data_25995 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Protein complex ; _BMRB_accession_number 25995 _BMRB_flat_file_name bmr25995.str _Entry_type original _Submission_date 2016-03-12 _Accession_date 2016-03-22 _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 Chen Xiang . . 2 Walters Kylie J . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 778 "13C chemical shifts" 581 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-13 update BMRB 'update entry citation' 2016-07-18 original author 'original release' stop_ _Original_release_date 2016-07-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27396824 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiang . . 2 Randles Leah . . 3 Shi Ke . . 4 Tarasov Sergey G. . 5 Aihara Hideki . . 6 Walters Kylie J. . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1257 _Page_last 1270 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human Rpn13 Pru domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MTTSGALFPSLVPGSRGASN KYLVEFRAGKMSLKGTTVTP DKRKGLVYIQQTDDSLIHFC WKDRTSGNVEDDLIIFPDDC EFKRVPQCPSGRVYVLKFKA GSKRLFFWMQEPKTDQDEEH CRKVNEYLNNPPMPGALGAS GSSGHELSAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 THR 3 3 THR 4 4 SER 5 5 GLY 6 6 ALA 7 7 LEU 8 8 PHE 9 9 PRO 10 10 SER 11 11 LEU 12 12 VAL 13 13 PRO 14 14 GLY 15 15 SER 16 16 ARG 17 17 GLY 18 18 ALA 19 19 SER 20 20 ASN 21 21 LYS 22 22 TYR 23 23 LEU 24 24 VAL 25 25 GLU 26 26 PHE 27 27 ARG 28 28 ALA 29 29 GLY 30 30 LYS 31 31 MET 32 32 SER 33 33 LEU 34 34 LYS 35 35 GLY 36 36 THR 37 37 THR 38 38 VAL 39 39 THR 40 40 PRO 41 41 ASP 42 42 LYS 43 43 ARG 44 44 LYS 45 45 GLY 46 46 LEU 47 47 VAL 48 48 TYR 49 49 ILE 50 50 GLN 51 51 GLN 52 52 THR 53 53 ASP 54 54 ASP 55 55 SER 56 56 LEU 57 57 ILE 58 58 HIS 59 59 PHE 60 60 CYS 61 61 TRP 62 62 LYS 63 63 ASP 64 64 ARG 65 65 THR 66 66 SER 67 67 GLY 68 68 ASN 69 69 VAL 70 70 GLU 71 71 ASP 72 72 ASP 73 73 LEU 74 74 ILE 75 75 ILE 76 76 PHE 77 77 PRO 78 78 ASP 79 79 ASP 80 80 CYS 81 81 GLU 82 82 PHE 83 83 LYS 84 84 ARG 85 85 VAL 86 86 PRO 87 87 GLN 88 88 CYS 89 89 PRO 90 90 SER 91 91 GLY 92 92 ARG 93 93 VAL 94 94 TYR 95 95 VAL 96 96 LEU 97 97 LYS 98 98 PHE 99 99 LYS 100 100 ALA 101 101 GLY 102 102 SER 103 103 LYS 104 104 ARG 105 105 LEU 106 106 PHE 107 107 PHE 108 108 TRP 109 109 MET 110 110 GLN 111 111 GLU 112 112 PRO 113 113 LYS 114 114 THR 115 115 ASP 116 116 GLN 117 117 ASP 118 118 GLU 119 119 GLU 120 120 HIS 121 121 CYS 122 122 ARG 123 123 LYS 124 124 VAL 125 125 ASN 126 126 GLU 127 127 TYR 128 128 LEU 129 129 ASN 130 130 ASN 131 131 PRO 132 132 PRO 133 133 MET 134 134 PRO 135 135 GLY 136 136 ALA 137 137 LEU 138 138 GLY 139 139 ALA 140 140 SER 141 141 GLY 142 142 SER 143 143 SER 144 144 GLY 145 145 HIS 146 146 GLU 147 147 LEU 148 148 SER 149 149 ALA 150 150 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 8764.290 _Mol_thiol_state 'all free' _Details . _Residue_count 78 _Mol_residue_sequence ; APAEPKIIKVTVKTPKEKEE FAVPENSSVQQFKEAISKRF KSQTDQLVLIFAGKILKDQD TLIQHGIHDGLTVHLVIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 ALA 2 27 PRO 3 28 ALA 4 29 GLU 5 30 PRO 6 31 LYS 7 32 ILE 8 33 ILE 9 34 LYS 10 35 VAL 11 36 THR 12 37 VAL 13 38 LYS 14 39 THR 15 40 PRO 16 41 LYS 17 42 GLU 18 43 LYS 19 44 GLU 20 45 GLU 21 46 PHE 22 47 ALA 23 48 VAL 24 49 PRO 25 50 GLU 26 51 ASN 27 52 SER 28 53 SER 29 54 VAL 30 55 GLN 31 56 GLN 32 57 PHE 33 58 LYS 34 59 GLU 35 60 ALA 36 61 ILE 37 62 SER 38 63 LYS 39 64 ARG 40 65 PHE 41 66 LYS 42 67 SER 43 68 GLN 44 69 THR 45 70 ASP 46 71 GLN 47 72 LEU 48 73 VAL 49 74 LEU 50 75 ILE 51 76 PHE 52 77 ALA 53 78 GLY 54 79 LYS 55 80 ILE 56 81 LEU 57 82 LYS 58 83 ASP 59 84 GLN 60 85 ASP 61 86 THR 62 87 LEU 63 88 ILE 64 89 GLN 65 90 HIS 66 91 GLY 67 92 ILE 68 93 HIS 69 94 ASP 70 95 GLY 71 96 LEU 72 97 THR 73 98 VAL 74 99 HIS 75 100 LEU 76 101 VAL 77 102 ILE 78 103 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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 $entity_1 'recombinant technology' . Escherichia coli . pRSET $entity_2 'recombinant technology' . Escherichia coli . pGEX4T1 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 $entity_1 0.7 mM '[U-100% 13C; U-100% 15N; U-70% 2H]' $entity_2 0.7 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-100% 15N]' $entity_2 0.7 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-100% 13C]' $entity_2 0.7 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 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' 50 . mM 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 $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _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 1 MET H H 8.486 0.003 1 2 1 1 MET HA H 4.581 0.002 1 3 1 1 MET HB2 H 2.032 0.005 2 4 1 1 MET HB3 H 2.125 0.003 2 5 1 1 MET HG2 H 2.606 0.006 2 6 1 1 MET HG3 H 2.549 0.005 2 7 1 1 MET HE H 2.077 0 1 8 1 1 MET C C 172.233 0.003 1 9 1 1 MET CA C 55.353 0.093 1 10 1 1 MET CB C 32.452 0.114 1 11 1 1 MET CG C 31.572 0.014 1 12 1 1 MET CE C 16.495 0 1 13 1 1 MET N N 122.158 0.067 1 14 2 2 THR H H 8.222 0.002 1 15 2 2 THR HA H 4.431 0.006 1 16 2 2 THR HB H 4.253 0.005 1 17 2 2 THR HG2 H 1.198 0 1 18 2 2 THR C C 173.871 0.003 1 19 2 2 THR CA C 61.475 0.189 1 20 2 2 THR CB C 69.536 0.108 1 21 2 2 THR CG2 C 21.14 0.082 1 22 2 2 THR N N 115.148 0.082 1 23 3 3 THR H H 8.186 0.002 1 24 3 3 THR HA H 4.402 0.003 1 25 3 3 THR HB H 4.268 0.007 1 26 3 3 THR HG2 H 1.195 0.001 1 27 3 3 THR C C 174.005 0.016 1 28 3 3 THR CA C 61.573 0.133 1 29 3 3 THR CB C 69.456 0.073 1 30 3 3 THR CG2 C 21.141 0.065 1 31 3 3 THR N N 115.813 0.053 1 32 4 4 SER H H 8.325 0.004 1 33 4 4 SER HA H 4.456 0.005 1 34 4 4 SER HB2 H 3.882 0.006 2 35 4 4 SER HB3 H 3.882 0.006 2 36 4 4 SER C C 173.695 0.004 1 37 4 4 SER CA C 58.346 0.104 1 38 4 4 SER CB C 63.576 0.131 1 39 4 4 SER N N 117.789 0.044 1 40 5 5 GLY H H 8.381 0.006 1 41 5 5 GLY HA2 H 3.95 0.008 2 42 5 5 GLY HA3 H 3.95 0.008 2 43 5 5 GLY C C 175.042 0.029 1 44 5 5 GLY CA C 45.054 0.104 1 45 5 5 GLY N N 110.937 0.068 1 46 6 6 ALA H H 8.049 0.003 1 47 6 6 ALA HA H 4.257 0.015 1 48 6 6 ALA HB H 1.293 0.001 1 49 6 6 ALA C C 171.374 0.015 1 50 6 6 ALA CA C 52.025 0.093 1 51 6 6 ALA CB C 19.029 0.096 1 52 6 6 ALA N N 123.36 0.057 1 53 7 7 LEU H H 8.062 0.003 1 54 7 7 LEU HA H 4.225 0.004 1 55 7 7 LEU HB2 H 1.347 0.006 2 56 7 7 LEU HB3 H 1.485 0.004 2 57 7 7 LEU HG H 1.479 0.002 1 58 7 7 LEU HD1 H 0.858 0.001 2 59 7 7 LEU HD2 H 0.792 0.002 2 60 7 7 LEU C C 172.091 0.002 1 61 7 7 LEU CA C 54.718 0.044 1 62 7 7 LEU CB C 42.129 0.033 1 63 7 7 LEU CG C 26.528 0.03 1 64 7 7 LEU CD1 C 24.289 0.018 2 65 7 7 LEU CD2 C 23.024 0.028 2 66 7 7 LEU N N 120.798 0.043 1 67 8 8 PHE H H 8.08 0.004 1 68 8 8 PHE HA H 4.874 0.001 1 69 8 8 PHE HB2 H 2.903 0.003 2 70 8 8 PHE HB3 H 3.144 0.005 2 71 8 8 PHE C C 174.864 0 1 72 8 8 PHE CA C 55.081 0.055 1 73 8 8 PHE CB C 38.727 0.032 1 74 8 8 PHE N N 120.71 0.053 1 75 9 9 PRO HA H 4.417 0.004 1 76 9 9 PRO HB2 H 1.913 0.002 2 77 9 9 PRO HB3 H 2.262 0.007 2 78 9 9 PRO HG2 H 1.971 0.001 2 79 9 9 PRO HG3 H 