2 H 3.851 0.020 2 293 33 33 GLY HA3 H 3.378 0.020 2 294 33 33 GLY CA C 45.733 0.3 1 295 33 33 GLY N N 105.863 0.3 1 296 34 34 THR H H 7.747 0.020 1 297 34 34 THR HA H 3.779 0.020 1 298 34 34 THR HB H 4.162 0.020 1 299 34 34 THR HG2 H 1.105 0.020 1 300 34 34 THR CA C 64.259 0.3 1 301 34 34 THR CB C 66.033 0.3 1 302 34 34 THR CG2 C 18.515 0.3 1 303 34 34 THR N N 117.298 0.3 1 304 35 35 VAL H H 7.243 0.020 1 305 35 35 VAL HA H 3.405 0.020 1 306 35 35 VAL HB H 1.889 0.020 1 307 35 35 VAL HG1 H 0.295 0.020 1 308 35 35 VAL HG2 H 0.721 0.020 1 309 35 35 VAL CA C 64.214 0.3 1 310 35 35 VAL CB C 28.715 0.3 1 311 35 35 VAL CG1 C 17.740 0.3 1 312 35 35 VAL CG2 C 20.115 0.3 1 313 35 35 VAL N N 121.563 0.3 1 314 36 36 MET H H 8.458 0.020 1 315 36 36 MET HA H 3.901 0.020 1 316 36 36 MET HB2 H 1.891 0.020 1 317 36 36 MET HB3 H 1.891 0.020 1 318 36 36 MET HG2 H 2.160 0.020 1 319 36 36 MET HG3 H 2.160 0.020 1 320 36 36 MET CA C 56.269 0.3 1 321 36 36 MET CB C 26.270 0.3 1 322 36 36 MET CG C 33.472 0.3 1 323 36 36 MET N N 117.400 0.3 1 324 37 37 ARG H H 8.323 0.020 1 325 37 37 ARG HA H 3.890 0.020 1 326 37 37 ARG HB2 H 1.759 0.020 1 327 37 37 ARG HB3 H 1.759 0.020 1 328 37 37 ARG HG2 H 1.515 0.020 1 329 37 37 ARG HG3 H 1.515 0.020 1 330 37 37 ARG HD2 H 3.017 0.020 1 331 37 37 ARG HD3 H 3.017 0.020 1 332 37 37 ARG CA C 56.337 0.3 1 333 37 37 ARG CB C 27.317 0.3 1 334 37 37 ARG CG C 24.922 0.3 1 335 37 37 ARG CD C 40.904 0.3 1 336 37 37 ARG N N 118.303 0.3 1 337 38 38 SER H H 7.753 0.020 1 338 38 38 SER HA H 3.936 0.020 1 339 38 38 SER HB2 H 3.929 0.020 1 340 38 38 SER HB3 H 3.929 0.020 1 341 38 38 SER CA C 59.635 0.3 1 342 38 38 SER CB C 60.376 0.3 1 343 38 38 SER N N 119.141 0.3 1 344 39 39 LEU H H 7.248 0.020 1 345 39 39 LEU HA H 4.112 0.020 1 346 39 39 LEU HB2 H 1.575 0.020 1 347 39 39 LEU HB3 H 1.575 0.020 1 348 39 39 LEU HG H 1.528 0.020 1 349 39 39 LEU HD1 H 0.570 0.020 1 350 39 39 LEU HD2 H 0.445 0.020 1 351 39 39 LEU CA C 51.438 0.3 1 352 39 39 LEU CB C 38.391 0.3 1 353 39 39 LEU CG C 24.067 0.3 1 354 39 39 LEU CD1 C 23.359 0.3 1 355 39 39 LEU CD2 C 20.527 0.3 1 356 39 39 LEU N N 117.995 0.3 1 357 40 40 GLY H H 7.626 0.020 1 358 40 40 GLY HA2 H 4.071 0.020 1 359 40 40 GLY HA3 H 4.071 0.020 2 360 40 40 GLY CA C 42.872 0.3 1 361 40 40 GLY N N 106.739 0.3 1 362 41 41 GLN H H 7.755 0.020 1 363 41 41 GLN HA H 4.269 0.020 1 364 41 41 GLN HB2 H 1.742 0.020 1 365 41 41 GLN HB3 H 1.742 0.020 1 366 41 41 GLN HG2 H 1.989 0.020 1 367 41 41 GLN HG3 H 1.989 0.020 1 368 41 41 GLN CA C 50.853 0.3 1 369 41 41 GLN CB C 27.759 0.3 1 370 41 41 GLN CG C 30.395 0.3 1 371 41 41 GLN N N 118.046 0.3 1 372 42 42 ASN H H 8.540 0.020 1 373 42 42 ASN HA H 5.013 0.020 1 374 42 42 ASN HB2 H 2.606 0.020 1 375 42 42 ASN HB3 H 2.329 0.020 2 376 42 42 ASN CA C 48.562 0.3 1 377 42 42 ASN CB C 36.318 0.3 1 378 42 42 ASN N N 115.940 0.3 1 379 44 44 THR H H 8.663 0.020 1 380 44 44 THR HA H 4.277 0.020 1 381 44 44 THR HB H 4.625 0.020 1 382 44 44 THR HG2 H 1.154 0.020 1 383 44 44 THR CA C 57.851 0.3 1 384 44 44 THR CB C 68.317 0.3 1 385 44 44 THR CG2 C 18.858 0.3 1 386 44 44 THR N N 112.937 0.3 1 387 45 45 GLU H H 8.651 0.020 1 388 45 45 GLU HA H 3.896 0.020 1 389 45 45 GLU HB2 H 1.876 0.020 1 390 45 45 GLU HB3 H 1.876 0.020 1 391 45 45 GLU HG2 H 2.165 0.020 1 392 45 45 GLU HG3 H 2.165 0.020 1 393 45 45 GLU CA C 57.245 0.3 1 394 45 45 GLU CB C 26.276 0.3 1 395 45 45 GLU CG C 33.582 0.3 1 396 45 45 GLU N N 120.439 0.3 1 397 46 46 ALA H H 8.109 0.020 1 398 46 46 ALA HA H 3.923 0.020 1 399 46 46 ALA HB H 1.220 0.020 1 400 46 46 ALA CA C 52.316 0.3 1 401 46 46 ALA CB C 15.089 0.3 1 402 46 46 ALA N N 120.660 0.3 1 403 47 47 GLU H H 7.532 0.020 1 404 47 47 GLU HA H 3.877 0.020 1 405 47 47 GLU HB2 H 1.878 0.020 2 406 47 47 GLU HB3 H 1.772 0.020 2 407 47 47 GLU HG2 H 2.165 0.020 1 408 47 47 GLU HG3 H 2.165 0.020 1 409 47 47 GLU CA C 56.508 0.3 1 410 47 47 GLU CB C 26.632 0.3 1 411 47 47 GLU CG C 33.586 0.3 1 412 47 47 GLU N N 118.571 0.3 1 413 48 48 LEU H H 8.232 0.020 1 414 48 48 LEU HA H 4.059 0.020 1 415 48 48 LEU HB2 H 1.699 0.020 1 416 48 48 LEU HB3 H 1.699 0.020 1 417 48 48 LEU HG H 1.679 0.020 1 418 48 48 LEU HD1 H 0.702 0.020 1 419 48 48 LEU HD2 H 0.780 0.020 1 420 48 48 LEU CA C 55.327 0.3 1 421 48 48 LEU CB C 39.568 0.3 1 422 48 48 LEU CG C 29.596 0.3 1 423 48 48 