data_7172 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 13C and 15N resonance assignments of C-terminal domain of an actin monomer binding protein twinfilin ; _BMRB_accession_number 7172 _BMRB_flat_file_name bmr7172.str _Entry_type original _Submission_date 2006-06-16 _Accession_date 2006-06-16 _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 Hellman Maarit H. . 2 Paavilainen Ville O. . 3 Annila Arto . . 4 Lappalainen Pekka . . 5 Permi Perttu I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 891 "13C chemical shifts" 667 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update BMRB 'complete entry citation' 2007-01-10 original author 'original release' stop_ _Original_release_date 2006-06-16 save_ ############################# # Citation for this entry # ############################# save_reference_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignment of the C-terminal ADF-H domain of an actin monomer binding protein, twinfilin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16924408 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hellman Maarit H. . 2 Paavilainen Ville O. . 3 Annila Arto . . 4 Lappalainen Pekka . . 5 Permi Perttu I. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 66 _Page_last 66 _Year 2006 _Details . loop_ _Keyword ADF-H twinfilin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of twinfilin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal domain of twinfilin' $Twf-C stop_ _System_molecular_weight 16617 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Actin binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Twf-C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Twf-C _Molecular_mass 16617 _Mol_thiol_state 'all free' loop_ _Biological_function 'Actin binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; AQGVAFPISRDAFQALEKLS KKQLNYVQLEIDIKNETIIL ANTENTELRDLPKRIPKDSA RYHFFLYKHSHEGDYLESVV FIYSMPGYTCSIRERMLYSS CKSPLLEIVERQLQMDVIRK IEIDNGDELTADFLYDEVHP KQ ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 GLY 4 VAL 5 ALA 6 PHE 7 PRO 8 ILE 9 SER 10 ARG 11 ASP 12 ALA 13 PHE 14 GLN 15 ALA 16 LEU 17 GLU 18 LYS 19 LEU 20 SER 21 LYS 22 LYS 23 GLN 24 LEU 25 ASN 26 TYR 27 VAL 28 GLN 29 LEU 30 GLU 31 ILE 32 ASP 33 ILE 34 LYS 35 ASN 36 GLU 37 THR 38 ILE 39 ILE 40 LEU 41 ALA 42 ASN 43 THR 44 GLU 45 ASN 46 THR 47 GLU 48 LEU 49 ARG 50 ASP 51 LEU 52 PRO 53 LYS 54 ARG 55 ILE 56 PRO 57 LYS 58 ASP 59 SER 60 ALA 61 ARG 62 TYR 63 HIS 64 PHE 65 PHE 66 LEU 67 TYR 68 LYS 69 HIS 70 SER 71 HIS 72 GLU 73 GLY 74 ASP 75 TYR 76 LEU 77 GLU 78 SER 79 VAL 80 VAL 81 PHE 82 ILE 83 TYR 84 SER 85 MET 86 PRO 87 GLY 88 TYR 89 THR 90 CYS 91 SER 92 ILE 93 ARG 94 GLU 95 ARG 96 MET 97 LEU 98 TYR 99 SER 100 SER 101 CYS 102 LYS 103 SER 104 PRO 105 LEU 106 LEU 107 GLU 108 ILE 109 VAL 110 GLU 111 ARG 112 GLN 113 LEU 114 GLN 115 MET 116 ASP 117 VAL 118 ILE 119 ARG 120 LYS 121 ILE 122 GLU 123 ILE 124 ASP 125 ASN 126 GLY 127 ASP 128 GLU 129 LEU 130 THR 131 ALA 132 ASP 133 PHE 134 LEU 135 TYR 136 ASP 137 GLU 138 VAL 139 HIS 140 PRO 141 LYS 142 GLN 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 _Cell_type $Twf-C 'House mouse' 10090 Eukaryota Metazoa Mus musculus Non-muscle stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Twf-C 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pRat4 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 $Twf-C 1 mM '[U-13C; U-15N]' Bis-Tris 10 mM . 