1.971 0.001 2 80 9 9 PRO HD2 H 3.7 0.004 2 81 9 9 PRO HD3 H 3.564 0.003 2 82 9 9 PRO C C 171.923 0.003 1 83 9 9 PRO CA C 63.006 0.057 1 84 9 9 PRO CB C 31.631 0.058 1 85 9 9 PRO CG C 26.911 0.024 1 86 9 9 PRO CD C 50.206 0.048 1 87 10 10 SER H H 8.278 0.003 1 88 10 10 SER HA H 4.425 0.006 1 89 10 10 SER HB2 H 3.848 0.002 2 90 10 10 SER HB3 H 3.848 0.002 2 91 10 10 SER C C 174.284 0.003 1 92 10 10 SER CA C 58.052 0.025 1 93 10 10 SER CB C 63.605 0 1 94 10 10 SER N N 115.408 0.057 1 95 11 11 LEU H H 8.244 0.002 1 96 11 11 LEU HA H 4.382 0.002 1 97 11 11 LEU HB2 H 1.585 0.01 2 98 11 11 LEU HB3 H 1.585 0.01 2 99 11 11 LEU HG H 1.587 0 1 100 11 11 LEU HD1 H 0.887 0.002 2 101 11 11 LEU HD2 H 0.835 0 2 102 11 11 LEU C C 171.699 0.002 1 103 11 11 LEU CA C 54.708 0.057 1 104 11 11 LEU CB C 41.986 0.093 1 105 11 11 LEU CG C 26.708 0.145 1 106 11 11 LEU CD1 C 24.449 0.051 2 107 11 11 LEU CD2 C 23.02 0.001 2 108 11 11 LEU N N 124.082 0.052 1 109 12 12 VAL H H 8.116 0.003 1 110 12 12 VAL HA H 4.366 0.002 1 111 12 12 VAL HB H 2.042 0.003 1 112 12 12 VAL HG1 H 0.931 0.007 2 113 12 12 VAL C C 174.155 0 1 114 12 12 VAL CA C 59.551 0.046 1 115 12 12 VAL CB C 32.071 0.077 1 116 12 12 VAL CG1 C 20.46 0.059 2 117 12 12 VAL N N 122.627 0.056 1 118 13 13 PRO HA H 4.478 0.002 1 119 13 13 PRO HB2 H 2.004 0.008 2 120 13 13 PRO HB3 H 2.305 0.005 2 121 13 13 PRO HG2 H 2.037 0.003 2 122 13 13 PRO HG3 H 2.037 0.003 2 123 13 13 PRO HD2 H 3.601 0.002 2 124 13 13 PRO HD3 H 3.569 0.003 2 125 13 13 PRO C C 171.233 0.002 1 126 13 13 PRO CA C 63.112 0.07 1 127 13 13 PRO CB C 31.709 0.062 1 128 13 13 PRO CG C 26.659 0.037 1 129 13 13 PRO CD C 49.22 0.039 1 130 14 14 GLY H H 8.613 0.004 1 131 14 14 GLY HA2 H 3.979 0.018 2 132 14 14 GLY HA3 H 3.979 0.018 2 133 14 14 GLY C C 174.369 0.092 1 134 14 14 GLY CA C 45.013 0.036 1 135 14 14 GLY N N 109.825 0.043 1 136 15 15 SER H H 8.136 0.002 1 137 15 15 SER HA H 4.417 0.007 1 138 15 15 SER HB2 H 3.86 0.002 2 139 15 15 SER HB3 H 3.86 0.002 2 140 15 15 SER C C 173.885 0.008 1 141 15 15 SER CA C 58.234 0.034 1 142 15 15 SER CB C 63.803 0.011 1 143 15 15 SER N N 115.443 0.073 1 144 16 16 ARG H H 8.455 0.003 1 145 16 16 ARG HA H 4.334 0.002 1 146 16 16 ARG HB2 H 1.748 0.002 2 147 16 16 ARG HB3 H 1.868 0.003 2 148 16 16 ARG HG2 H 1.613 0.008 2 149 16 16 ARG HG3 H 1.613 0.008 2 150 16 16 ARG HD2 H 3.159 0.002 2 151 16 16 ARG HD3 H 3.159 0.002 2 152 16 16 ARG C C 171.905 0.007 1 153 16 16 ARG CA C 55.989 0.06 1 154 16 16 ARG CB C 30.165 0.044 1 155 16 16 ARG CG C 26.645 0.042 1 156 16 16 ARG CD C 42.898 0.031 1 157 16 16 ARG N N 122.76 0.046 1 158 17 17 GLY H H 8.353 0.004 1 159 17 17 GLY HA2 H 3.905 0 2 160 17 17 GLY HA3 H 3.905 0 2 161 17 17 GLY C C 174.904 0.023 1 162 17 17 GLY CA C 44.957 0.069 1 163 17 17 GLY N N 109.771 0.057 1 164 18 18 ALA H H 8.151 0.004 1 165 18 18 ALA HA H 4.298 0.007 1 166 18 18 ALA HB H 1.334 0.001 1 167 18 18 ALA C C 170.856 0.028 1 168 18 18 ALA CA C 52.155 0.061 1 169 18 18 ALA CB C 19.008 0.033 1 170 18 18 ALA N N 123.733 0.06 1 171 19 19 SER H H 8.275 0.002 1 172 19 19 SER HA H 4.328 0.003 1 173 19 19 SER HB2 H 3.773 0.004 2 174 19 19 SER HB3 H 3.773 0.004 2 175 19 19 SER C C 174.568 0.003 1 176 19 19 SER CA C 58.011 0.055 1 177 19 19 SER CB C 63.499 0.129 1 178 19 19 SER N N 114.784 0.057 1 179 20 20 ASN H H 8.173 0.002 1 180 20 20 ASN HA H 4.511 0.001 1 181 20 20 ASN HB2 H 2.498 0.002 2 182 20 20 ASN HB3 H 2.498 0.002 2 183 20 20 ASN HD21 H 6.801 0.004 2 184 20 20 ASN HD22 H 7.403 0.002 2 185 20 20 ASN C C 174.38 0.004 1 186 20 20 ASN CA C 52.705 0.065 1 187 20 20 ASN CB C 38.392 0.039 1 188 20 20 ASN N N 120.36 0.041 1 189 20 20 ASN ND2 N 112.498 0.106 1 190 21 21 LYS H H 7.99 0.002 1 191 21 21 LYS HA H 4.048 0.002 1 192 21 21 LYS HB2 H 1.474 0.003 2 193 21 21 LYS HB3 H 1.585 0.003 2 194 21 21 LYS HG2 H 1.158 0.003 2 195 21 21 LYS HG3 H 1.158 0.003 2 196 21 21 LYS HD2 H 1.507 0.001 2 197 21 21 LYS HD3 H 1.507 0.001 2 198 21 21 LYS HE2 H 2.861 0.001 2 199 21 21 LYS HE3 H 2.861 0.001 2 200 21 21 LYS C C 172.86 0.005 1 201 21 21 LYS CA C 55.569 0.045 1 202 21 21 LYS CB C 32.479 0.055 1 203 21 21 LYS CG C 23.926 0.026 1 204 21 21 LYS CD C 28.497 0.032 1 205 21 21 LYS CE C 41.603 0 1 206 21 21 LYS N N 120.793 0.058 1 207 22 22 TYR H H 8.167 0.004 1 208 22 22 TYR HA H 4.917 0.003 1 209 22 22 TYR HB2 H 2.62 0.002 2 210 22 22 TYR HB3 H 3.099 0 2 211 22 22 TYR C C 172.329 0.016 1 212 22 22 TYR CA C 54.594 0.077 1 213 22 22 TYR CB C 37.194 0.008 1 214 22 22 TYR N N 122.247 0.048 1 215 23 23 LEU H H 8.62 0.006 1 216 23 23 LEU HA H 3.932 0.003 1 217 23 23 LEU HB2 H 0.449 0.008 2 218 23 23 LEU HB3 H 1.023 0.006 2 219 23 23 LEU HG H 1.597 0.003 1 220 23 23 LEU HD1 H 0.635 0.002 2 221 23 23 LEU HD2 H 0.565 0.001 2 222 23 23 LEU C C 171.777 0.019 1 223 23 23 LEU CA C 56.758 0.05 1 224 23 23 LEU CB C 40.819 0.157 1 225 23 23 LEU CG C 26.282 0 1 226 23 23 LEU CD1 C 21.753 0.052 2 227 23 23 LEU CD2 C 25.201 0.037 2 228 23 23 LEU N N 123.244 0.047 1 229 24 24 VAL H H 7.068 0.006 1 230 24 24 VAL HA H 4.365 0.003 1 231 24 24 VAL HB H 2.083 0.005 1 232 24 24 VAL HG1 H 1.095 0.002 2 233 24 24 VAL HG2 H 0.862 0.002 2 234 24 24 VAL C C 176.66 0.008 1 235 24 24 VAL CA C 60.016 0.083 1 236 24 24 VAL CB C 34.361 0.119 1 237 24 24 VAL CG1 C 22.152 0.042 2 238 24 24 VAL CG2 C 19.959 0.045 2 239 24 24 VAL N N 112.394 0.042 1 240 25 25 GLU H H 8.125 0.003 1 241 25 25 GLU HA H 5.291 0.004 1 242 25 25 GLU HB2 H 1.804 0.003 2 243 25 25 GLU HB3 H 1.929 0.002 2 244 25 25 GLU HG2 H 2.028 0.002 2 245 25 25 GLU HG3 H 1.923 0.005 2 246 25 25 GLU C C 174.542 0.02 1 247 25 25 GLU CA C 54.314 0.075 1 248 25 25 GLU CB C 32.799 0.075 1 249 25 25 GLU CG C 35.102 0.05 1 250 25 25 GLU N N 123.276 0.071 1 251 26 26 PHE H H 8.358 0.002 1 252 26 26 PHE HA H 4.563 0.006 1 253 26 26 PHE HB2 H 2.279 0 2 254 26 26 PHE HB3 H 2.439 0 2 255 26 26 PHE C C 175.569 0 1 256 26 26 PHE CA C 55.958 0.037 1 257 26 26 PHE CB C 38.235 0.055 1 258 26 26 PHE N N 115.635 0.051 1 259 27 27 ARG H H 9.963 0.014 1 260 27 27 ARG C C 172.519 0.005 1 261 27 27 ARG CA C 56.365 0.033 1 262 27 27 ARG CB C 30.11 0.025 1 263 27 27 ARG N N 120.935 0.036 1 264 28 28 ALA H H 7.934 0.002 1 265 28 28 ALA HA H 4.688 0.003 1 266 28 28 ALA HB H 1.562 0.001 1 267 28 28 ALA C C 172.812 0.013 1 268 28 28 ALA CA C 52.252 0.062 1 269 28 28 ALA CB C 21.898 0.036 1 270 28 28 ALA N N 126.264 0.021 1 271 29 29 GLY H H 8.87 0.003 1 272 29 29 GLY C C 174.984 0 1 273 29 29 GLY CA C 42.999 0.028 1 274 29 29 GLY N N 108.904 0.034 1 275 30 30 LYS H H 9.299 0.004 1 276 30 30 LYS HA H 4.694 0.003 1 277 30 30 LYS HB2 H 1.065 0 2 278 30 30 LYS HB3 H 1.288 0 2 279 30 30 LYS HG2 H -0.103 0.003 2 280 30 30 LYS HG3 H 0.493 0.01 2 281 30 30 LYS HD2 H 0.802 0.004 2 282 30 30 LYS HD3 H 0.694 0.004 2 283 30 30 LYS HE2 H 2.185 0.003 2 284 30 30 LYS HE3 H 1.835 0.003 2 285 30 30 LYS C C 172.133 0.014 1 286 30 30 LYS CA C 55.857 0.057 1 287 30 30 LYS CB C 33.53 0 1 288 30 30 LYS CG C 24.508 0.021 1 289 30 30 LYS CD C 28.427 0.015 1 