LEU CD1 C 23.656 0.3 1 424 48 48 LEU CD2 C 21.160 0.3 1 425 48 48 LEU N N 120.085 0.3 1 426 49 49 GLN H H 7.938 0.020 1 427 49 49 GLN HA H 3.913 0.020 1 428 49 49 GLN HB2 H 1.889 0.020 1 429 49 49 GLN HB3 H 1.889 0.020 1 430 49 49 GLN HG2 H 2.166 0.020 1 431 49 49 GLN HG3 H 2.166 0.020 1 432 49 49 GLN CA C 55.927 0.3 1 433 49 49 GLN CB C 27.145 0.3 1 434 49 49 GLN CG C 33.479 0.3 1 435 49 49 GLN N N 118.111 0.3 1 436 50 50 ASP H H 7.923 0.020 1 437 50 50 ASP HA H 3.952 0.020 1 438 50 50 ASP HB2 H 1.897 0.020 2 439 50 50 ASP HB3 H 1.759 0.020 2 440 50 50 ASP CA C 54.953 0.3 1 441 50 50 ASP CB C 37.28 0.3 1 442 50 50 ASP N N 119.876 0.3 1 443 51 51 MET H H 7.913 0.020 1 444 51 51 MET HA H 3.847 0.020 1 445 51 51 MET HB2 H 2.394 0.020 2 446 51 51 MET HB3 H 2.650 0.020 2 447 51 51 MET HG2 H 1.874 0.020 1 448 51 51 MET HG3 H 1.874 0.020 1 449 51 51 MET CA C 56.976 0.3 1 450 51 51 MET CB C 30.374 0.3 1 451 51 51 MET CG C 29.83 0.3 1 452 51 51 MET N N 119.513 0.3 1 453 52 52 ILE H H 7.681 0.020 1 454 52 52 ILE HA H 3.348 0.020 1 455 52 52 ILE HB H 1.868 0.020 1 456 52 52 ILE HG12 H 0.568 0.020 2 457 52 52 ILE HG13 H 0.515 0.020 2 458 52 52 ILE HG2 H 1.482 0.020 1 459 52 52 ILE HD1 H 0.547 0.020 1 460 52 52 ILE CA C 61.675 0.3 1 461 52 52 ILE CB C 33.822 0.3 1 462 52 52 ILE CG1 C 13.604 0.3 1 463 52 52 ILE CG2 C 26.054 0.3 1 464 52 52 ILE CD1 C 8.921 0.3 1 465 52 52 ILE N N 116.864 0.3 1 466 53 53 ASN H H 8.202 0.020 1 467 53 53 ASN HA H 4.263 0.020 1 468 53 53 ASN HB2 H 2.826 0.020 2 469 53 53 ASN HB3 H 2.730 0.020 2 470 53 53 ASN CA C 52.970 0.3 1 471 53 53 ASN CB C 35.078 0.3 1 472 53 53 ASN N N 117.493 0.3 1 473 54 54 GLU H H 7.362 0.020 1 474 54 54 GLU HA H 3.870 0.020 1 475 54 54 GLU HB2 H 1.889 0.020 1 476 54 54 GLU HB3 H 1.889 0.020 1 477 54 54 GLU HG2 H 2.171 0.020 1 478 54 54 GLU HG3 H 2.171 0.020 1 479 54 54 GLU CA C 55.798 0.3 1 480 54 54 GLU CB C 26.857 0.3 1 481 54 54 GLU CG C 33.244 0.3 1 482 54 54 GLU N N 116.857 0.3 1 483 55 55 VAL H H 7.147 0.020 1 484 55 55 VAL HA H 3.987 0.020 1 485 55 55 VAL HB H 1.910 0.020 1 486 55 55 VAL HG1 H 0.909 0.020 1 487 55 55 VAL HG2 H 0.695 0.020 1 488 55 55 VAL CA C 58.727 0.3 1 489 55 55 VAL CB C 30.738 0.3 1 490 55 55 VAL CG1 C 20.343 0.3 1 491 55 55 VAL CG2 C 19.52 0.3 1 492 55 55 VAL N N 114.264 0.3 1 493 56 56 ASP H H 7.860 0.020 1 494 56 56 ASP HA H 4.435 0.020 1 495 56 56 ASP HB2 H 2.506 0.020 2 496 56 56 ASP HB3 H 2.368 0.020 2 497 56 56 ASP CA C 51.356 0.3 1 498 56 56 ASP CB C 38.364 0.3 1 499 56 56 ASP N N 119.756 0.3 1 500 57 57 ALA H H 8.115 0.020 1 501 57 57 ALA HA H 4.080 0.020 1 502 57 57 ALA HB H 1.345 0.020 1 503 57 57 ALA CA C 51.183 0.3 1 504 57 57 ALA CB C 16.942 0.3 1 505 57 57 ALA N N 131.417 0.3 1 506 58 58 ASP H H 8.120 0.020 1 507 58 58 ASP HA H 4.434 0.020 1 508 58 58 ASP HB2 H 2.873 0.020 2 509 58 58 ASP HB3 H 2.485 0.020 2 510 58 58 ASP CA C 50.008 0.3 1 511 58 58 ASP CB C 36.897 0.3 1 512 58 58 ASP N N 114.151 0.3 1 513 59 59 GLY H H 7.484 0.020 1 514 59 59 GLY HA2 H 3.717 0.020 1 515 59 59 GLY HA3 H 3.717 0.020 1 516 59 59 GLY CA C 44.487 0.3 1 517 59 59 GLY N N 108.768 0.3 1 518 60 60 ASN H H 8.081 0.020 1 519 60 60 ASN HA H 4.428 0.020 1 520 60 60 ASN HB2 H 2.492 0.020 1 521 60 60 ASN HB3 H 2.492 0.020 1 522 60 60 ASN C C 174.170 0.3 1 523 60 60 ASN CA C 49.974 0.3 1 524 60 60 ASN CB C 34.713 0.3 1 525 60 60 ASN N N 118.770 0.3 1 526 61 61 GLY H H 10.243 0.020 1 527 61 61 GLY HA2 H 3.327 0.020 2 528 61 61 GLY HA3 H 4.067 0.020 2 529 61 61 GLY CA C 42.905 0.3 1 530 61 61 GLY N N 112.712 0.3 1 531 62 62 THR H H 7.477 0.020 1 532 62 62 THR HA H 4.649 0.020 1 533 62 62 THR HB H 3.827 0.020 1 534 62 62 THR HG2 H 0.947 0.020 1 535 62 62 THR CA C 56.774 0.3 1 536 62 62 THR CB C 69.688 0.3 1 537 62 62 THR CG2 C 19.543 0.3 1 538 62 62 THR N N 108.060 0.3 1 539 63 63 ILE H H 8.430 0.020 1 540 63 63 ILE HA H 4.796 0.020 1 541 63 63 ILE HB H 1.855 0.020 1 542 63 63 ILE HG2 H 1.096 0.020 1 543 63 63 ILE HD1 H 0.787 0.020 1 544 63 63 ILE CA C 57.750 0.3 1 545 63 63 ILE CB C 37.363 0.3 1 546 63 63 ILE CG1 C 24.341 0.3 1 547 63 63 ILE CG2 C 15.431 0.3 1 548 63 63 ILE CD1 C 11.319 0.3 1 549 63 63 ILE N N 122.617 0.3 1 550 64 64 ASP H H 8.996 0.020 1 551 64 64 ASP HA H 5.333 0.020 1 552 64 64 ASP HB2 H 2.814 0.020 1 553 64 64 ASP HB3 H 2.814 0.020 2 554 64 64 ASP