'Sodium Chloride' 50 mM . Dithiothreitol 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version '6.1 C' loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_Spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label $sample_1 save_ save_13C-(CT)-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-(CT)-HSQC _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_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_HC(C)H-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-COSY _Sample_label $sample_1 save_ save_H(C)CH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label $sample_1 save_ save_(H)C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _Sample_label $sample_1 save_ save_H(C)(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)(CO)NH _Sample_label $sample_1 save_ save_(HB)CB(CGCDCE)HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_DE-MQ-(H)CCmHm-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name DE-MQ-(H)CCmHm-TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 60 0.01 mM pH 6.8 0.05 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label 15N-HSQC 13C-HSQC 13C-(CT)-HSQC '3D HNCA' '3D HN(CO)CA' HNCACB CBCA(CO)NH HNCO HN(CA)CO HC(C)H-COSY H(C)CH-TOCSY (H)C(CO)NH H(C)(CO)NH (HB)CB(CGCDCE)HE (HB)CB(CGCD)HD DE-MQ-(H)CCmHm-TOCSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'C-terminal domain of twinfilin' _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 ALA H H 8.334 0.004 1 2 1 1 ALA HA H 4.283 0.138 1 3 1 1 ALA HB H 1.373 0.007 1 4 1 1 ALA C C 177.649 0.02 1 5 1 1 ALA CA C 52.196 0.163 1 6 1 1 ALA CB C 19.337 0.027 1 7 1 1 ALA N N 125.576 0.016 1 8 2 2 GLN H H 8.302 0.004 1 9 2 2 GLN HA H 4.335 0.006 1 10 2 2 GLN HB2 H 2.065 0.005 2 11 2 2 GLN HB3 H 1.98 0.007 2 12 2 2 GLN HG2 H 2.354 0.003 1 13 2 2 GLN HG3 H 2.354 0.003 1 14 2 2 GLN HE21 H 7.534 0.02 2 15 2 2 GLN HE22 H 6.848 0.02 2 16 2 2 GLN C C 176.094 0.02 1 17 2 2 GLN CA C 56.066 0.051 1 18 2 2 GLN CB C 29.638 0.059 1 19 2 2 GLN CG C 33.835 0.012 1 20 2 2 GLN CD C 180.48 0.01 1 21 2 2 GLN N N 119.594 0.026 1 22 2 2 GLN NE2 N 112.942 0.001 1 23 3 3 GLY H H 8.501 0.004 1 24 3 3 GLY HA2 H 3.944 0.02 1 25 3 3 GLY HA3 H 3.944 0.02 1 26 3 3 GLY C C 173.542 0.02 1 27 3 3 GLY CA C 45.146 0.041 1 28 3 3 GLY N N 111.519 0.008 1 29 4 4 VAL H H 7.82 0.004 1 30 4 4 VAL HA H 4.048 0.005 1 31 4 4 VAL HB H 1.89 0.005 1 32 4 4 VAL HG1 H 0.742 0.023 2 33 4 4 VAL HG2 H 0.761 0.036 2 34 4 4 VAL C C 174.923 0.02 1 35 4 4 VAL CA C 61.799 0.03 1 36 4 4 VAL CB C 33.155 0.035 1 37 4 4 VAL CG1 C 21.373 0.024 2 38 4 4 VAL CG2 C 20.468 0.016 2 39 4 4 VAL N N 119.825 0.034 1 40 5 5 ALA H H 8.264 0.005 1 41 5 5 ALA HA H 4.333 0.005 1 42 5 5 ALA HB H 1.251 0.004 1 43 5 5 ALA C C 176.506 0.02 1 44 5 5 ALA CA C 51.713 0.035 1 45 5 5 ALA CB C 19.671 0.068 1 46 5 5 ALA N N 128.097 0.018 1 47 6 6 PHE H H 7.765 0.005 1 48 6 6 PHE HA H 4.999 0.02 1 49 6 6 PHE HB2 H 2.915 0.001 1 50 6 6 PHE HB3 H 2.915 0.001 1 51 6 6 PHE HD1 H 6.991 0.006 1 52 6 6 PHE HD2 H 6.991 0.006 1 53 6 6 PHE HE1 H 7.058 0.02 1 54 6 6 PHE HE2 H 7.058 0.02 1 55 6 6 PHE CA C 53.842 0.065 1 56 6 6 PHE CB C 39.208 0.044 1 57 6 6 PHE CD1 C 130.809 0.02 1 58 6 6 PHE CD2 C 130.809 0.02 1 59 6 6 PHE CE1 C 130.852 0.02 1 60 6 6 PHE CE2 C 130.852 0.02 1 61 6 6 PHE N N 122.785 0.007 1 62 7 7 PRO HA H 4.484 0.002 1 63 7 7 PRO HB2 H 2.172 0.005 2 64 7 7 PRO HB3 H 