290 30 30 LYS CE C 40.047 0.025 1 291 30 30 LYS N N 119.216 0.075 1 292 31 31 MET H H 7.38 0.003 1 293 31 31 MET HA H 4.944 0.004 1 294 31 31 MET HB2 H 1.668 0.006 2 295 31 31 MET HB3 H 1.822 0.003 2 296 31 31 MET HG2 H 2.21 0.005 2 297 31 31 MET HG3 H 2.263 0.004 2 298 31 31 MET HE H 1.597 0 1 299 31 31 MET C C 174.228 0.01 1 300 31 31 MET CA C 53.733 0.102 1 301 31 31 MET CB C 35.255 0.065 1 302 31 31 MET CG C 32.115 0.019 1 303 31 31 MET CE C 17.725 0 1 304 31 31 MET N N 115.539 0.044 1 305 32 32 SER H H 8.668 0.004 1 306 32 32 SER HA H 4.709 0.007 1 307 32 32 SER HB2 H 3.732 0.003 2 308 32 32 SER HB3 H 3.732 0.003 2 309 32 32 SER C C 176.197 0.019 1 310 32 32 SER CA C 56.609 0.059 1 311 32 32 SER CB C 64.77 0.1 1 312 32 32 SER N N 116.681 0.049 1 313 33 33 LEU H H 8.519 0.003 1 314 33 33 LEU HA H 4.625 0.003 1 315 33 33 LEU HB2 H 1.071 0.008 2 316 33 33 LEU HB3 H 1.472 0.005 2 317 33 33 LEU HG H 1.233 0.005 1 318 33 33 LEU HD1 H 0.689 0.003 2 319 33 33 LEU HD2 H 0.525 0.005 2 320 33 33 LEU C C 172.724 0.007 1 321 33 33 LEU CA C 54.165 0.061 1 322 33 33 LEU CB C 42.969 0.127 1 323 33 33 LEU CG C 27.171 0.029 1 324 33 33 LEU CD1 C 24.942 0.028 2 325 33 33 LEU CD2 C 23.67 0.031 2 326 33 33 LEU N N 126.101 0.045 1 327 34 34 LYS H H 8.314 0.002 1 328 34 34 LYS HA H 4.432 0.004 1 329 34 34 LYS HB2 H 1.602 0.004 2 330 34 34 LYS HB3 H 1.71 0.002 2 331 34 34 LYS HG2 H 1.332 0.004 2 332 34 34 LYS HG3 H 1.259 0.003 2 333 34 34 LYS HD2 H 1.638 0.003 2 334 34 34 LYS HD3 H 1.638 0.003 2 335 34 34 LYS HE2 H 2.934 0.001 2 336 34 34 LYS HE3 H 2.934 0.001 2 337 34 34 LYS C C 172.385 0.017 1 338 34 34 LYS CA C 55.093 0.06 1 339 34 34 LYS CB C 32.873 0.08 1 340 34 34 LYS CG C 24.154 0.03 1 341 34 34 LYS CD C 28.702 0.088 1 342 34 34 LYS CE C 41.675 0.048 1 343 34 34 LYS N N 127.511 0.045 1 344 35 35 GLY H H 8.919 0.013 1 345 35 35 GLY HA2 H 3.638 0 2 346 35 35 GLY HA3 H 4.13 0.001 2 347 35 35 GLY C C 174.126 0 1 348 35 35 GLY CA C 46.692 0.04 1 349 35 35 GLY N N 116.88 0.035 1 350 36 36 THR H H 8.677 0.003 1 351 36 36 THR HA H 4.311 0.005 1 352 36 36 THR HB H 4.511 0.004 1 353 36 36 THR HG2 H 1.153 0.002 1 354 36 36 THR C C 174.269 0.061 1 355 36 36 THR CA C 61.125 0.139 1 356 36 36 THR CB C 68.606 0.116 1 357 36 36 THR CG2 C 21.118 0.077 1 358 36 36 THR N N 117.492 0.092 1 359 37 37 THR H H 8.098 0.005 1 360 37 37 THR HA H 4.396 0.006 1 361 37 37 THR HB H 4.143 0.003 1 362 37 37 THR HG2 H 1.098 0.001 1 363 37 37 THR C C 174.97 0 1 364 37 37 THR CA C 61.645 0.101 1 365 37 37 THR CB C 69.902 0.034 1 366 37 37 THR CG2 C 21.038 0.038 1 367 37 37 THR N N 118.649 0.076 1 368 38 38 VAL HA H 4.507 0.002 1 369 38 38 VAL HB H 1.663 0.004 1 370 38 38 VAL HG1 H 0.544 0.003 2 371 38 38 VAL HG2 H 0.291 0.005 2 372 38 38 VAL C C 173.212 0 1 373 38 38 VAL CA C 60.599 0.069 1 374 38 38 VAL CB C 32.473 0.009 1 375 38 38 VAL CG1 C 19.542 0.038 2 376 38 38 VAL CG2 C 21.317 0.027 2 377 39 39 THR H H 8.676 0.003 1 378 39 39 THR HA H 4.726 0.001 1 379 39 39 THR HB H 3.911 0.002 1 380 39 39 THR HG2 H 1.108 0.003 1 381 39 39 THR C C 176.241 0 1 382 39 39 THR CA C 58.617 0.102 1 383 39 39 THR CB C 70.659 0.04 1 384 39 39 THR CG2 C 20.349 0.071 1 385 39 39 THR N N 120.864 0.023 1 386 40 40 PRO HA H 4.389 0.005 1 387 40 40 PRO HB2 H 1.032 0.002 2 388 40 40 PRO HB3 H 1.245 0.003 2 389 40 40 PRO HG2 H 1.452 0.01 2 390 40 40 PRO HG3 H 1.789 0.005 2 391 40 40 PRO HD2 H 3.479 0.006 2 392 40 40 PRO HD3 H 3.709 0.003 2 393 40 40 PRO C C 172.768 0 1 394 40 40 PRO CA C 63.432 0.057 1 395 40 40 PRO CB C 30.521 0.04 1 396 40 40 PRO CG C 26.523 0.047 1 397 40 40 PRO CD C 50.812 0.1 1 398 41 41 ASP H H 8.792 0.004 1 399 41 41 ASP HA H 4.804 0.007 1 400 41 41 ASP HB2 H 2.379 0 2 401 41 41 ASP HB3 H 3.122 0 2 402 41 41 ASP C C 170.763 0 1 403 41 41 ASP CA C 53.246 0.056 1 404 41 41 ASP CB C 41.612 0.049 1 405 41 41 ASP N N 125.951 0.038 1 406 42 42 LYS H H 8.748 0.007 1 407 42 42 LYS HA H 4.525 0.007 1 408 42 42 LYS HB2 H 1.93 0.006 2 409 42 42 LYS HB3 H 2.112 0.003 2 410 42 42 LYS HG2 H 1.533 0.004 2 411 42 42 LYS HG3 H 1.533 0.004 2 412 42 42 LYS HD2 H 1.729 0.002 2 413 42 42 LYS HD3 H 1.729 0.002 2 414 42 42 LYS HE2 H 3.02 0.004 2 415 42 42 LYS HE3 H 3.02 0.004 2 416 42 42 LYS C C 171.376 0.029 1 417 42 42 LYS CA C 57.498 0.132 1 418 42 42 LYS CB C 32.164 0.053 1 419 42 42 LYS CG C 24.56 0.034 1 420 42 42 LYS CD C 28.391 0 1 421 42 42 LYS CE C 41.635 0.011 1 422 42 42 LYS N N 124.558 0.024 1 423 43 43 ARG H H 8.38 0.004 1 424 43 43 ARG C C 170.2 0.025 1 425 43 43 ARG CA C 57.753 0.028 1 426 43 43 ARG CB C 29.961 0 1 427 43 43 ARG N N 119.615 0.055 1 428 44 44 LYS H H 8.706 0.005 1 429 44 44 LYS HA H 4.409 0 1 430 44 44 LYS HB2 H 1.544 0 2 431 44 44 LYS HB3 H 1.715 0 2 432 44 44 LYS HD2 H 1.645 0 2 433 44 44 LYS HD3 H 1.645 0 2 434 44 44 LYS HE2 H 3.033 0.002 2 435 44 44 LYS HE3 H 3.033 0.002 2 436 44 44 LYS C C 171.983 0.013 1 437 44 44 LYS CA C 56.209 0.018 1 438 44 44 LYS CB C 32.212 0.073 1 439 44 44 LYS CD C 28.924 0 1 440 44 44 LYS CE C 41.758 0 1 441 44 44 LYS N N 123.413 0.031 1 442 45 45 GLY H H 8.885 0.008 1 443 45 45 GLY HA2 H 4.136 0.008 2 444 45 45 GLY HA3 H 4.874 0.022 2 445 45 45 GLY C C 174.529 0.013 1 446 45 45 GLY CA C 44.854 0.029 1 447 45 45 GLY N N 112.736 0.031 1 448 46 46 LEU H H 8.02 0.003 1 449 46 46 LEU HA H 4.657 0.005 1 450 46 46 LEU HB2 H 0.776 0.009 2 451 46 46 LEU HB3 H 1.416 0.006 2 452 46 46 LEU HG H 1.123 0.004 1 453 46 46 LEU HD1 H 0.608 0.014 2 454 46 46 LEU HD2 H 0.569 0.004 2 455 46 46 LEU C C 173.994 0 1 456 46 46 LEU CA C 53.739 0.062 1 457 46 46 LEU CB C 47.228 0.208 1 458 46 46 LEU CG C 25.957 0.022 1 459 46 46 LEU CD1 C 23.929 0.013 2 460 46 46 LEU CD2 C 25.218 0.016 2 461 46 46 LEU N N 124.418 0.083 1 462 47 47 VAL H H 8.434 0.005 1 463 47 47 VAL HA H 4.394 0.007 1 464 47 47 VAL HB H 0.022 0.006 1 465 47 47 VAL HG1 H 0.304 0.002 2 466 47 47 VAL HG2 H -0.525 0.003 2 467 47 47 VAL C C 174.121 0.012 1 468 47 47 VAL CA C 59.569 0.056 1 469 47 47 VAL CB C 31.452 0.14 1 470 47 47 VAL CG1 C 23.717 0.015 2 471 47 47 VAL CG2 C 21.538 0.009 2 472 47 47 VAL N N 125.787 0.031 1 473 48 48 TYR H H 7.697 0.004 1 474 48 48 TYR HA H 4.738 0.001 1 475 48 48 TYR HB2 H 2.165 0 2 476 48 48 TYR HB3 H 2.335 0 2 477 48 48 TYR C C 176.625 0.002 1 478 48 48 TYR CA C 54.825 0.064 1 479 48 48 TYR CB C 40.005 0.048 1 480 48 48 TYR N N 118.657 0.032 1 481 49 49 ILE H H 7.622 0.005 1 482 49 49 ILE HA H 5.161 0.004 1 483 49 49 ILE HB H 1.42 0.007 1 484 49 49 ILE HG12 H 1.22 0.001 2 485 49 49 ILE HG13 H 0.97 0.001 2 486 49 49 ILE HG2 H 0.763 0.002 1 487 49 49 ILE HD1 H 0.796 0.003 1 488 49 49 ILE C C 173.856 0.011 1 489 49 49 ILE CA C 57.704 0.061 1 490 49 49 ILE CB C 39.236 0.139 1 491 49 49 ILE CG2 C 17.741 0.01 1 492 49 49 ILE CD1 C 14.306 0.019 1 493 49 49 ILE N N 116.493 0.036 1 494 50 50 GLN H H 9.031 0.004 1 495 50 50 GLN HA H 5.034 0.007 1 496 50 50 GLN HB2 H 1.916 0.004 2 497 50 50 GLN HB3 H 2.321 0.005 2 498 50 50 GLN HG2 H 1.971 0.002 2 499 50 50 GLN HG3 H 1.971 0.002 2 500 50 