CA C 49.402 0.3 1 555 64 64 ASP CB C 39.761 0.3 1 556 64 64 ASP N N 128.615 0.3 1 557 65 65 PHE H H 8.756 0.020 1 558 65 65 PHE HA H 3.542 0.020 1 559 65 65 PHE HB2 H 1.673 0.020 1 560 65 65 PHE HB3 H 1.673 0.020 1 561 65 65 PHE CA C 60.213 0.3 1 562 65 65 PHE CB C 32.902 0.3 1 563 65 65 PHE N N 118.892 0.3 1 564 67 67 GLU H H 7.814 0.020 1 565 67 67 GLU HA H 3.899 0.020 1 566 67 67 GLU HB2 H 1.889 0.020 2 567 67 67 GLU HB3 H 1.761 0.020 2 568 67 67 GLU HG2 H 2.155 0.020 1 569 67 67 GLU HG3 H 2.155 0.020 1 570 67 67 GLU CA C 56.605 0.3 1 571 67 67 GLU CB C 26.397 0.3 1 572 67 67 GLU CG C 33.250 0.3 1 573 67 67 GLU N N 119.708 0.3 1 574 68 68 PHE H H 8.048 0.020 1 575 68 68 PHE HA H 3.647 0.020 1 576 68 68 PHE HB2 H 2.627 0.020 1 577 68 68 PHE HB3 H 2.627 0.020 1 578 68 68 PHE CA C 58.255 0.3 1 579 68 68 PHE CB C 37.591 0.3 1 580 68 68 PHE N N 123.035 0.3 1 581 69 69 LEU H H 8.649 0.020 1 582 69 69 LEU HA H 3.763 0.020 1 583 69 69 LEU HB2 H 1.109 0.020 1 584 69 69 LEU HB3 H 1.109 0.020 1 585 69 69 LEU HG H 1.529 0.020 1 586 69 69 LEU HD1 H 0.478 0.020 1 587 69 69 LEU HD2 H 0.603 0.020 1 588 69 69 LEU CA C 54.774 0.3 1 589 69 69 LEU CB C 38.577 0.3 1 590 69 69 LEU CG C 23.919 0.3 1 591 69 69 LEU CD1 C 20.835 0.3 1 592 69 69 LEU CD2 C 22.549 0.3 1 593 69 69 LEU N N 119.481 0.3 1 594 70 70 THR H H 7.894 0.020 1 595 70 70 THR HA H 3.501 0.020 1 596 70 70 THR HB H 3.947 0.020 1 597 70 70 THR HG2 H 0.997 0.020 1 598 70 70 THR CA C 63.861 0.3 1 599 70 70 THR CB C 66.045 0.3 1 600 70 70 THR CG2 C 18.515 0.3 1 601 70 70 THR N N 113.842 0.3 1 602 71 71 MET H H 7.120 0.020 1 603 71 71 MET HA H 3.913 0.020 1 604 71 71 MET HB2 H 1.700 0.020 1 605 71 71 MET HB3 H 1.700 0.020 1 606 71 71 MET HG2 H 2.337 0.020 1 607 71 71 MET HG3 H 2.337 0.020 1 608 71 71 MET CA C 56.000 0.3 1 609 71 71 MET CB C 29.595 0.3 1 610 71 71 MET CG C 29.481 0.3 1 611 71 71 MET N N 119.518 0.3 1 612 72 72 MET H H 7.715 0.020 1 613 72 72 MET HA H 3.860 0.020 1 614 72 72 MET HB2 H 1.727 0.020 1 615 72 72 MET HB3 H 1.727 0.020 1 616 72 72 MET HG2 H 2.395 0.020 1 617 72 72 MET HG3 H 2.395 0.020 1 618 72 72 MET HE H 2.110 0.020 1 619 72 72 MET CA C 54.990 0.3 1 620 72 72 MET CB C 26.617 0.3 1 621 72 72 MET CG C 29.595 0.3 1 622 72 72 MET N N 116.386 0.3 1 623 73 73 ALA H H 8.318 0.020 1 624 73 73 ALA HA H 3.832 0.020 1 625 73 73 ALA HB H 1.128 0.020 1 626 73 73 ALA CA C 51.859 0.3 1 627 73 73 ALA CB C 15.376 0.3 1 628 73 73 ALA N N 119.953 0.3 1 629 74 74 ARG H H 7.281 0.020 1 630 74 74 ARG HA H 3.860 0.020 1 631 74 74 ARG HB2 H 1.664 0.020 1 632 74 74 ARG HB3 H 1.664 0.020 1 633 74 74 ARG HG2 H 1.762 0.020 1 634 74 74 ARG HG3 H 1.762 0.020 1 635 74 74 ARG HD2 H 3.039 0.020 1 636 74 74 ARG HD3 H 3.039 0.020 1 637 74 74 ARG CA C 55.933 0.3 1 638 74 74 ARG CB C 29.140 0.3 1 639 74 74 ARG CG C 26.860 0.3 1 640 74 74 ARG CD C 40.675 0.3 1 641 74 74 ARG N N 116.354 0.3 1 642 75 75 LYS H H 7.767 0.020 1 643 75 75 LYS HA H 3.948 0.020 1 644 75 75 LYS HB2 H 1.494 0.020 1 645 75 75 LYS HB3 H 1.494 0.020 1 646 75 75 LYS HG2 H 1.223 0.020 1 647 75 75 LYS HG3 H 1.223 0.020 1 648 75 75 LYS HD2 H 1.626 0.020 1 649 75 75 LYS HD3 H 1.626 0.020 1 650 75 75 LYS HE2 H 2.805 0.020 1 651 75 75 LYS HE3 H 2.805 0.020 1 652 75 75 LYS CA C 54.788 0.3 1 653 75 75 LYS CB C 26.404 0.3 1 654 75 75 LYS CG C 21.714 0.3 1 655 75 75 LYS CD C 30.852 0.3 1 656 75 75 LYS CE C 39.419 0.3 1 657 75 75 LYS N N 120.084 0.3 1 658 76 76 MET H H 7.941 0.020 1 659 76 76 MET HA H 3.954 0.020 1 660 76 76 MET HB2 H 1.628 0.020 1 661 76 76 MET HB3 H 1.628 0.020 1 662 76 76 MET HG2 H 1.490 0.020 1 663 76 76 MET HG3 H 1.490 0.020 1 664 76 76 MET HE H 1.226 0.020 1 665 76 76 MET CA C 54.552 0.3 1 666 76 76 MET CB C 30.052 0.3 1 667 76 76 MET CG C 26.204 0.3 1 668 76 76 MET CE C 21.978 0.3 1 669 76 76 MET N N 116.881 0.3 1 670 77 77 LYS H H 7.264 0.020 1 671 77 77 LYS HA H 4.221 0.020 1 672 77 77 LYS HB2 H 1.495 0.020 1 673 77 77 LYS HB3 H 1.495 0.020 1 674 77 77 LYS HG2 H 1.229 0.020 2 675 77 77 LYS HG3 H 1.346 0.020 2 676 77 77 LYS HD2 H 1.644 0.020 2 677 77 77 LYS HD3 H 1.793 0.020 2 678 77 77 LYS HE2 H 2.805 0.020 1 679 77 77 LYS HE3 H 2.805 0.020 1 680 77 77 LYS CA C 53.307 0.3 1 681 77 77 LYS CB C 27.246 0.3 1 682 77 77 LYS CG C 21.828 0.3 1 683 77 77 LYS CD C 30.509 0.3 1 684 77 77 LYS CE C 39.419 0.3 1 685 