1.937 0.006 2 65 7 7 PRO HG2 H 1.976 0.009 1 66 7 7 PRO HG3 H 1.976 0.009 1 67 7 7 PRO HD2 H 3.899 0.003 2 68 7 7 PRO HD3 H 3.702 0.003 2 69 7 7 PRO CA C 62.612 0.006 1 70 7 7 PRO CB C 32.266 0.019 1 71 7 7 PRO CG C 27.432 0.007 1 72 7 7 PRO CD C 50.537 0.028 1 73 8 8 ILE HA H 4.766 0.02 1 74 8 8 ILE HB H 1.669 0.02 1 75 8 8 ILE HG12 H 1.703 0.006 2 76 8 8 ILE HG13 H 1.105 0.004 2 77 8 8 ILE HG2 H 0.943 0.025 1 78 8 8 ILE HD1 H 0.773 0.008 1 79 8 8 ILE C C 176.112 0.02 1 80 8 8 ILE CA C 59.682 0.022 1 81 8 8 ILE CB C 40.645 0.224 1 82 8 8 ILE CG1 C 28.655 0.015 1 83 8 8 ILE CG2 C 17.518 0.002 1 84 8 8 ILE CD1 C 14.628 0.015 1 85 9 9 SER H H 8.944 0.005 1 86 9 9 SER HA H 4.396 0.002 1 87 9 9 SER HB2 H 4.469 0.02 2 88 9 9 SER HB3 H 4.117 0.001 2 89 9 9 SER C C 174.605 0.02 1 90 9 9 SER CA C 58.34 0.046 1 91 9 9 SER CB C 64.859 0.036 1 92 9 9 SER N N 124.554 0.01 1 93 10 10 ARG H H 9.016 0.005 1 94 10 10 ARG HA H 4.156 0.004 1 95 10 10 ARG HB2 H 1.911 0.005 1 96 10 10 ARG HB3 H 1.911 0.005 1 97 10 10 ARG HG2 H 1.776 0.007 2 98 10 10 ARG HG3 H 1.661 0.005 2 99 10 10 ARG HD2 H 3.223 0.02 1 100 10 10 ARG HD3 H 3.223 0.02 1 101 10 10 ARG HE H 7.178 0.008 1 102 10 10 ARG C C 179.012 0.02 1 103 10 10 ARG CA C 59.708 0.013 1 104 10 10 ARG CB C 29.692 0.038 1 105 10 10 ARG CG C 26.888 0.03 1 106 10 10 ARG CD C 43.486 0.02 1 107 10 10 ARG N N 123.533 0.011 1 108 10 10 ARG NE N 84.963 0.009 1 109 11 11 ASP H H 8.799 0.005 1 110 11 11 ASP HA H 4.421 0.005 1 111 11 11 ASP HB2 H 2.642 0.002 1 112 11 11 ASP HB3 H 2.642 0.002 1 113 11 11 ASP C C 179.429 0.02 1 114 11 11 ASP CA C 56.837 0.038 1 115 11 11 ASP CB C 39.636 0.028 1 116 11 11 ASP N N 117.123 0.027 1 117 12 12 ALA H H 7.9 0.005 1 118 12 12 ALA HA H 3.976 0.003 1 119 12 12 ALA HB H 1.34 0.004 1 120 12 12 ALA C C 178.148 0.02 1 121 12 12 ALA CA C 55.55 0.057 1 122 12 12 ALA CB C 18.375 0.009 1 123 12 12 ALA N N 124.361 0.021 1 124 13 13 PHE H H 8.634 0.005 1 125 13 13 PHE HA H 3.799 0.002 1 126 13 13 PHE HB2 H 2.987 0.005 2 127 13 13 PHE HB3 H 3.259 0.007 2 128 13 13 PHE HD1 H 7.022 0.003 1 129 13 13 PHE HD2 H 7.022 0.003 1 130 13 13 PHE HE1 H 7.161 0.005 1 131 13 13 PHE HE2 H 7.161 0.005 1 132 13 13 PHE HZ H 7.136 0.02 1 133 13 13 PHE C C 177.656 0.02 1 134 13 13 PHE CA C 62.83 0.022 1 135 13 13 PHE CB C 39.487 0.034 1 136 13 13 PHE CD1 C 131.417 0.02 1 137 13 13 PHE CD2 C 131.417 0.02 1 138 13 13 PHE CE1 C 131.356 0.02 1 139 13 13 PHE CE2 C 131.356 0.02 1 140 13 13 PHE CZ C 130.109 0.02 1 141 13 13 PHE N N 120.139 0.03 1 142 14 14 GLN H H 8.628 0.005 1 143 14 14 GLN HA H 4.135 0.004 1 144 14 14 GLN HB2 H 2.222 0.004 2 145 14 14 GLN HB3 H 2.076 0.006 2 146 14 14 GLN HG2 H 2.726 0.004 2 147 14 14 GLN HG3 H 2.447 0.005 2 148 14 14 GLN HE21 H 7.609 0.02 2 149 14 14 GLN HE22 H 6.868 0.02 2 150 14 14 GLN C C 178.842 0.02 1 151 14 14 GLN CA C 58.854 0.049 1 152 14 14 GLN CB C 28.77 0.053 1 153 14 14 GLN CG C 34.995 0.006 1 154 14 14 GLN CD C 180.27 0.01 1 155 14 14 GLN N N 116.738 0.014 1 156 14 14 GLN NE2 N 112.104 0.001 1 157 15 15 ALA H H 7.759 0.005 1 158 15 15 ALA HA H 4.084 0.001 1 159 15 15 ALA HB H 1.461 0.008 1 160 15 15 ALA C C 179.128 0.02 1 161 15 15 ALA CA C 55.222 0.024 1 162 15 15 ALA CB C 19.601 0.038 1 163 15 15 ALA N N 123.082 0.034 1 164 16 16 LEU H H 7.863 0.004 1 165 16 16 LEU HA H 3.661 0.003 1 166 16 16 LEU HB2 H 1.694 0.007 2 167 16 16 LEU HB3 H 0.678 0.008 