50 GLN HE21 H 6.744 0 2 501 50 50 GLN HE22 H 7.219 0 2 502 50 50 GLN C C 175.58 0.005 1 503 50 50 GLN CA C 52.95 0.075 1 504 50 50 GLN CB C 32.902 0.091 1 505 50 50 GLN CG C 33.039 0 1 506 50 50 GLN N N 127.459 0.028 1 507 50 50 GLN NE2 N 110.347 0.001 1 508 51 51 GLN H H 9.141 0.006 1 509 51 51 GLN HA H 5.73 0.007 1 510 51 51 GLN HB2 H 1.522 0.013 2 511 51 51 GLN HB3 H 2.143 0.059 2 512 51 51 GLN HG2 H 2.353 0 2 513 51 51 GLN HG3 H 2.136 0.052 2 514 51 51 GLN HE21 H 7.054 0 2 515 51 51 GLN HE22 H 7.4 0 2 516 51 51 GLN C C 171.894 0.012 1 517 51 51 GLN CA C 53.346 0.079 1 518 51 51 GLN CB C 30.27 0.188 1 519 51 51 GLN CG C 33.199 0.048 1 520 51 51 GLN N N 127.876 0.022 1 521 51 51 GLN NE2 N 110.141 0.005 1 522 52 52 THR H H 9.081 0.006 1 523 52 52 THR HA H 4.425 0.007 1 524 52 52 THR HB H 4.596 0.001 1 525 52 52 THR HG2 H 0.81 0.005 1 526 52 52 THR C C 171.583 0.038 1 527 52 52 THR CA C 61.312 0.086 1 528 52 52 THR CB C 69.164 0.095 1 529 52 52 THR CG2 C 22.968 0.066 1 530 52 52 THR N N 118.431 0.054 1 531 53 53 ASP H H 8.798 0.004 1 532 53 53 ASP HA H 4.332 0.001 1 533 53 53 ASP HB2 H 2.72 0.004 2 534 53 53 ASP HB3 H 2.72 0.004 2 535 53 53 ASP C C 172.957 0.012 1 536 53 53 ASP CA C 57 0.086 1 537 53 53 ASP CB C 39.711 0.091 1 538 53 53 ASP N N 120.56 0.039 1 539 54 54 ASP H H 7.894 0.005 1 540 54 54 ASP HA H 4.475 0.002 1 541 54 54 ASP HB2 H 2.656 0.002 2 542 54 54 ASP HB3 H 3.101 0 2 543 54 54 ASP C C 172.296 0.009 1 544 54 54 ASP CA C 53.188 0.114 1 545 54 54 ASP CB C 39.644 0.033 1 546 54 54 ASP N N 118.463 0.045 1 547 55 55 SER H H 8.46 0.003 1 548 55 55 SER HA H 4.016 0.007 1 549 55 55 SER HB2 H 4.322 0.004 2 550 55 55 SER HB3 H 4.322 0.004 2 551 55 55 SER C C 175.007 0 1 552 55 55 SER CA C 61.295 0.062 1 553 55 55 SER CB C 62.624 0.024 1 554 55 55 SER N N 112.231 0.081 1 555 56 56 LEU H H 7.954 0.002 1 556 56 56 LEU HA H 4.148 0.01 1 557 56 56 LEU HB2 H 0.957 0.002 2 558 56 56 LEU HB3 H 1.8 0.003 2 559 56 56 LEU HG H 1.409 0.002 1 560 56 56 LEU HD1 H 0.879 0.003 2 561 56 56 LEU HD2 H 0.828 0.003 2 562 56 56 LEU C C 173.803 0.046 1 563 56 56 LEU CA C 54.942 0.083 1 564 56 56 LEU CB C 40.565 0.148 1 565 56 56 LEU CG C 26.668 0 1 566 56 56 LEU CD1 C 25.113 0 2 567 56 56 LEU CD2 C 22.187 0.009 2 568 56 56 LEU N N 123.546 0.053 1 569 57 57 ILE H H 8.364 0.006 1 570 57 57 ILE HA H 4.55 0.007 1 571 57 57 ILE HB H 2.189 0.006 1 572 57 57 ILE HG12 H 1.692 0 2 573 57 57 ILE HG13 H 1.55 0.004 2 574 57 57 ILE HG2 H 0.69 0.004 1 575 57 57 ILE HD1 H 0.671 0.009 1 576 57 57 ILE C C 174.271 0 1 577 57 57 ILE CA C 57.623 0.133 1 578 57 57 ILE CB C 35.836 0.07 1 579 57 57 ILE CG1 C 25.467 0.002 1 580 57 57 ILE CG2 C 17.191 0.016 1 581 57 57 ILE CD1 C 9.47 0.039 1 582 57 57 ILE N N 121.597 0.029 1 583 58 58 HIS H H 8.989 0.002 1 584 58 58 HIS HA H 5.297 0.002 1 585 58 58 HIS HB2 H 2.879 0.006 2 586 58 58 HIS HB3 H 2.879 0.006 2 587 58 58 HIS C C 174.993 0.002 1 588 58 58 HIS CA C 52.605 0.074 1 589 58 58 HIS CB C 29.845 0.105 1 590 58 58 HIS N N 123.186 0.02 1 591 59 59 PHE H H 9.634 0.003 1 592 59 59 PHE HA H 4.532 0.005 1 593 59 59 PHE HB2 H 2.401 0.005 2 594 59 59 PHE HB3 H 3.181 0.001 2 595 59 59 PHE C C 174.248 0 1 596 59 59 PHE CA C 56.997 0.04 1 597 59 59 PHE CB C 41.491 0.045 1 598 59 59 PHE N N 126.85 0.032 1 599 60 60 CYS H H 8.152 0.003 1 600 60 60 CYS HA H 5.225 0.003 1 601 60 60 CYS HB2 H 0.415 0.002 2 602 60 60 CYS HB3 H 2.083 0.002 2 603 60 60 CYS C C 176.438 0.001 1 604 60 60 CYS CA C 55.13 0.093 1 605 60 60 CYS CB C 31.447 0.193 1 606 60 60 CYS N N 125.232 0.03 1 607 61 61 TRP H H 8.255 0.006 1 608 61 61 TRP HA H 5.18 0 1 609 61 61 TRP HB2 H 2.756 0 2 610 61 61 TRP HB3 H 3.875 0 2 611 61 61 TRP HE1 H 10.121 0 1 612 61 61 TRP C C 173.765 0 1 613 61 61 TRP CA C 57.261 0.08 1 614 61 61 TRP CB C 31.945 0.144 1 615 61 61 TRP N N 118.31 0.037 1 616 61 61 TRP NE1 N 126.949 0 1 617 62 62 LYS H H 8.323 0.003 1 618 62 62 LYS HA H 4.828 0.004 1 619 62 62 LYS HB2 H 1.408 0.007 2 620 62 62 LYS HB3 H 1.408 0.007 2 621 62 62 LYS HG2 H 0.86 0.003 2 622 62 62 LYS HG3 H 0.767 0.004 2 623 62 62 LYS HD2 H 1.385 0.004 2 624 62 62 LYS HD3 H 1.385 0.004 2 625 62 62 LYS HE2 H 2.591 0.001 2 626 62 62 LYS HE3 H 2.639 0.002 2 627 62 62 LYS C C 176.776 0.024 1 628 62 62 LYS CA C 52.207 0.079 1 629 62 62 LYS CB C 37.309 0.169 1 630 62 62 LYS CG C 23.573 0.088 1 631 62 62 LYS CD C 29.272 0.009 1 632 62 62 LYS CE C 41.391 0.031 1 633 62 62 LYS N N 126.824 0.03 1 634 63 63 ASP H H 7.715 0.007 1 635 63 63 ASP HA H 4.017 0.002 1 636 63 63 ASP HB2 H 2.579 0.002 2 637 63 63 ASP HB3 H 3.01 0.014 2 638 63 63 ASP C C 171.146 0 1 639 63 63 ASP CA C 52.725 0.051 1 640 63 63 ASP CB C 41.702 0.057 1 641 63 63 ASP N N 123.17 0.031 1 642 64 64 ARG H H 8.678 0.004 1 643 64 64 ARG HA H 3.769 0.006 1 644 64 64 ARG HB2 H 1.357 0.008 2 645 64 64 ARG HB3 H 1.745 0.007 2 646 64 64 ARG HG2 H 1.168 0.003 2 647 64 64 ARG HG3 H 1.389 0.006 2 648 64 64 ARG HD2 H 3.123 0.005 2 649 64 64 ARG HD3 H 2.974 0 2 650 64 64 ARG C C 171.075 0.013 1 651 64 64 ARG CA C 58.472 0.103 1 652 64 64 ARG CB C 30.39 0.136 1 653 64 64 ARG CG C 28.624 0.067 1 654 64 64 ARG CD C 43.504 0.02 1 655 64 64 ARG N N 125.405 0.016 1 656 65 65 THR H H 8.879 0.004 1 657 65 65 THR HA H 4.08 0.002 1 658 65 65 THR HB H 4.352 0.005 1 659 65 65 THR HG2 H 1.259 0.002 1 660 65 65 THR C C 173.303 0.015 1 661 65 65 THR CA C 65.026 0.042 1 662 65 65 THR CB C 67.696 0.112 1 663 65 65 THR CG2 C 21.308 0.038 1 664 65 65 THR N N 116.122 0.064 1 665 66 66 SER H H 7.918 0.01 1 666 66 66 SER HA H 4.405 0 1 667 66 66 SER HB2 H 3.977 0 2 668 66 66 SER HB3 H 3.977 0 2 669 66 66 SER C C 172.865 0.006 1 670 66 66 SER CA C 58.326 0.056 1 671 66 66 SER CB C 64.581 0.062 1 672 66 66 SER N N 115.033 0.061 1 673 67 67 GLY H H 8.093 0.004 1 674 67 67 GLY HA2 H 3.532 0.003 2 675 67 67 GLY HA3 H 4.16 0.005 2 676 67 67 GLY C C 175.122 0 1 677 67 67 GLY CA C 45.27 0.048 1 678 67 67 GLY N N 111.759 0.038 1 679 68 68 ASN H H 7.94 0.003 1 680 68 68 ASN HA H 4.561 0.006 1 681 68 68 ASN HB2 H 2.719 0.002 2 682 68 68 ASN HB3 H 2.719 0.002 2 683 68 68 ASN HD21 H 7.019 0.004 2 684 68 68 ASN HD22 H 7.635 0.001 2 685 68 68 ASN C C 173.837 0.006 1 686 68 68 ASN CA C 53.492 0.078 1 687 68 68 ASN CB C 38.615 0.078 1 688 68 68 ASN N N 118.288 0.043 1 689 68 68 ASN ND2 N 112.183 0.114 1 690 69 69 VAL H H 8.772 0.003 1 691 69 69 VAL HA H 4.057 0.003 1 692 69 69 VAL HB H 2.103 0.003 1 693 69 69 VAL HG1 H 1.027 0.002 2 694 69 69 VAL HG2 H 0.899 0.006 2 695 69 69 VAL C C 172.992 0.013 1 696 69 69 VAL CA C 62.72 0.033 1 697 69 69 VAL CB C 30.677 0.043 1 698 69 69 VAL CG1 C 21.41 0.021 2 699 69 69 VAL CG2 C 20.997 0.027 2 700 69 69 VAL N N 126.904 0.046 1 701 70 70 GLU H H 8.246 0.004 1 702 70 70 GLU HA H 4.468 0.003 1 703 70 70 GLU HB2 H 2.328 0.006 2 704 70 70 GLU HB3 H 2.444 0.001 2 705 70 70 GLU HG2 H 2.508 0.005 2 706 70 70 GLU HG3 H 2.35 0.002 2 707 70 70 GLU C C 173.396 0 1 708 70 70 GLU CA C 57.723 0.097 1 709 70 70 GLU CB C 32.107 0.134 1 710 70 70 GLU CG C 37.402 0.032 