77 77 LYS N N 116.614 0.3 1 686 78 78 ASP H H 8.140 0.020 1 687 78 78 ASP HA H 4.426 0.020 1 688 78 78 ASP HB2 H 2.312 0.020 1 689 78 78 ASP HB3 H 2.312 0.020 1 690 78 78 ASP CA C 51.732 0.3 1 691 78 78 ASP CB C 39.021 0.3 1 692 78 78 ASP N N 123.089 0.3 1 693 79 79 THR H H 8.316 0.020 1 694 79 79 THR HA H 4.034 0.020 1 695 79 79 THR HB H 4.151 0.020 1 696 79 79 THR HG2 H 1.128 0.020 1 697 79 79 THR CA C 61.150 0.3 1 698 79 79 THR CB C 66.147 0.3 1 699 79 79 THR CG2 C 18.972 0.3 1 700 79 79 THR N N 114.423 0.3 1 701 80 80 ASP H H 8.240 0.020 1 702 80 80 ASP HA H 4.440 0.020 1 703 80 80 ASP HB2 H 2.506 0.020 1 704 80 80 ASP HB3 H 2.506 0.020 1 705 80 80 ASP CA C 51.759 0.3 1 706 80 80 ASP CB C 37.810 0.3 1 707 80 80 ASP N N 120.819 0.3 1 708 81 81 SER H H 7.798 0.020 1 709 81 81 SER HA H 4.215 0.020 1 710 81 81 SER HB2 H 3.801 0.020 2 711 81 81 SER HB3 H 3.932 0.020 2 712 81 81 SER CA C 57.683 0.3 1 713 81 81 SER CB C 60.664 0.3 1 714 81 81 SER N N 115.729 0.3 1 715 82 82 GLU H H 8.186 0.020 1 716 82 82 GLU HA H 3.896 0.020 1 717 82 82 GLU HB2 H 1.897 0.020 1 718 82 82 GLU HB3 H 1.897 0.020 2 719 82 82 GLU HG2 H 2.164 0.020 1 720 82 82 GLU HG3 H 2.164 0.020 1 721 82 82 GLU CA C 56.707 0.3 1 722 82 82 GLU CB C 26.625 0.3 1 723 82 82 GLU CG C 33.479 0.3 1 724 82 82 GLU N N 122.083 0.3 1 725 83 83 GLU H H 7.937 0.020 1 726 83 83 GLU HA H 3.873 0.020 1 727 83 83 GLU HB2 H 1.761 0.020 2 728 83 83 GLU HB3 H 1.889 0.020 2 729 83 83 GLU HG2 H 2.166 0.020 1 730 83 83 GLU HG3 H 2.166 0.020 1 731 83 83 GLU CA C 55.928 0.3 1 732 83 83 GLU CB C 26.832 0.3 1 733 83 83 GLU CG C 33.593 0.3 1 734 83 83 GLU N N 118.040 0.3 1 735 84 84 GLU H H 8.080 0.020 1 736 84 84 GLU HA H 3.917 0.020 1 737 84 84 GLU HB2 H 1.477 0.020 1 738 84 84 GLU HB3 H 1.477 0.020 1 739 84 84 GLU HG2 H 2.804 0.020 1 740 84 84 GLU HG3 H 2.804 0.020 1 741 84 84 GLU CA C 54.620 0.3 1 742 84 84 GLU CB C 26.318 0.3 1 743 84 84 GLU CG C 39.340 0.3 1 744 84 84 GLU N N 118.604 0.3 1 745 85 85 ILE H H 7.863 0.020 1 746 85 85 ILE HA H 3.619 0.020 1 747 85 85 ILE HB H 1.786 0.020 1 748 85 85 ILE HG12 H 0.879 0.020 1 749 85 85 ILE HG13 H 0.879 0.020 1 750 85 85 ILE HG2 H 0.938 0.020 1 751 85 85 ILE HD1 H 0.662 0.020 1 752 85 85 ILE CA C 63.338 0.3 1 753 85 85 ILE CB C 34.688 0.3 1 754 85 85 ILE CG1 C 27.450 0.3 1 755 85 85 ILE CG2 C 14.324 0.3 1 756 85 85 ILE CD1 C 9.984 0.3 1 757 85 85 ILE N N 120.249 0.3 1 758 86 86 ARG H H 8.177 0.020 1 759 86 86 ARG HA H 3.925 0.020 1 760 86 86 ARG HB2 H 1.769 0.020 1 761 86 86 ARG HB3 H 1.876 0.020 2 762 86 86 ARG HG2 H 1.513 0.020 1 763 86 86 ARG HG3 H 1.513 0.020 1 764 86 86 ARG HD2 H 2.811 0.020 1 765 86 86 ARG HD3 H 2.811 0.020 1 766 86 86 ARG CA C 57.346 0.3 1 767 86 86 ARG CB C 26.854 0.3 1 768 86 86 ARG CG C 24.569 0.3 1 769 86 86 ARG CD C 40.72 0.3 1 770 86 86 ARG N N 120.640 0.3 1 771 87 87 GLU H H 7.823 0.020 1 772 87 87 GLU HA H 3.887 0.020 1 773 87 87 GLU HB2 H 1.896 0.020 1 774 87 87 GLU HB3 H 1.896 0.020 1 775 87 87 GLU HG2 H 2.164 0.020 1 776 87 87 GLU HG3 H 2.164 0.020 1 777 87 87 GLU CA C 56.510 0.3 1 778 87 87 GLU CB C 26.401 0.3 1 779 87 87 GLU CG C 33.575 0.3 1 780 87 87 GLU N N 119.782 0.3 1 781 88 88 ALA H H 8.194 0.020 1 782 88 88 ALA HA H 4.028 0.020 1 783 88 88 ALA HB H 1.609 0.020 1 784 88 88 ALA CA C 52.566 0.3 1 785 88 88 ALA CB C 14.632 0.3 1 786 88 88 ALA N N 122.318 0.3 1 787 89 89 PHE H H 8.406 0.020 1 788 89 89 PHE HA H 3.133 0.020 1 789 89 89 PHE HB2 H 3.028 0.020 1 790 89 89 PHE HB3 H 3.028 0.020 1 791 89 89 PHE CA C 58.983 0.3 1 792 89 89 PHE CB C 36.370 0.3 1 793 89 89 PHE N N 118.832 0.3 1 794 90 90 ARG H H 7.740 0.020 1 795 90 90 ARG HA H 3.893 0.020 1 796 90 90 ARG HB2 H 1.749 0.020 1 797 90 90 ARG HB3 H 1.749 0.020 1 798 90 90 ARG HG2 H 1.506 0.020 1 799 90 90 ARG HG3 H 1.506 0.020 1 800 90 90 ARG HD2 H 3.012 0.020 1 801 90 90 ARG HD3 H 3.012 0.020 1 802 90 90 ARG CA C 55.899 0.3 1 803 90 90 ARG CB C 27.394 0.3 1 804 90 90 ARG CG C 24.993 0.3 1 805 90 90 ARG CD C 40.888 0.3 1 806 90 90 ARG N N 116.969 0.3 1 807 91 91 VAL H H 7.282 0.020 1 808 91 91 VAL HA H 3.288 0.020 1 809 91 91 VAL HB H 1.848 0.020 1 810 91 91 VAL HG1 H 0.296 0.020 1 811 91 91 VAL HG2 H 0.750 0.020 1 812 91 91 VAL CA C 63.333 0.3 1 813 91 91 VAL CB C 28.456 0.3 1 814 91 91 VAL CG1 C 18.401 0.3 1 815 91 91 VAL CG2 C 20.229 0.3 