2 168 16 16 LEU HG H 1.607 0.006 1 169 16 16 LEU HD1 H 0.377 0.005 2 170 16 16 LEU HD2 H -0.011 0.006 2 171 16 16 LEU C C 178.723 0.02 1 172 16 16 LEU CA C 57.713 0.008 1 173 16 16 LEU CB C 41.36 0.025 1 174 16 16 LEU CG C 26.276 0.003 1 175 16 16 LEU CD1 C 25.093 0.024 2 176 16 16 LEU CD2 C 22.184 0.02 2 177 16 16 LEU N N 118.99 0.012 1 178 17 17 GLU H H 8.393 0.004 1 179 17 17 GLU HA H 3.69 0.005 1 180 17 17 GLU HB2 H 2.062 0.016 2 181 17 17 GLU HB3 H 1.906 0.007 2 182 17 17 GLU HG2 H 1.932 0.008 2 183 17 17 GLU HG3 H 2.086 0.005 2 184 17 17 GLU C C 180.357 0.02 1 185 17 17 GLU CA C 59.792 0.035 1 186 17 17 GLU CB C 29.474 0.028 1 187 17 17 GLU CG C 36.81 0.074 1 188 17 17 GLU N N 121.328 0.009 1 189 18 18 LYS H H 8.085 0.005 1 190 18 18 LYS HA H 3.902 0.001 1 191 18 18 LYS HB2 H 2.12 0.007 2 192 18 18 LYS HB3 H 1.579 0.012 2 193 18 18 LYS HG2 H 1.444 0.005 2 194 18 18 LYS HG3 H 1.75 0.004 2 195 18 18 LYS HD2 H 1.767 0.004 1 196 18 18 LYS HD3 H 1.767 0.004 1 197 18 18 LYS HE2 H 2.91 0.022 1 198 18 18 LYS HE3 H 2.91 0.022 1 199 18 18 LYS C C 179.826 0.02 1 200 18 18 LYS CA C 60.62 0.022 1 201 18 18 LYS CB C 32.877 0.038 1 202 18 18 LYS CG C 26.356 0.031 1 203 18 18 LYS CD C 29.815 0.013 1 204 18 18 LYS CE C 42.327 0.02 1 205 18 18 LYS N N 121.167 0.017 1 206 19 19 LEU H H 8.358 0.005 1 207 19 19 LEU HA H 4.146 0.006 1 208 19 19 LEU HB2 H 1.279 0.006 2 209 19 19 LEU HB3 H 1.932 0.009 2 210 19 19 LEU HG H 1.478 0.004 1 211 19 19 LEU HD1 H 0.699 0.004 2 212 19 19 LEU HD2 H 0.736 0.002 2 213 19 19 LEU C C 180.147 0.02 1 214 19 19 LEU CA C 58.686 0.024 1 215 19 19 LEU CB C 41.134 0.026 1 216 19 19 LEU CG C 27.083 0.015 1 217 19 19 LEU CD1 C 28.578 0.013 2 218 19 19 LEU CD2 C 24.612 0.022 2 219 19 19 LEU N N 123.62 0.018 1 220 20 20 SER H H 8.428 0.004 1 221 20 20 SER HA H 4.179 0.001 1 222 20 20 SER HB2 H 4.029 0.005 1 223 20 20 SER HB3 H 4.029 0.005 1 224 20 20 SER C C 175.182 0.02 1 225 20 20 SER CA C 61.72 0.063 1 226 20 20 SER CB C 62.788 0.056 1 227 20 20 SER N N 117.759 0.01 1 228 21 21 LYS H H 7.187 0.005 1 229 21 21 LYS HA H 4.44 0.002 1 230 21 21 LYS HB2 H 2.165 0.005 2 231 21 21 LYS HB3 H 1.606 0.007 2 232 21 21 LYS HG2 H 1.514 0.001 2 233 21 21 LYS HG3 H 1.433 0.009 2 234 21 21 LYS HD2 H 1.618 0.01 2 235 21 21 LYS HD3 H 1.533 0.005 2 236 21 21 LYS HE2 H 2.884 0.006 1 237 21 21 LYS HE3 H 2.884 0.006 1 238 21 21 LYS C C 175.434 0.02 1 239 21 21 LYS CA C 55.765 0.03 1 240 21 21 LYS CB C 32.918 0.02 1 241 21 21 LYS CG C 25.438 0.023 1 242 21 21 LYS CD C 29.113 0.018 1 243 21 21 LYS CE C 42.515 0.149 1 244 21 21 LYS N N 120.293 0.006 1 245 22 22 LYS H H 8.413 0.006 1 246 22 22 LYS HA H 3.933 0.004 1 247 22 22 LYS HB2 H 2.189 0.006 2 248 22 22 LYS HB3 H 1.954 0.008 2 249 22 22 LYS HG2 H 1.426 0.005 2 250 22 22 LYS HG3 H 1.313 0.008 2 251 22 22 LYS HD2 H 1.837 0.008 2 252 22 22 LYS HD3 H 1.694 0.007 2 253 22 22 LYS HE2 H 3.026 0.007 1 254 22 22 LYS HE3 H 3.026 0.007 1 255 22 22 LYS C C 176.002 0.02 1 256 22 22 LYS CA C 58.236 0.009 1 257 22 22 LYS CB C 28.516 0.059 1 258 22 22 LYS CG C 25.891 0.026 1 259 22 22 LYS CD C 29.454 0.014 1 260 22 22 LYS CE C 42.571 0.01 1 261 22 22 LYS N N 115.833 0.021 1 262 23 23 GLN H H 8.515 0.006 1 263 23 23 GLN HA H 4.272 0.004 1 264 23 23 GLN HB2 H 2.177 0.005 2 265 23 23 GLN HB3 H 1.784 0.01 2 266 23 23 GLN HG2 H 2.312 0.006 2 267 23 23 GLN HG3 H 2.389 0.001 2 268 23 23 GLN