1 711 70 70 GLU N N 129.218 0.021 1 712 71 71 ASP H H 7.979 0.004 1 713 71 71 ASP HA H 5.118 0.003 1 714 71 71 ASP HB2 H 2.472 0.002 2 715 71 71 ASP HB3 H 2.712 0.005 2 716 71 71 ASP C C 175.017 0.015 1 717 71 71 ASP CA C 53.187 0.062 1 718 71 71 ASP CB C 43.544 0.024 1 719 71 71 ASP N N 117.071 0.047 1 720 72 72 ASP H H 8.429 0.005 1 721 72 72 ASP HA H 5.013 0.002 1 722 72 72 ASP HB2 H 2.437 0.001 2 723 72 72 ASP HB3 H 2.751 0.008 2 724 72 72 ASP C C 173.86 0 1 725 72 72 ASP CA C 53.834 0.086 1 726 72 72 ASP CB C 40.698 0.051 1 727 72 72 ASP N N 121.345 0.055 1 728 73 73 LEU H H 9.193 0.004 1 729 73 73 LEU HA H 4.751 0.005 1 730 73 73 LEU HB2 H 1.534 0.004 2 731 73 73 LEU HB3 H 1.995 0.002 2 732 73 73 LEU HG H 1.832 0.002 1 733 73 73 LEU HD1 H 1.004 0.001 2 734 73 73 LEU HD2 H 0.979 0.003 2 735 73 73 LEU C C 172.987 0.008 1 736 73 73 LEU CA C 53.276 0.045 1 737 73 73 LEU CB C 43.916 0.158 1 738 73 73 LEU CG C 27.3 0.023 1 739 73 73 LEU CD1 C 25.803 0.088 2 740 73 73 LEU CD2 C 24.19 0.084 2 741 73 73 LEU N N 126.398 0.057 1 742 74 74 ILE H H 8.246 0.002 1 743 74 74 ILE HA H 4.323 0.006 1 744 74 74 ILE HB H 1.55 0.002 1 745 74 74 ILE HG12 H 1.215 0.002 2 746 74 74 ILE HG13 H -0.028 0.002 2 747 74 74 ILE HG2 H 0.497 0.004 1 748 74 74 ILE HD1 H 0.632 0.002 1 749 74 74 ILE C C 172.729 0 1 750 74 74 ILE CA C 60.819 0.063 1 751 74 74 ILE CB C 36.921 0.008 1 752 74 74 ILE CG1 C 27.412 0.008 1 753 74 74 ILE CG2 C 18.394 0.017 1 754 74 74 ILE CD1 C 12.728 0.03 1 755 74 74 ILE N N 123.951 0.03 1 756 75 75 ILE H H 8.069 0.012 1 757 75 75 ILE HA H 4.35 0.002 1 758 75 75 ILE HB H 1.514 0.007 1 759 75 75 ILE HG12 H 1.384 0.006 2 760 75 75 ILE HG13 H 1.32 0.003 2 761 75 75 ILE HG2 H 0.951 0.003 1 762 75 75 ILE HD1 H 0.756 0.001 1 763 75 75 ILE C C 173.369 0 1 764 75 75 ILE CA C 59.198 0.083 1 765 75 75 ILE CB C 40.115 0.003 1 766 75 75 ILE CG1 C 26.691 0.035 1 767 75 75 ILE CG2 C 19.956 0.03 1 768 75 75 ILE CD1 C 12.786 0.034 1 769 75 75 ILE N N 128.953 0.01 1 770 76 76 PHE H H 9.162 0.003 1 771 76 76 PHE HA H 4.931 0.003 1 772 76 76 PHE HB2 H 3.012 0.008 2 773 76 76 PHE HB3 H 3.146 0.028 2 774 76 76 PHE C C 175.163 0 1 775 76 76 PHE CA C 56.342 0.11 1 776 76 76 PHE CB C 37.432 0.065 1 777 76 76 PHE N N 129.669 0.029 1 778 77 77 PRO HA H 4.735 0.003 1 779 77 77 PRO HB2 H 1.945 0 2 780 77 77 PRO HB3 H 2.551 0 2 781 77 77 PRO HG2 H 2.239 0 2 782 77 77 PRO HG3 H 1.898 0 2 783 77 77 PRO C C 171.714 0.02 1 784 77 77 PRO CA C 64.439 0.066 1 785 77 77 PRO CB C 31.08 0 1 786 78 78 ASP H H 9.033 0.003 1 787 78 78 ASP HA H 4.354 0.001 1 788 78 78 ASP HB2 H 2.909 0.009 2 789 78 78 ASP HB3 H 2.979 0.002 2 790 78 78 ASP C C 172.93 0.021 1 791 78 78 ASP CA C 56.424 0.071 1 792 78 78 ASP CB C 40.296 0.115 1 793 78 78 ASP N N 119.022 0.032 1 794 79 79 ASP H H 8.209 0.005 1 795 79 79 ASP HA H 4.656 0.006 1 796 79 79 ASP HB2 H 2.866 0.003 2 797 79 79 ASP HB3 H 3.178 0.002 2 798 79 79 ASP C C 169.553 0.02 1 799 79 79 ASP CA C 57.203 0.084 1 800 79 79 ASP CB C 42.41 0.079 1 801 79 79 ASP N N 119.968 0.042 1 802 80 80 CYS H H 9.224 0.006 1 803 80 80 CYS HA H 5.307 0.005 1 804 80 80 CYS HB2 H 1.956 0.004 2 805 80 80 CYS HB3 H 2.155 0.002 2 806 80 80 CYS C C 175.517 0.008 1 807 80 80 CYS CA C 56.948 0.092 1 808 80 80 CYS CB C 32.825 0.132 1 809 80 80 CYS N N 115.835 0.041 1 810 81 81 GLU H H 8.108 0.003 1 811 81 81 GLU HA H 4.509 0.005 1 812 81 81 GLU HB2 H 1.856 0.009 2 813 81 81 GLU HB3 H 1.856 0.009 2 814 81 81 GLU HG2 H 2.064 0.003 2 815 81 81 GLU HG3 H 2.064 0.003 2 816 81 81 GLU C C 175.798 0.017 1 817 81 81 GLU CA C 54.562 0.052 1 818 81 81 GLU CB C 33.635 0.04 1 819 81 81 GLU CG C 35.444 0.03 1 820 81 81 GLU N N 116.831 0.057 1 821 82 82 PHE H H 9.381 0.006 1 822 82 82 PHE HA H 6.17 0.006 1 823 82 82 PHE HB2 H 2.598 0 2 824 82 82 PHE HB3 H 3.132 0.007 2 825 82 82 PHE C C 173.335 0.005 1 826 82 82 PHE CA C 55.091 0.057 1 827 82 82 PHE CB C 42.055 0.075 1 828 82 82 PHE N N 127.902 0.051 1 829 83 83 LYS H H 8.902 0.003 1 830 83 83 LYS HA H 4.799 0.007 1 831 83 83 LYS HB2 H 1.6 0.007 2 832 83 83 LYS HB3 H 1.745 0.006 2 833 83 83 LYS HG2 H 1.246 0.002 2 834 83 83 LYS HG3 H 1.246 0.002 2 835 83 83 LYS HD2 H 1.566 0.008 2 836 83 83 LYS HD3 H 1.566 0.008 2 837 83 83 LYS HE2 H 2.884 0.008 2 838 83 83 LYS HE3 H 2.795 0.004 2 839 83 83 LYS C C 174.985 0.007 1 840 83 83 LYS CA C 54.371 0.057 1 841 83 83 LYS CB C 36.244 0.072 1 842 83 83 LYS CG C 23.362 0.034 1 843 83 83 LYS CD C 28.909 0.052 1 844 83 83 LYS CE C 41.572 0.033 1 845 83 83 LYS N N 124.895 0.047 1 846 84 84 ARG H H 8.722 0.005 1 847 84 84 ARG HA H 3.265 0.004 1 848 84 84 ARG HB2 H 1.448 0 2 849 84 84 ARG HB3 H 1.505 0 2 850 84 84 ARG HG2 H 0.971 0.005 2 851 84 84 ARG HG3 H 1.207 0.009 2 852 84 84 ARG HD2 H 2.994 0.006 2 853 84 84 ARG HD3 H 3.103 0.002 2 854 84 84 ARG C C 172.373 0 1 855 84 84 ARG CA C 55.945 0.018 1 856 84 84 ARG CB C 30.236 0.161 1 857 84 84 ARG CG C 27.323 0.065 1 858 84 84 ARG CD C 42.775 0.018 1 859 84 84 ARG N N 123.81 0.047 1 860 85 85 VAL H H 8.217 0.014 1 861 85 85 VAL HA H 4.312 0.003 1 862 85 85 VAL HB H 1.935 0.002 1 863 85 85 VAL HG1 H 0.946 0.002 2 864 85 85 VAL C C 172.214 0 1 865 85 85 VAL CA C 59.553 0.084 1 866 85 85 VAL CB C 31.134 0 1 867 85 85 VAL CG1 C 21.41 0.022 2 868 85 85 VAL N N 127.091 0.029 1 869 86 86 PRO HA H 4.289 0.004 1 870 86 86 PRO HB2 H 1.947 0 2 871 86 86 PRO HB3 H 2.231 0.004 2 872 86 86 PRO HG2 H 1.912 0 2 873 86 86 PRO HG3 H 2.012 0.006 2 874 86 86 PRO C C 171.639 0 1 875 86 86 PRO CA C 63.902 0.036 1 876 86 86 PRO CB C 31.527 0.112 1 877 86 86 PRO CG C 26.91 0.083 1 878 87 87 GLN H H 8.411 0.005 1 879 87 87 GLN HA H 4.206 0.004 1 880 87 87 GLN HB2 H 2.067 0 1 881 87 87 GLN HB3 H 2.14 0 2 882 87 87 GLN HG2 H 2.422 0.003 2 883 87 87 GLN HG3 H 2.345 0.002 2 884 87 87 GLN HE21 H 7.002 0 2 885 87 87 GLN HE22 H 7.59 0 2 886 87 87 GLN C C 173.353 0.02 1 887 87 87 GLN CA C 56.596 0.065 1 888 87 87 GLN CB C 27.311 0.056 1 889 87 87 GLN CG C 33.385 0.041 1 890 87 87 GLN N N 115.544 0.057 1 891 87 87 GLN NE2 N 112.428 0.002 1 892 88 88 CYS H H 7.443 0.009 1 893 88 88 CYS HA H 4.812 0.003 1 894 88 88 CYS HB2 H 2.776 0.005 2 895 88 88 CYS HB3 H 3.019 0.007 2 896 88 88 CYS C C 174.402 0 1 897 88 88 CYS CA C 56.499 0.046 1 898 88 88 CYS CB C 27.097 0.146 1 899 88 88 CYS N N 119.15 0.065 1 900 90 90 SER HA H 4.381 0 1 901 90 90 SER HB2 H 3.872 0.002 2 902 90 90 SER HB3 H 3.872 0.002 2 903 90 90 SER C C 173.564 0 1 904 90 90 SER CA C 58.971 0.034 1 905 90 90 SER CB C 63.244 0.093 1 906 91 91 GLY H H 7.859 0.003 1 907 91 91 GLY HA2 H 4.041 0 2 908 91 91 GLY HA3 H 4.041 0 2 909 91 91 GLY C C 174.876 0.016 1 910 91 91 GLY CA C 45.251 0.028 1 911 91 91 GLY N N 108.818 0.054 1 912 92 92 ARG H H 8.526 0.005 1 913 92 92 ARG HA H 4.628 0 1 914 92 92 ARG C C 173.883 0.022 1 915 92 92 ARG CA C 54.987 0.082 1 916 92 92 ARG CB C 29.836 0 1 917 92 92 ARG N N 118.39 0.052 1 918 93 93 VAL H H 8.128 0.006 1 919 93 93 VAL HA H 5.148 0.004 1 920 93 93 VAL HB H 1.984 0.003 1 921 93 93 VAL HG1 H 1.124 