1 816 91 91 VAL N N 118.958 0.3 1 817 92 92 PHE H H 6.822 0.020 1 818 92 92 PHE HA H 3.954 0.020 1 819 92 92 PHE HB2 H 2.798 0.020 1 820 92 92 PHE HB3 H 2.798 0.020 1 821 92 92 PHE CA C 56.606 0.3 1 822 92 92 PHE CB C 39.419 0.3 1 823 92 92 PHE N N 113.384 0.3 1 824 93 93 ALA H H 7.889 0.020 1 825 93 93 ALA HA H 3.921 0.020 1 826 93 93 ALA HB H 1.339 0.020 1 827 93 93 ALA CA C 48.830 0.3 1 828 93 93 ALA CB C 16.495 0.3 1 829 93 93 ALA N N 122.222 0.3 1 830 94 94 LYS H H 7.836 0.020 1 831 94 94 LYS HA H 3.932 0.020 1 832 94 94 LYS HB2 H 1.624 0.020 1 833 94 94 LYS HB3 H 1.624 0.020 1 834 94 94 LYS HG2 H 1.217 0.020 1 835 94 94 LYS HG3 H 1.217 0.020 1 836 94 94 LYS HD2 H 1.486 0.020 1 837 94 94 LYS HD3 H 1.486 0.020 1 838 94 94 LYS HE2 H 2.801 0.020 1 839 94 94 LYS HE3 H 2.801 0.020 1 840 94 94 LYS CA C 54.809 0.3 1 841 94 94 LYS CB C 30.710 0.3 1 842 94 94 LYS CG C 21.791 0.3 1 843 94 94 LYS CD C 26.251 0.3 1 844 94 94 LYS CE C 39.630 0.3 1 845 94 94 LYS N N 120.861 0.3 1 846 95 95 ASP H H 8.567 0.020 1 847 95 95 ASP HA H 4.434 0.020 1 848 95 95 ASP HB2 H 2.512 0.020 1 849 95 95 ASP HB3 H 2.512 0.020 1 850 95 95 ASP CA C 52.162 0.3 1 851 95 95 ASP CB C 37.800 0.3 1 852 95 95 ASP N N 119.161 0.3 1 853 96 96 GLY H H 7.955 0.020 1 854 96 96 GLY HA2 H 3.768 0.020 1 855 96 96 GLY CA C 43.276 0.3 1 856 96 96 GLY N N 107.207 0.3 1 857 97 97 ASN H H 8.109 0.020 1 858 97 97 ASN HA H 4.501 0.020 1 859 97 97 ASN HB2 H 2.486 0.020 1 860 97 97 ASN HB3 H 2.486 0.020 1 861 97 97 ASN CA C 50.244 0.3 1 862 97 97 ASN CB C 36.322 0.3 1 863 97 97 ASN N N 117.565 0.3 1 864 98 98 GLY H H 8.429 0.020 1 865 98 98 GLY HA2 H 3.768 0.020 1 866 98 98 GLY HA3 H 3.768 0.020 1 867 98 98 GLY CA C 42.636 0.3 1 868 98 98 GLY N N 107.108 0.3 1 869 99 99 TYR H H 7.019 0.020 1 870 99 99 TYR HA H 3.829 0.020 1 871 99 99 TYR CA C 52.735 0.3 1 872 99 99 TYR N N 114.221 0.3 1 873 101 101 SER H H 8.945 0.020 1 874 101 101 SER HA H 4.050 0.020 1 875 101 101 SER HB2 H 3.623 0.020 1 876 101 101 SER HB3 H 3.623 0.020 1 877 101 101 SER CA C 53.879 0.3 1 878 101 101 SER CB C 64.091 0.3 1 879 101 101 SER N N 123.800 0.3 1 880 102 102 ALA H H 9.053 0.020 1 881 102 102 ALA HA H 3.741 0.020 1 882 102 102 ALA HB H 1.342 0.020 1 883 102 102 ALA CA C 53.240 0.3 1 884 102 102 ALA CB C 14.975 0.3 1 885 102 102 ALA N N 124.809 0.3 1 886 103 103 ALA H H 8.160 0.020 1 887 103 103 ALA HA H 3.874 0.020 1 888 103 103 ALA HB H 1.217 0.020 1 889 103 103 ALA CA C 52.597 0.3 1 890 103 103 ALA CB C 15.203 0.3 1 891 103 103 ALA N N 118.545 0.3 1 892 104 104 GLU H H 7.610 0.020 1 893 104 104 GLU HA H 3.906 0.020 1 894 104 104 GLU HB2 H 1.887 0.020 2 895 104 104 GLU HB3 H 1.782 0.020 1 896 104 104 GLU HG2 H 2.144 0.020 1 897 104 104 GLU CA C 56.522 0.3 1 898 104 104 GLU CB C 27.395 0.3 1 899 104 104 GLU CG C 34.156 0.3 1 900 104 104 GLU N N 118.667 0.3 1 901 105 105 LEU H H 8.069 0.020 1 902 105 105 LEU HA H 4.116 0.020 1 903 105 105 LEU HB2 H 1.769 0.020 1 904 105 105 LEU HB3 H 1.769 0.020 1 905 105 105 LEU HG H 1.513 0.020 1 906 105 105 LEU HD1 H 0.643 0.020 1 907 105 105 LEU HD2 H 1.096 0.020 1 908 105 105 LEU CA C 55.764 0.3 1 909 105 105 LEU CB C 39.445 0.3 1 910 105 105 LEU CG C 23.770 0.3 1 911 105 105 LEU CD1 C 21.600 0.3 1 912 105 105 LEU N N 121.560 0.3 1 913 106 106 ARG H H 8.742 0.020 1 914 106 106 ARG HA H 3.939 0.020 1 915 106 106 ARG HB2 H 1.765 0.020 2 916 106 106 ARG HB3 H 1.882 0.020 2 917 106 106 ARG HG2 H 1.480 0.020 1 918 106 106 ARG HD2 H 2.795 0.020 2 919 106 106 ARG HD3 H 3.005 0.020 2 920 106 106 ARG CA C 57.313 0.3 1 921 106 106 ARG CB C 27.084 0.3 1 922 106 106 ARG CG C 25.260 0.3 1 923 106 106 ARG CD C 40.650 0.3 1 924 106 106 ARG N N 118.436 0.3 1 925 107 107 HIS H H 7.795 0.020 1 926 107 107 HIS HA H 3.912 0.020 1 927 107 107 HIS HB2 H 3.18 0.020 1 928 107 107 HIS HB3 H 1.881 0.020 1 929 107 107 HIS CA C 56.471 0.3 1 930 107 107 HIS CB C 26.740 0.3 1 931 107 107 HIS N N 118.439 0.3 1 932 108 108 VAL H H 7.610 0.020 1 933 108 108 VAL HA H 3.413 0.020 1 934 108 108 VAL HB H 1.901 0.020 1 935 108 108 VAL HG1 H 0.724 0.020 1 936 108 108 VAL HG2 H 0.296 0.020 1 937 108 108 VAL CA C 64.050 0.3 1 938 108 108 VAL CB C 29.253 0.3 1 939 108 108 VAL CG1 C 20.476 0.3 1 940 108 108 VAL CG2 C 18.766 0.3 1 941 108 108 VAL N N 118.849 0.3 1 942 109 109 MET H H 8.054 0.020 