HE21 H 7.44 0.02 2 269 23 23 GLN HE22 H 6.77 0.02 2 270 23 23 GLN C C 175.994 0.02 1 271 23 23 GLN CA C 56.267 0.024 1 272 23 23 GLN CB C 29.316 0.048 1 273 23 23 GLN CG C 34.172 0.018 1 274 23 23 GLN CD C 179.52 0.02 1 275 23 23 GLN N N 117.002 0.028 1 276 23 23 GLN NE2 N 111.049 0.001 1 277 24 24 LEU H H 7.311 0.006 1 278 24 24 LEU HA H 4.536 0.003 1 279 24 24 LEU HB2 H 1.176 0.009 2 280 24 24 LEU HB3 H 1.692 0.011 2 281 24 24 LEU HG H 1.45 0.009 1 282 24 24 LEU HD1 H 1.044 0.005 2 283 24 24 LEU HD2 H 1.195 0.007 2 284 24 24 LEU C C 174.888 0.02 1 285 24 24 LEU CA C 53.587 0.029 1 286 24 24 LEU CB C 46.978 0.037 1 287 24 24 LEU CG C 27.517 0.029 1 288 24 24 LEU CD1 C 26.598 0.004 2 289 24 24 LEU CD2 C 23.321 0.026 2 290 24 24 LEU N N 117.339 0.028 1 291 25 25 ASN H H 7.895 0.005 1 292 25 25 ASN HA H 4.829 0.003 1 293 25 25 ASN HB2 H 3.582 0.007 2 294 25 25 ASN HB3 H 2.679 0.006 2 295 25 25 ASN HD21 H 6.915 0.02 2 296 25 25 ASN HD22 H 7.302 0.02 2 297 25 25 ASN C C 174.292 0.02 1 298 25 25 ASN CA C 51.828 0.056 1 299 25 25 ASN CB C 40.271 0.01 1 300 25 25 ASN CG C 177.46 0.03 1 301 25 25 ASN N N 111.511 0.009 1 302 25 25 ASN ND2 N 112.528 0.003 1 303 26 26 TYR H H 7.666 0.005 1 304 26 26 TYR HA H 5.487 0.006 1 305 26 26 TYR HB2 H 3.562 0.001 2 306 26 26 TYR HB3 H 3.139 0.002 2 307 26 26 TYR HD1 H 7.098 0.186 1 308 26 26 TYR HD2 H 7.098 0.186 1 309 26 26 TYR C C 172.777 0.02 1 310 26 26 TYR CA C 58.647 0.034 1 311 26 26 TYR CB C 40.568 0.018 1 312 26 26 TYR CD1 C 133.397 0.02 1 313 26 26 TYR CD2 C 133.397 0.02 1 314 26 26 TYR N N 121.218 0.037 1 315 27 27 VAL H H 8.292 0.006 1 316 27 27 VAL HA H 4.181 0.002 1 317 27 27 VAL HB H 1.738 0.009 1 318 27 27 VAL HG1 H 0.765 0.008 2 319 27 27 VAL HG2 H 0.672 0.005 2 320 27 27 VAL C C 172.974 0.02 1 321 27 27 VAL CA C 61.395 0.064 1 322 27 27 VAL CB C 37.342 0.043 1 323 27 27 VAL CG1 C 23.706 0.035 2 324 27 27 VAL CG2 C 21.974 0.001 2 325 27 27 VAL N N 123.343 0.012 1 326 28 28 GLN H H 8.944 0.005 1 327 28 28 GLN HA H 5.151 0.007 1 328 28 28 GLN HB2 H 2.5 0.002 2 329 28 28 GLN HB3 H 2.149 0.012 2 330 28 28 GLN HG2 H 2.414 0.001 2 331 28 28 GLN HG3 H 1.747 0.01 2 332 28 28 GLN HE21 H 8.702 0.02 2 333 28 28 GLN HE22 H 7.091 0.02 2 334 28 28 GLN C C 175.167 0.02 1 335 28 28 GLN CA C 53.845 0.057 1 336 28 28 GLN CB C 33.508 0.009 1 337 28 28 GLN CG C 37.048 0.011 1 338 28 28 GLN CD C 178.848 0.01 1 339 28 28 GLN N N 127.798 0.006 1 340 28 28 GLN NE2 N 111.062 0.001 1 341 29 29 LEU H H 9.22 0.008 1 342 29 29 LEU HA H 5.415 0.001 1 343 29 29 LEU HB2 H 1.958 0.009 2 344 29 29 LEU HB3 H 1.755 0.009 2 345 29 29 LEU HG H 1.686 0.008 1 346 29 29 LEU HD1 H 1.025 0.005 2 347 29 29 LEU HD2 H 0.852 0.004 2 348 29 29 LEU C C 173.88 0.02 1 349 29 29 LEU CA C 53.392 0.086 1 350 29 29 LEU CB C 45.458 0.019 1 351 29 29 LEU CG C 27.273 0.022 1 352 29 29 LEU CD1 C 27.697 0.022 2 353 29 29 LEU CD2 C 24.911 0.013 2 354 29 29 LEU N N 127.589 0.011 1 355 30 30 GLU H H 8.67 0.001 1 356 30 30 GLU HA H 5.057 0.004 1 357 30 30 GLU HB2 H 2.005 0.006 2 358 30 30 GLU HB3 H 1.709 0.008 2 359 30 30 GLU HG2 H 2.021 0.007 2 360 30 30 GLU HG3 H 1.894 0.004 2 361 30 30 GLU C C 173.673 0.02 1 362 30 30 GLU CA C 53.228 0.033 1 363 30 30 GLU CB C 35.455 0.057 1 364 30 30 GLU CG C 35.801 0.045 1 365 30 30 GLU N N 120.796 0.027 1 366 31 31 ILE H H 8.43 0.006 1 367 31 31 ILE HA H 4.216 0.001 1 368 31 31 ILE HB H 1.15 