0.002 2 922 93 93 VAL HG2 H 0.98 0.005 2 923 93 93 VAL C C 173.692 0 1 924 93 93 VAL CA C 62.114 0.071 1 925 93 93 VAL CB C 32.407 0.17 1 926 93 93 VAL CG1 C 21.139 0.001 2 927 93 93 VAL CG2 C 21.724 0.049 2 928 93 93 VAL N N 121.802 0.047 1 929 94 94 TYR H H 9.561 0.003 1 930 94 94 TYR HA H 4.811 0.001 1 931 94 94 TYR HB2 H 2.379 0 2 932 94 94 TYR HB3 H 1.732 0 2 933 94 94 TYR C C 175.517 0 1 934 94 94 TYR CA C 56.336 0.105 1 935 94 94 TYR CB C 44.045 0.081 1 936 94 94 TYR N N 127.635 0.042 1 937 95 95 VAL H H 9.228 0.005 1 938 95 95 VAL HA H 5.11 0.005 1 939 95 95 VAL HB H 1.505 0.003 1 940 95 95 VAL HG1 H 0.758 0.005 2 941 95 95 VAL HG2 H -0.002 0.001 2 942 95 95 VAL C C 176.412 0.003 1 943 95 95 VAL CA C 56.791 0.058 1 944 95 95 VAL CB C 35.757 0.08 1 945 95 95 VAL CG1 C 18.828 0.05 2 946 95 95 VAL CG2 C 21.589 0.013 2 947 95 95 VAL N N 119.349 0.044 1 948 96 96 LEU H H 9.377 0.004 1 949 96 96 LEU HA H 4.962 0.005 1 950 96 96 LEU HB2 H 1.098 0.007 2 951 96 96 LEU HB3 H 2.15 0.012 2 952 96 96 LEU HG H 0.803 0.004 1 953 96 96 LEU HD1 H 0.272 0.1 2 954 96 96 LEU HD2 H -0.064 0.003 2 955 96 96 LEU C C 174.617 0 1 956 96 96 LEU CA C 53.285 0.059 1 957 96 96 LEU CB C 42.935 0.148 1 958 96 96 LEU CG C 26.539 0.035 1 959 96 96 LEU CD1 C 22.512 0.063 2 960 96 96 LEU CD2 C 24.467 0.026 2 961 96 96 LEU N N 128.196 0.03 1 962 97 97 LYS H H 8.975 0.004 1 963 97 97 LYS HA H 4.721 0.007 1 964 97 97 LYS HB2 H 1.555 0.007 2 965 97 97 LYS HB3 H 1.798 0.003 2 966 97 97 LYS HG2 H 1.27 0.007 2 967 97 97 LYS HG3 H 1.148 0.005 2 968 97 97 LYS HD2 H 1.635 0.002 2 969 97 97 LYS HD3 H 1.635 0.002 2 970 97 97 LYS HE2 H 2.857 0.004 2 971 97 97 LYS HE3 H 2.857 0.004 2 972 97 97 LYS C C 172.938 0.039 1 973 97 97 LYS CA C 54.361 0.044 1 974 97 97 LYS CB C 34.769 0.179 1 975 97 97 LYS CG C 24.657 0.097 1 976 97 97 LYS CD C 29.01 0 1 977 97 97 LYS CE C 41.613 0.013 1 978 97 97 LYS N N 126.678 0.02 1 979 98 98 PHE H H 8.111 0.005 1 980 98 98 PHE HA H 4.779 0.001 1 981 98 98 PHE HB2 H 3.229 0 2 982 98 98 PHE HB3 H 3.113 0 2 983 98 98 PHE C C 172.517 0 1 984 98 98 PHE CA C 57.387 0.046 1 985 98 98 PHE CB C 38.155 0.029 1 986 98 98 PHE N N 126.325 0.035 1 987 99 99 LYS H H 8.457 0.004 1 988 99 99 LYS HA H 3.963 0.005 1 989 99 99 LYS HB2 H 1.797 0.007 2 990 99 99 LYS HB3 H 1.885 0.003 2 991 99 99 LYS HG2 H 1.353 0.002 2 992 99 99 LYS HG3 H 1.353 0.002 2 993 99 99 LYS HD2 H 1.64 0.003 2 994 99 99 LYS HD3 H 1.64 0.003 2 995 99 99 LYS HE2 H 2.851 0.012 2 996 99 99 LYS HE3 H 2.813 0.007 2 997 99 99 LYS C C 171.494 0 1 998 99 99 LYS CA C 58.97 0.086 1 999 99 99 LYS CB C 31.961 0.085 1 1000 99 99 LYS CG C 25.259 0.032 1 1001 99 99 LYS CD C 28.812 0.111 1 1002 99 99 LYS CE C 41.537 0.01 1 1003 99 99 LYS N N 123.548 0.048 1 1004 100 100 ALA H H 8.958 0.004 1 1005 100 100 ALA HA H 4.556 0.003 1 1006 100 100 ALA HB H 1.441 0.003 1 1007 100 100 ALA C C 171.068 0.007 1 1008 100 100 ALA CA C 51.55 0.044 1 1009 100 100 ALA CB C 18.671 0.119 1 1010 100 100 ALA N N 121.815 0.051 1 1011 101 101 GLY H H 8.075 0.003 1 1012 101 101 GLY HA2 H 4.024 0 2 1013 101 101 GLY HA3 H 4.024 0 2 1014 101 101 GLY C C 174.895 0 1 1015 101 101 GLY CA C 45.232 0.08 1 1016 101 101 GLY N N 108.063 0.062 1 1017 102 102 SER H H 8.233 0 1 1018 102 102 SER HA H 4.443 0 1 1019 102 102 SER HB2 H 3.932 0 2 1020 102 102 SER HB3 H 3.932 0 2 1021 102 102 SER C C 173.952 0 1 1022 102 102 SER CA C 58.177 0.032 1 1023 102 102 SER CB C 63.619 0.032 1 1024 102 102 SER N N 115.478 0 1 1025 103 103 LYS H H 7.922 0.004 1 1026 103 103 LYS HA H 4.245 0.003 1 1027 103 103 LYS HB2 H 1.419 0.006 2 1028 103 103 LYS HB3 H 1.501 0.004 2 1029 103 103 LYS HG2 H 1.284 0.006 2 1030 103 103 LYS HG3 H 0.98 0.002 2 1031 103 103 LYS HD2 H 1.158 0.003 2 1032 103 103 LYS HD3 H 1.059 0.005 2 1033 103 103 LYS HE2 H 2.543 0.003 2 1034 103 103 LYS HE3 H 2.502 0.007 2 1035 103 103 LYS C C 172.539 0.018 1 1036 103 103 LYS CA C 57.516 0.077 1 1037 103 103 LYS CB C 32.06 0.102 1 1038 103 103 LYS CG C 24.456 0.025 1 1039 103 103 LYS CD C 28.394 0.017 1 1040 103 103 LYS CE C 41.149 0.051 1 1041 103 103 LYS N N 123.332 0.039 1 1042 104 104 ARG H H 8.345 0.006 1 1043 104 104 ARG HA H 5.155 0.005 1 1044 104 104 ARG HB2 H 1.276 0.007 2 1045 104 104 ARG HB3 H 1.604 0.003 2 1046 104 104 ARG HG2 H 1.548 0 2 1047 104 104 ARG HG3 H 1.651 0 2 1048 104 104 ARG HD2 H 3.201 0.005 2 1049 104 104 ARG HD3 H 3.101 0.002 2 1050 104 104 ARG C C 174.367 0.007 1 1051 104 104 ARG CA C 54.868 0.056 1 1052 104 104 ARG CB C 33.367 0.144 1 1053 104 104 ARG CG C 27.053 0.084 1 1054 104 104 ARG CD C 43.325 0.031 1 1055 104 104 ARG N N 125.285 0.021 1 1056 105 105 LEU H H 8.318 0.003 1 1057 105 105 LEU HA H 4.637 0.004 1 1058 105 105 LEU HB2 H 1.574 0.001 2 1059 105 105 LEU HB3 H 1.671 0.004 2 1060 105 105 LEU HG H 1.666 0.001 1 1061 105 105 LEU HD1 H 1.016 0.002 2 1062 105 105 LEU HD2 H 0.984 0.002 2 1063 105 105 LEU C C 174.894 0 1 1064 105 105 LEU CA C 53.983 0.044 1 1065 105 105 LEU CB C 45.125 0.2 1 1066 105 105 LEU CG C 28.003 0.034 1 1067 105 105 LEU CD1 C 25.245 0.029 2 1068 105 105 LEU CD2 C 24.219 0.032 2 1069 105 105 LEU N N 122.636 0.025 1 1070 106 106 PHE H H 8.516 0.006 1 1071 106 106 PHE HA H 5.24 0.006 1 1072 106 106 PHE HB2 H 2.718 0.005 2 1073 106 106 PHE HB3 H 2.718 0.005 2 1074 106 106 PHE C C 173.763 0.002 1 1075 106 106 PHE CA C 57.04 0.046 1 1076 106 106 PHE CB C 42.31 0.032 1 1077 106 106 PHE N N 120.126 0.04 1 1078 107 107 PHE H H 9.512 0.003 1 1079 107 107 PHE HA H 5.771 0.005 1 1080 107 107 PHE HB2 H 2.724 0.001 2 1081 107 107 PHE HB3 H 3.383 0.002 2 1082 107 107 PHE C C 174.681 0 1 1083 107 107 PHE CA C 56.402 0.1 1 1084 107 107 PHE CB C 44.034 0.042 1 1085 107 107 PHE N N 118.081 0.03 1 1086 108 108 TRP H H 9.126 0.005 1 1087 108 108 TRP HA H 6.027 0.007 1 1088 108 108 TRP HB2 H 3.247 0.006 2 1089 108 108 TRP HB3 H 3.415 0.003 2 1090 108 108 TRP HE1 H 10.236 0 1 1091 108 108 TRP C C 172.841 0 1 1092 108 108 TRP CA C 52.942 0.16 1 1093 108 108 TRP CB C 29.828 0.126 1 1094 108 108 TRP N N 118.098 0.04 1 1095 108 108 TRP NE1 N 129.425 0 1 1096 109 109 MET H H 9.074 0.004 1 1097 109 109 MET HA H 4.491 0.004 1 1098 109 109 MET HB2 H 2.671 0.005 2 1099 109 109 MET HB3 H 2.41 0 2 1100 109 109 MET HG2 H 3.242 0.001 2 1101 109 109 MET HG3 H 3.242 0.001 2 1102 109 109 MET HE H 1.253 0 1 1103 109 109 MET C C 172.814 0 1 1104 109 109 MET CA C 56.507 0.049 1 1105 109 109 MET CB C 32.423 0.036 1 1106 109 109 MET CG C 32.685 0 1 1107 109 109 MET CE C 16.446 0 1 1108 109 109 MET N N 120.862 0.026 1 1109 110 110 GLN H H 8.313 0.004 1 1110 110 110 GLN HA H 4.407 0 1 1111 110 110 GLN C C 172.044 0 1 1112 110 110 GLN CA C 53.796 0.06 1 1113 110 110 GLN CB C 29.298 0 1 1114 110 110 GLN N N 117.583 0.039 1 1115 111 111 GLU H H 7.234 0.017 1 1116 111 111 GLU C C 172.972 0 1 1117 111 111 GLU CA C 54.85 0.006 1 1118 111 111 GLU CB C 29.817 0 1 1119 111 111 GLU N N 122.997 0.041 1 1120 112 112 PRO HA H 4.381 0.001 1 1121 112 112 PRO HB2 H 2.071 0 1 1122 112 112 PRO HB3 H 2.444 0.003 2 1123 