1 943 109 109 MET HA H 3.899 0.020 1 944 109 109 MET HB2 H 1.761 0.020 1 945 109 109 MET HB3 H 1.761 0.020 1 946 109 109 MET HG2 H 2.166 0.020 1 947 109 109 MET HG3 H 2.166 0.020 1 948 109 109 MET CA C 55.798 0.3 1 949 109 109 MET CB C 27.394 0.3 1 950 109 109 MET CG C 31.080 0.3 1 951 109 109 MET N N 115.690 0.3 1 952 110 110 THR H H 8.433 0.020 1 953 110 110 THR HA H 3.794 0.020 1 954 110 110 THR HB H 4.156 0.020 1 955 110 110 THR HG2 H 1.112 0.020 1 956 110 110 THR CA C 63.728 0.3 1 957 110 110 THR CB C 65.930 0.3 1 958 110 110 THR CG2 C 18.818 0.3 1 959 110 110 THR N N 115.945 0.3 1 960 111 111 ASN H H 7.836 0.020 1 961 111 111 ASN HA H 4.267 0.020 1 962 111 111 ASN HB2 H 2.731 0.020 1 963 111 111 ASN HB3 H 2.827 0.020 2 964 111 111 ASN CA C 52.949 0.3 1 965 111 111 ASN CB C 34.964 0.3 1 966 111 111 ASN N N 123.336 0.3 1 967 112 112 LEU H H 7.643 0.020 1 968 112 112 LEU HA H 4.057 0.020 1 969 112 112 LEU HB2 H 1.697 0.020 2 970 112 112 LEU HB3 H 1.460 0.020 2 971 112 112 LEU HG H 1.572 0.020 1 972 112 112 LEU HD1 H 0.546 0.020 1 973 112 112 LEU CA C 52.802 0.3 1 974 112 112 LEU CB C 39.533 0.3 1 975 112 112 LEU CG C 23.541 0.3 1 976 112 112 LEU CD1 C 20.248 0.3 1 977 112 112 LEU N N 119.072 0.3 1 978 113 113 GLY H H 7.698 0.020 1 979 113 113 GLY HA2 H 3.597 0.020 1 980 113 113 GLY HA3 H 4.077 0.020 2 981 113 113 GLY CA C 42.636 0.3 1 982 113 113 GLY N N 106.862 0.3 1 983 114 114 GLU H H 7.841 0.020 1 984 114 114 GLU HA H 4.267 0.020 1 985 114 114 GLU HB2 H 1.756 0.020 1 986 114 114 GLU HB3 H 1.756 0.020 1 987 114 114 GLU HG2 H 1.927 0.020 1 988 114 114 GLU HG3 H 1.927 0.020 1 989 114 114 GLU CA C 51.859 0.3 1 990 114 114 GLU CB C 27.539 0.3 1 991 114 114 GLU CG C 31.651 0.3 1 992 114 114 GLU N N 120.273 0.3 1 993 115 115 LYS H H 8.336 0.020 1 994 115 115 LYS HA H 4.195 0.020 1 995 115 115 LYS HB2 H 1.769 0.020 1 996 115 115 LYS HB3 H 1.769 0.020 2 997 115 115 LYS HG2 H 1.342 0.020 1 998 115 115 LYS HG3 H 1.224 0.020 2 999 115 115 LYS HD2 H 1.491 0.020 1 1000 115 115 LYS HD3 H 1.491 0.020 1 1001 115 115 LYS HE2 H 2.805 0.020 1 1002 115 115 LYS HE3 H 2.805 0.020 1 1003 115 115 LYS CA C 53.105 0.3 1 1004 115 115 LYS CB C 29.481 0.3 1 1005 115 115 LYS CG C 21.714 0.3 1 1006 115 115 LYS CD C 26.283 0.3 1 1007 115 115 LYS CE C 39.304 0.3 1 1008 115 115 LYS N N 123.547 0.3 1 1009 116 116 LEU H H 7.937 0.020 1 1010 116 116 LEU HA H 4.445 0.020 1 1011 116 116 LEU HB2 H 1.534 0.020 1 1012 116 116 LEU HB3 H 1.534 0.020 1 1013 116 116 LEU HG H 1.513 0.020 1 1014 116 116 LEU HD1 H 0.632 0.020 1 1015 116 116 LEU HD2 H 0.632 0.020 1 1016 116 116 LEU CA C 51.438 0.3 1 1017 116 116 LEU CB C 42.168 0.3 1 1018 116 116 LEU CG C 23.770 0.3 1 1019 116 116 LEU CD1 C 20.800 0.3 1 1020 116 116 LEU N N 125.240 0.3 1 1021 117 117 THR H H 8.884 0.020 1 1022 117 117 THR HA H 4.280 0.020 1 1023 117 117 THR HB H 4.622 0.020 1 1024 117 117 THR HG2 H 1.164 0.020 1 1025 117 117 THR CA C 57.851 0.3 1 1026 117 117 THR CB C 68.352 0.3 1 1027 117 117 THR CG2 C 18.876 0.3 1 1028 117 117 THR N N 113.274 0.3 1 1029 118 118 ASP H H 8.694 0.020 1 1030 118 118 ASP HA H 4.037 0.020 1 1031 118 118 ASP HB2 H 2.519 0.020 1 1032 118 118 ASP HB3 H 2.519 0.020 1 1033 118 118 ASP CA C 55.259 0.3 1 1034 118 118 ASP CB C 37.114 0.3 1 1035 118 118 ASP N N 120.555 0.3 1 1036 119 119 GLU H H 8.492 0.020 1 1037 119 119 GLU HA H 3.927 0.020 1 1038 119 119 GLU HB2 H 1.759 0.020 2 1039 119 119 GLU HB3 H 1.876 0.020 2 1040 119 119 GLU HG2 H 2.157 0.020 1 1041 119 119 GLU HG3 H 2.157 0.020 1 1042 119 119 GLU CA C 55.091 0.3 1 1043 119 119 GLU CB C 27.202 0.3 1 1044 119 119 GLU CG C 33.358 0.3 1 1045 119 119 GLU N N 119.030 0.3 1 1046 120 120 GLU H H 7.769 0.020 1 1047 120 120 GLU HA H 3.886 0.020 1 1048 120 120 GLU HB2 H 1.900 0.020 2 1049 120 120 GLU HB3 H 1.761 0.020 2 1050 120 120 GLU HG2 H 2.157 0.020 1 1051 120 120 GLU HG3 H 2.157 0.020 1 1052 120 120 GLU CA C 56.438 0.3 1 1053 120 120 GLU CB C 27.197 0.3 1 1054 120 120 GLU CG C 33.358 0.3 1 1055 120 120 GLU N N 119.017 0.3 1 1056 121 121 VAL H H 7.927 0.020 1 1057 121 121 VAL HA H 3.498 0.020 1 1058 121 121 VAL HB H 2.032 0.020 1 1059 121 121 VAL HG1 H 0.822 0.020 1 1060 121 121 VAL HG2 H 0.980 0.020 1 1061 121 121 VAL CA C 63.944 0.3 1 1062 121 121 VAL CB C 28.567 0.3 1 1063 121 121 VAL CG1 C 20.343 0.3 1 1064 121 121 