0.006 1 369 31 31 ILE HG12 H 0.925 0.007 2 370 31 31 ILE HG13 H 0.484 0.01 2 371 31 31 ILE HG2 H 0.528 0.01 1 372 31 31 ILE HD1 H -0.137 0.006 1 373 31 31 ILE C C 175.264 0.02 1 374 31 31 ILE CA C 61.438 0.043 1 375 31 31 ILE CB C 38.9 0.039 1 376 31 31 ILE CG1 C 28.66 0.03 1 377 31 31 ILE CG2 C 17.48 0.02 1 378 31 31 ILE CD1 C 12.686 0.021 1 379 31 31 ILE N N 122.158 0.021 1 380 32 32 ASP H H 8.969 0.005 1 381 32 32 ASP HA H 4.709 0.005 1 382 32 32 ASP HB2 H 2.424 0.008 2 383 32 32 ASP HB3 H 3.124 0.009 2 384 32 32 ASP C C 176.753 0.02 1 385 32 32 ASP CA C 52.697 0.028 1 386 32 32 ASP CB C 40.978 0.027 1 387 32 32 ASP N N 129.315 0.014 1 388 33 33 ILE H H 8.26 0.005 1 389 33 33 ILE HA H 3.599 0.004 1 390 33 33 ILE HB H 1.91 0.006 1 391 33 33 ILE HG12 H 1.669 0.005 2 392 33 33 ILE HG13 H 1.257 0.004 2 393 33 33 ILE HG2 H 0.922 0.003 1 394 33 33 ILE HD1 H 0.931 0.003 1 395 33 33 ILE C C 177.385 0.02 1 396 33 33 ILE CA C 64.197 0.042 1 397 33 33 ILE CB C 37.932 0.057 1 398 33 33 ILE CG1 C 28.287 0.004 1 399 33 33 ILE CG2 C 17.499 0.002 1 400 33 33 ILE CD1 C 13.263 0.037 1 401 33 33 ILE N N 125.612 0.02 1 402 34 34 LYS H H 8.131 0.004 1 403 34 34 LYS HA H 4.083 0.003 1 404 34 34 LYS HB2 H 1.875 0.007 2 405 34 34 LYS HB3 H 1.798 0.014 2 406 34 34 LYS HG2 H 1.417 0.006 2 407 34 34 LYS HG3 H 1.339 0.009 2 408 34 34 LYS HD2 H 1.664 0.009 1 409 34 34 LYS HD3 H 1.664 0.009 1 410 34 34 LYS HE2 H 2.978 0.003 1 411 34 34 LYS HE3 H 2.978 0.003 1 412 34 34 LYS C C 177.953 0.02 1 413 34 34 LYS CA C 58.841 0.053 1 414 34 34 LYS CB C 32.402 0.036 1 415 34 34 LYS CG C 24.888 0.024 1 416 34 34 LYS CD C 29.051 0.038 1 417 34 34 LYS CE C 42.297 0.026 1 418 34 34 LYS N N 120.571 0.013 1 419 35 35 ASN H H 7.583 0.007 1 420 35 35 ASN HA H 4.671 0.002 1 421 35 35 ASN HB2 H 2.278 0.007 2 422 35 35 ASN HB3 H 2.683 0.006 2 423 35 35 ASN HD21 H 8.71 0.02 2 424 35 35 ASN HD22 H 6.878 0.02 2 425 35 35 ASN C C 173.871 0.02 1 426 35 35 ASN CA C 52.938 0.052 1 427 35 35 ASN CB C 39.144 0.023 1 428 35 35 ASN CG C 177.086 0.01 1 429 35 35 ASN N N 113.84 0.035 1 430 35 35 ASN ND2 N 117.888 0.003 1 431 36 36 GLU H H 7.893 0.005 1 432 36 36 GLU HA H 2.959 0.004 1 433 36 36 GLU HB2 H 1.814 0.004 2 434 36 36 GLU HB3 H 1.192 0.008 2 435 36 36 GLU HG2 H 1.992 0.001 2 436 36 36 GLU HG3 H 1.791 0.006 2 437 36 36 GLU C C 173.306 0.02 1 438 36 36 GLU CA C 57.379 0.044 1 439 36 36 GLU CB C 26.367 0.046 1 440 36 36 GLU CG C 37.114 0.025 1 441 36 36 GLU N N 120.346 0.02 1 442 37 37 THR H H 7.286 0.005 1 443 37 37 THR HA H 4.673 0.02 1 444 37 37 THR HB H 3.714 0.006 1 445 37 37 THR HG2 H 0.975 0.029 1 446 37 37 THR C C 172.268 0.02 1 447 37 37 THR CA C 60.606 0.035 1 448 37 37 THR CB C 72.524 0.084 1 449 37 37 THR CG2 C 21.232 0.01 1 450 37 37 THR N N 109.757 0.008 1 451 38 38 ILE H H 8.896 0.005 1 452 38 38 ILE HA H 4.578 0.002 1 453 38 38 ILE HB H 1.867 0.009 1 454 38 38 ILE HG12 H 1 0.007 2 455 38 38 ILE HG13 H 1.747 0.007 2 456 38 38 ILE HG2 H 0.94 0.002 1 457 38 38 ILE HD1 H 0.906 0.007 1 458 38 38 ILE C C 174.478 0.02 1 459 38 38 ILE CA C 62.147 0.017 1 460 38 38 ILE CB C 38.097 0.11 1 461 38 38 ILE CG1 C 28.898 0.01 1 462 38 38 ILE CG2 C 19.23 0.006 1 463 38 38 ILE CD1 C 14.004 0.005 1 464 38 38 ILE N N 126.099 0.011 1 465 39 39 ILE H H 9.266 0.006 1 466 39 39 ILE HA H 4.947 0.002 1 467 39 39 ILE HB H 2.098 0.006 1 468 39 39 ILE HG12 H 1.196 0.006 2 469 39 