112 112 PRO HG2 H 2.165 0.011 2 1124 112 112 PRO HG3 H 2.165 0.011 2 1125 112 112 PRO HD2 H 4.113 0 2 1126 112 112 PRO HD3 H 3.824 0 2 1127 112 112 PRO C C 171.141 0 1 1128 112 112 PRO CA C 64.744 0.042 1 1129 112 112 PRO CB C 31.985 0.093 1 1130 112 112 PRO CG C 27.208 0.043 1 1131 112 112 PRO CD C 50.302 0.029 1 1132 113 113 LYS H H 7.953 0.007 1 1133 113 113 LYS HA H 4.785 0.005 1 1134 113 113 LYS HB2 H 1.901 0.012 2 1135 113 113 LYS HB3 H 2.033 0.004 2 1136 113 113 LYS HG2 H 1.533 0.006 2 1137 113 113 LYS HG3 H 1.533 0.006 2 1138 113 113 LYS HD2 H 1.745 0.007 2 1139 113 113 LYS HD3 H 1.745 0.007 2 1140 113 113 LYS HE2 H 3.043 0.008 2 1141 113 113 LYS HE3 H 3.043 0.008 2 1142 113 113 LYS C C 171.266 0.01 1 1143 113 113 LYS CA C 54.313 0.092 1 1144 113 113 LYS CB C 32.891 0.12 1 1145 113 113 LYS CG C 24.576 0.049 1 1146 113 113 LYS CD C 28.661 0.029 1 1147 113 113 LYS CE C 41.74 0.073 1 1148 113 113 LYS N N 115.693 0.038 1 1149 114 114 THR H H 8.587 0.005 1 1150 114 114 THR HA H 4.306 0.014 1 1151 114 114 THR HB H 4.495 0 1 1152 114 114 THR HG2 H 1.229 0.012 1 1153 114 114 THR C C 171.863 0.004 1 1154 114 114 THR CA C 62.774 0.126 1 1155 114 114 THR CB C 69.041 0.146 1 1156 114 114 THR CG2 C 20.507 0.017 1 1157 114 114 THR N N 113.097 0.055 1 1158 115 115 ASP H H 8.324 0.003 1 1159 115 115 ASP HA H 4.327 0.003 1 1160 115 115 ASP HB2 H 2.708 0.003 2 1161 115 115 ASP HB3 H 2.708 0.003 2 1162 115 115 ASP C C 172.407 0 1 1163 115 115 ASP CA C 56.211 0.082 1 1164 115 115 ASP CB C 39.785 0.047 1 1165 115 115 ASP N N 119.587 0.032 1 1166 116 116 GLN H H 8.121 0.006 1 1167 116 116 GLN HA H 4.407 0.006 1 1168 116 116 GLN HB2 H 1.666 0.005 2 1169 116 116 GLN HB3 H 1.78 0.002 2 1170 116 116 GLN HG2 H 2.207 0.005 2 1171 116 116 GLN HG3 H 2.14 0.01 2 1172 116 116 GLN HE21 H 6.781 0.004 2 1173 116 116 GLN HE22 H 7.504 0.003 2 1174 116 116 GLN C C 173.257 0.006 1 1175 116 116 GLN CA C 54.852 0.05 1 1176 116 116 GLN CB C 29.041 0.123 1 1177 116 116 GLN CG C 34.098 0.078 1 1178 116 116 GLN N N 115.588 0.039 1 1179 116 116 GLN NE2 N 112.57 0.122 1 1180 117 117 ASP H H 7.666 0.005 1 1181 117 117 ASP HA H 4.032 0.002 1 1182 117 117 ASP HB2 H 2.926 0 2 1183 117 117 ASP HB3 H 2.926 0 2 1184 117 117 ASP C C 171.162 0.008 1 1185 117 117 ASP CA C 58.455 0.037 1 1186 117 117 ASP CB C 38.941 0.022 1 1187 117 117 ASP N N 122.614 0.057 1 1188 118 118 GLU H H 8.347 0.006 1 1189 118 118 GLU HA H 4.127 0.005 1 1190 118 118 GLU HB2 H 2.069 0.004 2 1191 118 118 GLU HB3 H 2.069 0.004 2 1192 118 118 GLU HG2 H 2.423 0.002 2 1193 118 118 GLU HG3 H 2.317 0.005 2 1194 118 118 GLU C C 169.491 0.003 1 1195 118 118 GLU CA C 58.761 0.074 1 1196 118 118 GLU CB C 28.796 0.117 1 1197 118 118 GLU CG C 36.539 0.03 1 1198 118 118 GLU N N 116.617 0.035 1 1199 119 119 GLU H H 7.814 0.005 1 1200 119 119 GLU HA H 4.09 0.083 1 1201 119 119 GLU HB2 H 1.754 0.009 2 1202 119 119 GLU HB3 H 1.944 0.027 2 1203 119 119 GLU HG2 H 2.174 0.004 2 1204 119 119 GLU HG3 H 1.917 0.004 2 1205 119 119 GLU C C 170.245 0.01 1 1206 119 119 GLU CA C 58.303 0.068 1 1207 119 119 GLU CB C 28.829 0.178 1 1208 119 119 GLU CG C 35.122 0.037 1 1209 119 119 GLU N N 123.075 0.045 1 1210 120 120 HIS H H 8.366 0.007 1 1211 120 120 HIS HA H 4.195 0.003 1 1212 120 120 HIS HB2 H 1.764 0.002 2 1213 120 120 HIS HB3 H 2.53 0.004 2 1214 120 120 HIS C C 172.113 0 1 1215 120 120 HIS CA C 58.639 0.106 1 1216 120 120 HIS CB C 27.989 0.052 1 1217 120 120 HIS N N 118.611 0.082 1 1218 121 121 CYS H H 7.836 0.006 1 1219 121 121 CYS HA H 3.986 0.002 1 1220 121 121 CYS HB2 H 2.633 0.007 2 1221 121 121 CYS HB3 H 3.28 0.005 2 1222 121 121 CYS C C 172.308 0.024 1 1223 121 121 CYS CA C 61.649 0.132 1 1224 121 121 CYS CB C 26.321 0.17 1 1225 121 121 CYS N N 117.055 0.024 1 1226 122 122 ARG H H 8.419 0.006 1 1227 122 122 ARG HA H 4.204 0.004 1 1228 122 122 ARG HB2 H 2.017 0.003 2 1229 122 122 ARG HB3 H 2.017 0.003 2 1230 122 122 ARG HG2 H 1.8 0.003 2 1231 122 122 ARG HG3 H 1.597 0.004 2 1232 122 122 ARG HD2 H 3.28 0.002 2 1233 122 122 ARG HD3 H 3.21 0.005 2 1234 122 122 ARG C C 169.05 0.005 1 1235 122 122 ARG CA C 59.684 0.054 1 1236 122 122 ARG CB C 29.729 0.145 1 1237 122 122 ARG CG C 27.182 0.066 1 1238 122 122 ARG CD C 42.833 0.014 1 1239 122 122 ARG N N 120.309 0.035 1 1240 123 123 LYS H H 8.482 0.008 1 1241 123 123 LYS HA H 3.9 0.004 1 1242 123 123 LYS HB2 H 1.78 0.002 2 1243 123 123 LYS HB3 H 2.158 0.004 2 1244 123 123 LYS HG2 H 1.783 0.003 2 1245 123 123 LYS HG3 H 1.517 0.002 2 1246 123 123 LYS HD2 H 1.805 0 2 1247 123 123 LYS HD3 H 1.805 0 2 1248 123 123 LYS HE2 H 3.047 0.003 2 1249 123 123 LYS HE3 H 3.047 0.003 2 1250 123 123 LYS C C 170.499 0.014 1 1251 123 123 LYS CA C 58.94 0.06 1 1252 123 123 LYS CB C 32.368 0.092 1 1253 123 123 LYS CG C 25.62 0.073 1 1254 123 123 LYS CE C 42.044 0 1 1255 123 123 LYS N N 118.822 0.039 1 1256 124 124 VAL H H 8.107 0.006 1 1257 124 124 VAL HA H 3.454 0.002 1 1258 124 124 VAL HB H 2.114 0.008 1 1259 124 124 VAL HG1 H 0.754 0.001 1 1260 124 124 VAL HG1 H 0.754 0.001 2 1261 124 124 VAL HG2 H 0.419 0.001 2 1262 124 124 VAL C C 171.738 0.012 1 1263 124 124 VAL CA C 66.777 0.062 1 1264 124 124 VAL CB C 30.766 0.079 1 1265 124 124 VAL CG1 C 22.535 0.009 2 1266 124 124 VAL CG2 C 21.082 0.009 2 1267 124 124 VAL N N 117.877 0.045 1 1268 125 125 ASN H H 7.571 0.002 1 1269 125 125 ASN HA H 4.264 0.002 1 1270 125 125 ASN HB2 H 2.859 0 2 1271 125 125 ASN HB3 H 2.859 0 2 1272 125 125 ASN HD21 H 7.408 0 2 1273 125 125 ASN HD22 H 8.938 0 2 1274 125 125 ASN C C 171.491 0 1 1275 125 125 ASN CA C 57.661 0.026 1 1276 125 125 ASN CB C 39.526 0.048 1 1277 125 125 ASN N N 113.782 0.036 1 1278 125 125 ASN ND2 N 119.871 0.009 1 1279 126 126 GLU H H 8.363 0.006 1 1280 126 126 GLU HA H 3.985 0.004 1 1281 126 126 GLU HB2 H 1.782 0 2 1282 126 126 GLU HB3 H 1.921 0.002 2 1283 126 126 GLU HG2 H 2.166 0.006 2 1284 126 126 GLU HG3 H 1.93 0 2 1285 126 126 GLU C C 170.241 0 1 1286 126 126 GLU CA C 59.068 0.035 1 1287 126 126 GLU CB C 28.862 0.126 1 1288 126 126 GLU CG C 34.909 0.038 1 1289 126 126 GLU N N 119.635 0.021 1 1290 127 127 TYR H H 8.138 0.008 1 1291 127 127 TYR HA H 4.35 0.007 1 1292 127 127 TYR HB2 H 2.737 0.012 2 1293 127 127 TYR HB3 H 2.909 0.002 2 1294 127 127 TYR C C 172.335 0.003 1 1295 127 127 TYR CA C 60.703 0.103 1 1296 127 127 TYR CB C 37.749 0.059 1 1297 127 127 TYR N N 115.854 0.023 1 1298 128 128 LEU H H 7.887 0.003 1 1299 128 128 LEU HA H 4.082 0.004 1 1300 128 128 LEU HB2 H 1.415 0.009 2 1301 128 128 LEU HB3 H 1.645 0.006 2 1302 128 128 LEU HG H 2.185 0.004 1 1303 128 128 LEU HD1 H 0.654 0.002 2 1304 128 128 LEU HD2 H 0.514 0.004 2 1305 128 128 LEU C C 169.993 0.024 1 1306 128 128 LEU CA C 56.641 0.074 1 1307 128 128 LEU CB C 40.551 0.15 1 1308 128 128 LEU CG C 25.155 0.013 1 1309 128 128 LEU CD1 C 22.066 0.025 2 1310 128 128 LEU CD2 C 25.496 0.018 2 1311 128 128 LEU N N 111.895 0.05 1 1312 129 129 ASN H H 7.435 0.006 1 1313 129 129 ASN HA H 4.972 0.002 1 1314 129 129 ASN HB2 H 2.881 0 2 1315 129 129 ASN HB3 H 