VAL CG2 C 18.744 0.3 1 1065 121 121 VAL N N 120.488 0.3 1 1066 122 122 ASP H H 7.923 0.020 1 1067 122 122 ASP HA H 3.939 0.020 1 1068 122 122 ASP HB2 H 1.887 0.020 2 1069 122 122 ASP HB3 H 2.801 0.020 2 1070 122 122 ASP CA C 53.776 0.3 1 1071 122 122 ASP CB C 39.172 0.3 1 1072 122 122 ASP N N 120.148 0.3 1 1073 123 123 GLU H H 8.175 0.020 1 1074 123 123 GLU HA H 3.877 0.020 1 1075 123 123 GLU HB2 H 1.896 0.020 1 1076 123 123 GLU HB3 H 1.896 0.020 1 1077 123 123 GLU HG2 H 2.164 0.020 1 1078 123 123 GLU HG3 H 2.164 0.020 1 1079 123 123 GLU CA C 56.746 0.3 1 1080 123 123 GLU CB C 26.361 0.3 1 1081 123 123 GLU CG C 33.595 0.3 1 1082 123 123 GLU N N 122.029 0.3 1 1083 124 124 MET H H 7.841 0.020 1 1084 124 124 MET HA H 3.638 0.020 1 1085 124 124 MET HB2 H 2.164 0.020 1 1086 124 124 MET HB3 H 2.164 0.020 1 1087 124 124 MET HG2 H 2.260 0.020 1 1088 124 124 MET HG3 H 2.260 0.020 1 1089 124 124 MET CA C 56.438 0.3 1 1090 124 124 MET CB C 30.973 0.3 1 1091 124 124 MET CG C 31.446 0.3 1 1092 124 124 MET N N 118.200 0.3 1 1093 125 125 ILE H H 7.699 0.020 1 1094 125 125 ILE HA H 3.360 0.020 1 1095 125 125 ILE HB H 1.867 0.020 1 1096 125 125 ILE HG12 H 1.465 0.020 1 1097 125 125 ILE HG13 H 1.465 0.020 1 1098 125 125 ILE HG2 H 0.633 0.020 1 1099 125 125 ILE HD1 H 0.556 0.020 1 1100 125 125 ILE CA C 61.816 0.3 1 1101 125 125 ILE CB C 34.363 0.3 1 1102 125 125 ILE CG1 C 26.401 0.3 1 1103 125 125 ILE CG2 C 14.023 0.3 1 1104 125 125 ILE CD1 C 9.372 0.3 1 1105 125 125 ILE N N 118.392 0.3 1 1106 126 126 ARG H H 8.006 0.020 1 1107 126 126 ARG HA H 3.854 0.020 1 1108 126 126 ARG HB2 H 2.174 0.020 1 1109 126 126 ARG HB3 H 2.174 0.020 1 1110 126 126 ARG HG2 H 1.877 0.020 1 1111 126 126 ARG HG3 H 1.877 0.020 1 1112 126 126 ARG CA C 56.741 0.3 1 1113 126 126 ARG CB C 27.426 0.3 1 1114 126 126 ARG CG C 25.770 0.3 1 1115 126 126 ARG N N 119.829 0.3 1 1116 127 127 GLU H H 7.792 0.020 1 1117 127 127 GLU HA H 3.937 0.020 1 1118 127 127 GLU HB2 H 1.692 0.020 1 1119 127 127 GLU HB3 H 1.692 0.020 1 1120 127 127 GLU HG2 H 2.17 0.020 1 1121 127 127 GLU HG3 H 2.17 0.020 1 1122 127 127 GLU CA C 55.529 0.3 1 1123 127 127 GLU CB C 26.94 0.3 1 1124 127 127 GLU CG C 33.66 0.3 1 1125 127 127 GLU N N 116.582 0.3 1 1126 128 128 ALA H H 7.119 0.020 1 1127 128 128 ALA HA H 3.917 0.020 1 1128 128 128 ALA HB H 1.336 0.020 1 1129 128 128 ALA CA C 49.436 0.3 1 1130 128 128 ALA CB C 18.229 0.3 1 1131 128 128 ALA N N 119.373 0.3 1 1132 129 129 ALA H H 7.502 0.020 1 1133 129 129 ALA HA H 4.141 0.020 1 1134 129 129 ALA HB H 1.231 0.020 1 1135 129 129 ALA CA C 49.756 0.3 1 1136 129 129 ALA CB C 16.625 0.3 1 1137 129 129 ALA N N 120.476 0.3 1 1138 130 130 ILE H H 8.071 0.020 1 1139 130 130 ILE HA H 3.925 0.020 1 1140 130 130 ILE HB H 1.676 0.020 1 1141 130 130 ILE HG12 H 1.274 0.020 1 1142 130 130 ILE HG13 H 1.274 0.020 1 1143 130 130 ILE HG2 H 0.681 0.020 1 1144 130 130 ILE HD1 H 0.662 0.020 1 1145 130 130 ILE CA C 58.238 0.3 1 1146 130 130 ILE CB C 36.019 0.3 1 1147 130 130 ILE CG1 C 24.509 0.3 1 1148 130 130 ILE CG2 C 14.654 0.3 1 1149 130 130 ILE CD1 C 10.239 0.3 1 1150 130 130 ILE N N 123.246 0.3 1 1151 131 131 ASP H H 8.251 0.020 1 1152 131 131 ASP HA H 4.411 0.020 1 1153 131 131 ASP HB2 H 2.482 0.020 1 1154 131 131 ASP HB3 H 2.482 0.020 1 1155 131 131 ASP CA C 49.974 0.3 1 1156 131 131 ASP CB C 37.622 0.3 1 1157 131 131 ASP N N 122.430 0.3 1 1158 132 132 GLY H H 7.873 0.020 1 1159 132 132 GLY HA2 H 3.774 0.020 1 1160 132 132 GLY HA3 H 3.774 0.020 1 1161 132 132 GLY CA C 43.579 0.3 1 1162 132 132 GLY N N 106.400 0.3 1 1163 133 133 ASP H H 7.603 0.020 1 1164 133 133 ASP HA H 4.438 0.020 1 1165 133 133 ASP HB2 H 2.801 0.020 1 1166 133 133 ASP HB3 H 2.801 0.020 1 1167 133 133 ASP CA C 50.311 0.3 1 1168 133 133 ASP CB C 38.143 0.3 1 1169 133 133 ASP N N 118.443 0.3 1 1170 134 134 GLY H H 8.319 0.020 1 1171 134 134 GLY HA2 H 3.748 0.020 1 1172 134 134 GLY HA3 H 3.748 0.020 1 1173 134 134 GLY CA C 43.141 0.3 1 1174 134 134 GLY N N 107.316 0.3 1 1175 135 135 GLN H H 7.559 0.020 1 1176 135 135 GLN HA H 4.684 0.020 1 1177 135 135 GLN HB2 H 1.679 0.020 1 1178 135 135 GLN HB3 H 1.679 0.020 1 1179 135 135 GLN HG2 H 1.879 0.020 1 1180 135 135 GLN HG3 H 1.879 0.020 1 1181 135 135 GLN CA C 50.951 0.3 1 1182 135 135 GLN CB C 27.118 0.3 1 1183 135 135 GLN CG C 30.394 0.3 1 1184 135 