39 ILE HG13 H 0.964 0.002 2 470 39 39 ILE HG2 H 0.954 0.008 1 471 39 39 ILE HD1 H 0.834 0.005 1 472 39 39 ILE C C 174.781 0.02 1 473 39 39 ILE CA C 59.591 0.046 1 474 39 39 ILE CB C 41.756 0.072 1 475 39 39 ILE CG1 C 26.508 0.012 1 476 39 39 ILE CG2 C 18.9 0.005 1 477 39 39 ILE CD1 C 14.031 0.035 1 478 39 39 ILE N N 121.585 0.016 1 479 40 40 LEU H H 8.287 0.005 1 480 40 40 LEU HA H 4.384 0.009 1 481 40 40 LEU HB2 H 0.763 0.006 2 482 40 40 LEU HB3 H 1.986 0.01 2 483 40 40 LEU HG H 1.381 0.004 1 484 40 40 LEU HD1 H 0.819 0.007 2 485 40 40 LEU HD2 H 0.886 0.001 2 486 40 40 LEU C C 175.677 0.02 1 487 40 40 LEU CA C 54.728 0.035 1 488 40 40 LEU CB C 44.229 0.039 1 489 40 40 LEU CG C 26.508 0.02 1 490 40 40 LEU CD1 C 26.072 0.045 2 491 40 40 LEU CD2 C 24.31 0.032 2 492 40 40 LEU N N 121.961 0.029 1 493 41 41 ALA H H 8.988 0.005 1 494 41 41 ALA HA H 4.81 0.002 1 495 41 41 ALA HB H 1.365 0.007 1 496 41 41 ALA C C 177.313 0.02 1 497 41 41 ALA CA C 53.13 0.014 1 498 41 41 ALA CB C 21.386 0.023 1 499 41 41 ALA N N 129.091 0.024 1 500 42 42 ASN H H 7.524 0.004 1 501 42 42 ASN HA H 4.868 0.003 1 502 42 42 ASN HB2 H 2.97 0.02 2 503 42 42 ASN HB3 H 2.858 0.006 2 504 42 42 ASN HD21 H 7.578 0.02 2 505 42 42 ASN HD22 H 7.401 0.02 2 506 42 42 ASN C C 173.952 0.02 1 507 42 42 ASN CA C 54.9 0.018 1 508 42 42 ASN CB C 41.533 0.024 1 509 42 42 ASN CG C 175.601 0.01 1 510 42 42 ASN N N 113.815 0.014 1 511 42 42 ASN ND2 N 112.928 0.001 1 512 43 43 THR H H 8.889 0.007 1 513 43 43 THR HA H 5.397 0.006 1 514 43 43 THR HB H 5.023 0.008 1 515 43 43 THR HG2 H 1.319 0.009 1 516 43 43 THR C C 175.619 0.02 1 517 43 43 THR CA C 60.439 0.105 1 518 43 43 THR CB C 69.452 0.065 1 519 43 43 THR CG2 C 23.862 0.005 1 520 43 43 THR N N 115.991 0.015 1 521 44 44 GLU H H 8.792 0.005 1 522 44 44 GLU HA H 4.06 0.004 1 523 44 44 GLU HB2 H 2.085 0.008 2 524 44 44 GLU HB3 H 1.889 0.02 2 525 44 44 GLU HG2 H 2.319 0.002 1 526 44 44 GLU HG3 H 2.319 0.002 1 527 44 44 GLU C C 177.583 0.02 1 528 44 44 GLU CA C 57.832 0.045 1 529 44 44 GLU CB C 30.559 0.027 1 530 44 44 GLU CG C 36.629 0.064 1 531 44 44 GLU N N 124.885 0.026 1 532 45 45 ASN H H 8.841 0.003 1 533 45 45 ASN HA H 4.777 0.006 1 534 45 45 ASN HB2 H 2.9 0.006 1 535 45 45 ASN HB3 H 2.9 0.006 1 536 45 45 ASN HD21 H 7.76 0.02 2 537 45 45 ASN HD22 H 7.201 0.02 2 538 45 45 ASN C C 176.714 0.02 1 539 45 45 ASN CA C 55.174 0.031 1 540 45 45 ASN CB C 38.791 0.013 1 541 45 45 ASN CG C 176.703 0.01 1 542 45 45 ASN N N 123.508 0.01 1 543 45 45 ASN ND2 N 114.809 0.02 1 544 46 46 THR H H 9.608 0.005 1 545 46 46 THR HA H 4.477 0.003 1 546 46 46 THR HB H 3.982 0.006 1 547 46 46 THR HG2 H 0.695 0.005 1 548 46 46 THR C C 172.282 0.02 1 549 46 46 THR CA C 62.821 0.053 1 550 46 46 THR CB C 72.873 0.021 1 551 46 46 THR CG2 C 20.697 0.008 1 552 46 46 THR N N 128.805 0.007 1 553 47 47 GLU H H 9.119 0.005 1 554 47 47 GLU HA H 4.771 0.02 1 555 47 47 GLU HB2 H 2.451 0.005 2 556 47 47 GLU HB3 H 1.823 0.007 2 557 47 47 GLU HG2 H 2.411 0.007 2 558 47 47 GLU HG3 H 2.332 0.003 2 559 47 47 GLU C C 178.017 0.02 1 560 47 47 GLU CA C 54.636 0.031 1 561 47 47 GLU CB C 30.751 0.077 1 562 47 47 GLU CG C 36.141 0.024 1 563 47 47 GLU N N 126.337 0.015 1 564 48 48 LEU H H 9.334 0.005 1 565 48 48 LEU HA H 4.021 0.007 1 566 48 48 LEU HB2 H 2.082 0.006 1 567 48 48 LEU HB3 H 2.082 0.006 1 568 48 48 LEU HG H 1.712 0.004 1 569 48 48 LEU HD1 H 1.169 0.006 