2.881 0 2 1316 129 129 ASN HD21 H 7.197 0 2 1317 129 129 ASN HD22 H 7.659 0 2 1318 129 129 ASN C C 174.067 0.006 1 1319 129 129 ASN CA C 53.963 0.086 1 1320 129 129 ASN CB C 39.868 0.045 1 1321 129 129 ASN N N 110.823 0.047 1 1322 129 129 ASN ND2 N 115.151 0.002 1 1323 130 130 ASN H H 8.258 0.009 1 1324 130 130 ASN HA H 5.088 0.004 1 1325 130 130 ASN HB2 H 2.694 0.006 2 1326 130 130 ASN HB3 H 2.814 0.005 2 1327 130 130 ASN HD21 H 6.827 0 2 1328 130 130 ASN HD22 H 7.629 0 2 1329 130 130 ASN C C 178.042 0 1 1330 130 130 ASN CA C 51.344 0.092 1 1331 130 130 ASN CB C 38.672 0.019 1 1332 130 130 ASN N N 119.631 0.038 1 1333 130 130 ASN ND2 N 112.809 0.001 1 1334 132 132 PRO HA H 4.477 0.009 1 1335 132 132 PRO HB2 H 2.043 0.005 2 1336 132 132 PRO HB3 H 2.301 0.006 2 1337 132 132 PRO HG2 H 2.099 0 2 1338 132 132 PRO HG3 H 2.099 0 2 1339 132 132 PRO HD2 H 3.825 0.005 2 1340 132 132 PRO HD3 H 3.524 0.002 2 1341 132 132 PRO C C 172.136 0.004 1 1342 132 132 PRO CA C 62.364 0.047 1 1343 132 132 PRO CB C 31.342 0.093 1 1344 132 132 PRO CG C 27.033 0.069 1 1345 132 132 PRO CD C 50.083 0.082 1 1346 133 133 MET H H 8.414 0.002 1 1347 133 133 MET HA H 4.863 0.004 1 1348 133 133 MET HB2 H 1.956 0.003 2 1349 133 133 MET HB3 H 2.072 0.005 2 1350 133 133 MET HG2 H 2.69 0.004 2 1351 133 133 MET HG3 H 2.6 0.003 2 1352 133 133 MET HE H 2.132 0 1 1353 133 133 MET C C 174.157 0 1 1354 133 133 MET CA C 52.602 0.063 1 1355 133 133 MET CB C 32.3 0.08 1 1356 133 133 MET CG C 31.659 0.019 1 1357 133 133 MET CE C 16.783 0 1 1358 133 133 MET N N 121.509 0.053 1 1359 134 134 PRO HA H 4.362 0.004 1 1360 134 134 PRO HB2 H 1.913 0.004 2 1361 134 134 PRO HB3 H 2.271 0.009 2 1362 134 134 PRO HG2 H 2.051 0.007 2 1363 134 134 PRO HG3 H 2.051 0.007 2 1364 134 134 PRO HD2 H 3.876 0.002 2 1365 134 134 PRO HD3 H 3.682 0.007 2 1366 134 134 PRO C C 171.134 0 1 1367 134 134 PRO CA C 63.278 0.042 1 1368 134 134 PRO CB C 31.591 0.042 1 1369 134 134 PRO CG C 27.038 0.065 1 1370 134 134 PRO CD C 50.627 0.034 1 1371 135 135 GLY H H 8.504 0.005 1 1372 135 135 GLY HA2 H 3.923 0.004 2 1373 135 135 GLY HA3 H 3.923 0.004 2 1374 135 135 GLY C C 174.568 0.011 1 1375 135 135 GLY CA C 45.026 0.047 1 1376 135 135 GLY N N 109.582 0.043 1 1377 136 136 ALA H H 8.086 0.003 1 1378 136 136 ALA HA H 4.311 0.004 1 1379 136 136 ALA HB H 1.407 0.003 1 1380 136 136 ALA C C 170.727 0 1 1381 136 136 ALA CA C 52.343 0.022 1 1382 136 136 ALA CB C 18.975 0.031 1 1383 136 136 ALA N N 123.487 0.059 1 1384 137 137 LEU H H 8.268 0.002 1 1385 137 137 LEU HA H 4.327 0 1 1386 137 137 LEU HB2 H 1.644 0 2 1387 137 137 LEU HB3 H 0.883 0 2 1388 137 137 LEU HG H 0.891 0 1 1389 137 137 LEU HD1 H 1.169 0 2 1390 137 137 LEU HD2 H 0.602 0 2 1391 137 137 LEU C C 170.637 0.014 1 1392 137 137 LEU CA C 55.102 0.042 1 1393 137 137 LEU CB C 41.522 0.036 1 1394 137 137 LEU CG C 26.63 0 1 1395 137 137 LEU CD1 C 24.447 0 2 1396 137 137 LEU CD2 C 23.043 0 2 1397 137 137 LEU N N 120.911 0.05 1 1398 138 138 GLY H H 8.316 0.004 1 1399 138 138 GLY HA2 H 3.926 0.005 2 1400 138 138 GLY HA3 H 3.926 0.005 2 1401 138 138 GLY C C 174.661 0.001 1 1402 138 138 GLY CA C 44.994 0.06 1 1403 138 138 GLY N N 109.339 0.055 1 1404 139 139 ALA H H 8.161 0.002 1 1405 139 139 ALA HA H 4.349 0.008 1 1406 139 139 ALA HB H 1.385 0.006 1 1407 139 139 ALA C C 170.635 0.004 1 1408 139 139 ALA CA C 52.338 0.08 1 1409 139 139 ALA CB C 18.953 0.038 1 1410 139 139 ALA N N 123.78 0.077 1 1411 140 140 SER H H 8.366 0.002 1 1412 140 140 SER HA H 4.435 0 1 1413 140 140 SER HB2 H 3.898 0 2 1414 140 140 SER HB3 H 3.898 0 2 1415 140 140 SER C C 173.467 0.006 1 1416 140 140 SER CA C 58.406 0.043 1 1417 140 140 SER CB C 63.707 0.045 1 1418 140 140 SER N N 115.047 0.058 1 1419 141 141 GLY H H 8.388 0.004 1 1420 141 141 GLY HA2 H 4.005 0.001 2 1421 141 141 GLY HA3 H 4.005 0.001 2 1422 141 141 GLY C C 174.405 0.006 1 1423 141 141 GLY CA C 45.168 0.061 1 1424 141 141 GLY N N 110.701 0.071 1 1425 142 142 SER H H 8.231 0.002 1 1426 142 142 SER HA H 4.511 0.003 1 1427 142 142 SER HB2 H 3.879 0.003 2 1428 142 142 SER HB3 H 3.879 0.003 2 1429 142 142 SER C C 173.891 0 1 1430 142 142 SER CA C 58.095 0.033 1 1431 142 142 SER CB C 63.81 0.058 1 1432 142 142 SER N N 115.533 0.081 1 1433 143 143 SER H H 8.461 0.003 1 1434 143 143 SER HA H 4.47 0.005 1 1435 143 143 SER HB2 H 3.882 0.001 2 1436 143 143 SER HB3 H 3.882 0.001 2 1437 143 143 SER C C 173.661 0.01 1 1438 143 143 SER CA C 58.448 0.085 1 1439 143 143 SER CB C 63.769 0.017 1 1440 143 143 SER N N 117.83 0.054 1 1441 144 144 GLY H H 8.451 0.005 1 1442 144 144 GLY HA2 H 3.931 0 2 1443 144 144 GLY HA3 H 3.931 0 2 1444 144 144 GLY C C 174.643 0.002 1 1445 144 144 GLY CA C 45.121 0.04 1 1446 144 144 GLY N N 110.487 0.051 1 1447 145 145 HIS H H 8.22 0.003 1 1448 145 145 HIS HA H 4.665 0.003 1 1449 145 145 HIS HB2 H 3.192 0.012 2 1450 145 145 HIS HB3 H 3.068 0.002 2 1451 145 145 HIS C C 173.819 0.003 1 1452 145 145 HIS CA C 55.506 0.079 1 1453 145 145 HIS CB C 29.617 0.114 1 1454 145 145 HIS N N 118.579 0.094 1 1455 146 146 GLU H H 8.584 0.008 1 1456 146 146 GLU HA H 4.244 0.001 1 1457 146 146 GLU HB2 H 1.922 0.002 2 1458 146 146 GLU HB3 H 2.018 0.003 2 1459 146 146 GLU HG2 H 2.23 0.003 2 1460 146 146 GLU HG3 H 2.23 0.003 2 1461 146 146 GLU C C 172.144 0.004 1 1462 146 146 GLU CA C 56.564 0.091 1 1463 146 146 GLU CB C 29.544 0.069 1 1464 146 146 GLU CG C 35.79 0.046 1 1465 146 146 GLU N N 121.988 0.031 1 1466 147 147 LEU H H 8.354 0.003 1 1467 147 147 LEU HA H 4.342 0.005 1 1468 147 147 LEU HB2 H 1.624 0.007 2 1469 147 147 LEU HB3 H 1.624 0.007 2 1470 147 147 LEU HG H 1.634 0.005 1 1471 147 147 LEU HD1 H 0.915 0.002 2 1472 147 147 LEU HD2 H 0.864 0.001 2 1473 147 147 LEU C C 171.298 0.003 1 1474 147 147 LEU CA C 54.975 0.035 1 1475 147 147 LEU CB C 41.75 0.171 1 1476 147 147 LEU CG C 26.597 0.04 1 1477 147 147 LEU CD1 C 24.491 0.034 2 1478 147 147 LEU CD2 C 23.033 0.013 2 1479 147 147 LEU N N 123.032 0.047 1 1480 148 148 SER H H 8.218 0.003 1 1481 148 148 SER HA H 4.406 0.001 1 1482 148 148 SER HB2 H 3.845 0.001 2 1483 148 148 SER HB3 H 3.845 0.001 2 1484 148 148 SER C C 174.769 0.004 1 1485 148 148 SER CA C 58.035 0.02 1 1486 148 148 SER CB C 63.699 0.058 1 1487 148 148 SER N N 116.267 0.072 1 1488 149 149 ALA H H 8.25 0.003 1 1489 149 149 ALA HA H 4.367 0.004 1 1490 149 149 ALA HB H 1.377 0.008 1 1491 149 149 ALA C C 172.225 0.001 1 1492 149 149 ALA CA C 52.072 0.043 1 1493 149 149 ALA CB C 18.934 0.042 1 1494 149 149 ALA N N 126.608 0.048 1 1495 150 150 LEU H H 7.761 0.003 1 1496 150 150 LEU HA H 4.148 0.001 1 1497 150 150 LEU HB2 H 1.566 0.005 2 1498 150 150 LEU HB3 H 1.566 0.005 2 1499 150 150 LEU HG H 1.591 0.004 1 1500 150 150 LEU HD1 H 0.891 0.001 2 1501 150 150 LEU HD2 H 0.849 0.003 2 1502 150 150 LEU C C 166.222 0 1 1503 150 150 LEU CA C 56.351 0.082 1 1504 150 150 LEU CB C 42.92 0.105 1 1505 150 150 LEU CG C 26.776 0.046 1 1506 150 150 LEU CD1 C 24.677 0.077 2 1507 150 150 LEU CD2 C 23.095 0.013 2 1508 150 150 LEU N N 126.935 0.046 1 stop_ save_