135 GLN N N 116.214 0.3 1 1185 136 136 VAL H H 9.106 0.020 1 1186 136 136 VAL HA H 3.985 0.020 1 1187 136 136 VAL HB H 1.914 0.020 1 1188 136 136 VAL HG1 H 0.947 0.020 1 1189 136 136 VAL HG2 H 0.895 0.020 1 1190 136 136 VAL CA C 58.794 0.3 1 1191 136 136 VAL CB C 30.374 0.3 1 1192 136 136 VAL CG1 C 20.134 0.3 1 1193 136 136 VAL CG2 C 19.792 0.3 1 1194 136 136 VAL N N 125.848 0.3 1 1195 137 137 ASN H H 9.112 0.020 1 1196 137 137 ASN HA H 5.017 0.020 1 1197 137 137 ASN HB2 H 2.597 0.020 1 1198 137 137 ASN HB3 H 2.321 0.020 2 1199 137 137 ASN CA C 48.776 0.3 1 1200 137 137 ASN CB C 36.428 0.3 1 1201 137 137 ASN N N 127.154 0.3 1 1202 138 138 TYR H H 8.347 0.020 1 1203 138 138 TYR HA H 3.163 0.020 1 1204 138 138 TYR HB2 H 2.183 0.020 2 1205 138 138 TYR HB3 H 2.321 0.020 2 1206 138 138 TYR CA C 59.703 0.3 1 1207 138 138 TYR CB C 36.335 0.3 1 1208 138 138 TYR N N 118.958 0.3 1 1209 139 139 GLU H H 8.110 0.020 1 1210 139 139 GLU HA H 3.838 0.020 1 1211 139 139 GLU HB2 H 1.876 0.020 1 1212 139 139 GLU HB3 H 1.876 0.020 1 1213 139 139 GLU HG2 H 2.177 0.020 1 1214 139 139 GLU HG3 H 2.177 0.020 1 1215 139 139 GLU CA C 57.649 0.3 1 1216 139 139 GLU CB C 25.940 0.3 1 1217 139 139 GLU CG C 33.250 0.3 1 1218 139 139 GLU N N 118.008 0.3 1 1219 140 140 GLU H H 8.237 0.020 1 1220 140 140 GLU HA H 3.649 0.020 1 1221 140 140 GLU HB2 H 2.262 0.020 1 1222 140 140 GLU HB3 H 2.262 0.020 1 1223 140 140 GLU C C 173.466 0.3 1 1224 140 140 GLU CA C 56.101 0.3 1 1225 140 140 GLU CB C 31.534 0.3 1 1226 140 140 GLU N N 119.410 0.3 1 1227 141 141 PHE H H 8.313 0.020 1 1228 141 141 PHE HA H 3.781 0.020 1 1229 141 141 PHE HB2 H 2.834 0.020 1 1230 141 141 PHE HB3 H 2.834 0.020 1 1231 141 141 PHE CA C 59.097 0.3 1 1232 141 141 PHE CB C 37.571 0.3 1 1233 141 141 PHE N N 123.172 0.3 1 1234 142 142 VAL H H 8.340 0.020 1 1235 142 142 VAL HA H 3.038 0.020 1 1236 142 142 VAL HB H 1.644 0.020 1 1237 142 142 VAL HG1 H 0.349 0.020 1 1238 142 142 VAL HG2 H 0.592 0.020 1 1239 142 142 VAL CA C 64.214 0.3 1 1240 142 142 VAL CB C 28.766 0.3 1 1241 142 142 VAL CG1 C 20.305 0.3 1 1242 142 142 VAL CG2 C 18.589 0.3 1 1243 142 142 VAL N N 118.252 0.3 1 1244 143 143 GLN H H 7.634 0.020 1 1245 143 143 GLN HA H 3.636 0.020 1 1246 143 143 GLN HB2 H 1.953 0.020 1 1247 143 143 GLN HB3 H 1.953 0.020 1 1248 143 143 GLN HG2 H 2.157 0.020 1 1249 143 143 GLN HG3 H 2.157 0.020 1 1250 143 143 GLN CA C 56.337 0.3 1 1251 143 143 GLN CB C 25.336 0.3 1 1252 143 143 GLN CG C 31.511 0.3 1 1253 143 143 GLN N N 119.499 0.3 1 1254 144 144 MET H H 7.605 0.020 1 1255 144 144 MET HA H 3.662 0.020 1 1256 144 144 MET HB2 H 2.256 0.020 1 1257 144 144 MET HB3 H 2.256 0.020 1 1258 144 144 MET HG2 H 2.288 0.020 1 1259 144 144 MET HG3 H 2.288 0.020 1 1260 144 144 MET CA C 55.764 0.3 1 1261 144 144 MET CB C 30.736 0.3 1 1262 144 144 MET CG C 31.534 0.3 1 1263 144 144 MET N N 117.280 0.3 1 1264 145 145 MET H H 7.467 0.020 1 1265 145 145 MET HA H 4.004 0.020 1 1266 145 145 MET HB2 H 2.032 0.020 1 1267 145 145 MET HB3 H 2.032 0.020 1 1268 145 145 MET HG2 H 1.907 0.020 1 1269 145 145 MET HG3 H 1.907 0.020 1 1270 145 145 MET CA C 53.408 0.3 1 1271 145 145 MET CB C 29.253 0.3 1 1272 145 145 MET CG C 30.052 0.3 1 1273 145 145 MET N N 114.953 0.3 1 1274 146 146 THR H H 7.465 0.020 1 1275 146 146 THR HA H 4.156 0.020 1 1276 146 146 THR HB H 4.096 0.020 1 1277 146 146 THR HG2 H 0.984 0.020 1 1278 146 146 THR CA C 59.097 0.3 1 1279 146 146 THR CB C 67.755 0.3 1 1280 146 146 THR CG2 C 18.401 0.3 1 1281 146 146 THR N N 107.746 0.3 1 1282 147 147 ALA H H 7.656 0.020 1 1283 147 147 ALA HA H 4.123 0.020 1 1284 147 147 ALA HB H 1.230 0.020 1 1285 147 147 ALA CA C 50.109 0.3 1 1286 147 147 ALA CB C 16.437 0.3 1 1287 147 147 ALA N N 126.366 0.3 1 1288 148 148 LYS H H 7.758 0.020 1 1289 148 148 LYS HA H 3.945 0.020 1 1290 148 148 LYS HB2 H 1.493 0.020 1 1291 148 148 LYS HB3 H 1.493 0.020 1 1292 148 148 LYS HG2 H 1.217 0.020 1 1293 148 148 LYS HG3 H 1.217 0.020 1 1294 148 148 LYS HD2 H 1.624 0.020 1 1295 148 148 LYS HD3 H 1.624 0.020 1 1296 148 148 LYS HE2 H 2.816 0.020 1 1297 148 148 LYS HE3 H 2.816 0.020 1 1298 148 148 LYS CA C 54.753 0.3 1 1299 148 148 LYS CB C 26.283 0.3 1 1300 148 148 LYS CG C 21.828 0.3 1 1301 148 148 LYS CD C 30.852 0.3 1 1302 148 148 LYS CE C 39.419 0.3 1 1303 148 148 LYS N N 125.937 0.3 1 stop_ save_