2 570 48 48 LEU HD2 H 0.998 0.008 2 571 48 48 LEU C C 179.953 0.02 1 572 48 48 LEU CA C 59.843 0.053 1 573 48 48 LEU CB C 41.683 0.028 1 574 48 48 LEU CG C 27.694 0.005 1 575 48 48 LEU CD1 C 26.523 0.021 2 576 48 48 LEU CD2 C 25.107 0.003 2 577 48 48 LEU N N 124.816 0.009 1 578 49 49 ARG H H 8.694 0.004 1 579 49 49 ARG HA H 4.063 0.005 1 580 49 49 ARG HB2 H 1.902 0.006 2 581 49 49 ARG HB3 H 1.763 0.006 2 582 49 49 ARG HG2 H 1.524 0.006 1 583 49 49 ARG HG3 H 1.524 0.006 1 584 49 49 ARG HD2 H 3.188 0.009 1 585 49 49 ARG HD3 H 3.188 0.009 1 586 49 49 ARG C C 176.206 0.02 1 587 49 49 ARG CA C 58.156 0.061 1 588 49 49 ARG CB C 29.535 0.026 1 589 49 49 ARG CG C 26.478 0.03 1 590 49 49 ARG CD C 43.436 0.058 1 591 49 49 ARG N N 115.349 0.025 1 592 50 50 ASP H H 7.498 0.004 1 593 50 50 ASP HA H 4.637 0.003 1 594 50 50 ASP HB2 H 2.681 0.003 1 595 50 50 ASP HB3 H 2.681 0.003 1 596 50 50 ASP C C 175.998 0.02 1 597 50 50 ASP CA C 54.558 0.047 1 598 50 50 ASP CB C 43.224 0.036 1 599 50 50 ASP N N 116.75 0.018 1 600 51 51 LEU H H 7.228 0.005 1 601 51 51 LEU HA H 3.482 0.002 1 602 51 51 LEU HB2 H 1.482 0.008 2 603 51 51 LEU HB3 H 0.836 0.006 2 604 51 51 LEU HG H 0.945 0.008 1 605 51 51 LEU HD1 H -0.203 0.009 2 606 51 51 LEU HD2 H 0.062 0.008 2 607 51 51 LEU C C 174.266 0.02 1 608 51 51 LEU CA C 59.39 0.044 1 609 51 51 LEU CB C 39.354 0.022 1 610 51 51 LEU CG C 26.303 0.018 1 611 51 51 LEU CD1 C 24.895 0.035 2 612 51 51 LEU CD2 C 22.395 0.01 2 613 51 51 LEU N N 121.271 0.011 1 614 52 52 PRO HA H 3.761 0.003 1 615 52 52 PRO HB2 H 2.111 0.009 2 616 52 52 PRO HB3 H 1.548 0.012 2 617 52 52 PRO HG2 H 1.894 0.004 2 618 52 52 PRO HG3 H 1.797 0.008 2 619 52 52 PRO HD2 H 3.321 0.006 2 620 52 52 PRO HD3 H 3.518 0.003 2 621 52 52 PRO C C 178.925 0.02 1 622 52 52 PRO CA C 66.641 0.025 1 623 52 52 PRO CB C 31.763 0.048 1 624 52 52 PRO CG C 28.529 0.014 1 625 52 52 PRO CD C 50.095 0.024 1 626 53 53 LYS H H 7.176 0.006 1 627 53 53 LYS HA H 4.007 0.006 1 628 53 53 LYS HB2 H 1.834 0.002 1 629 53 53 LYS HB3 H 1.834 0.002 1 630 53 53 LYS HG2 H 1.43 0.007 1 631 53 53 LYS HG3 H 1.43 0.007 1 632 53 53 LYS HD2 H 1.618 0.022 1 633 53 53 LYS HD3 H 1.618 0.022 1 634 53 53 LYS HE2 H 2.961 0.004 1 635 53 53 LYS HE3 H 2.961 0.004 1 636 53 53 LYS C C 178.513 0.02 1 637 53 53 LYS CA C 57.333 0.046 1 638 53 53 LYS CB C 32.313 0.1 1 639 53 53 LYS CG C 25.451 0.001 1 640 53 53 LYS CD C 29.377 0.016 1 641 53 53 LYS CE C 42.291 0.02 1 642 53 53 LYS N N 112.624 0.068 1 643 54 54 ARG H H 7.747 0.005 1 644 54 54 ARG HA H 4.018 0.003 1 645 54 54 ARG HB2 H 2.124 0.009 2 646 54 54 ARG HB3 H 1.627 0.006 2 647 54 54 ARG HG2 H 1.28 0.006 2 648 54 54 ARG HG3 H 0.752 0.011 2 649 54 54 ARG HD2 H 2.963 0.008 2 650 54 54 ARG HD3 H 2.619 0.007 2 651 54 54 ARG HE H 7.164 0.002 1 652 54 54 ARG C C 175.527 0.02 1 653 54 54 ARG CA C 54.354 0.031 1 654 54 54 ARG CB C 29.892 0.055 1 655 54 54 ARG CG C 27.238 0.046 1 656 54 54 ARG CD C 41.996 0.042 1 657 54 54 ARG N N 116.844 0.021 1 658 54 54 ARG NE N 88.234 0.006 1 659 55 55 ILE H H 6.659 0.005 1 660 55 55 ILE HA H 3.954 0.003 1 661 55 55 ILE HB H 1.984 0.006 1 662 55 55 ILE HG12 H 1.451 0.007 2 663 55 55 ILE HG13 H 0.834 0.006 2 664 55 55 ILE HG2 H 0.591 0.006 1 665 55 55 ILE HD1 H -0.251 0.009 1 666 55 55 ILE C C 174.092 0.02 1 667 55 55 ILE CA C 57.137 0.025 1 668 55 55 ILE CB C 35.844 0.029 1 669 55 55 ILE CG1 C 26.472 0.014 1 670 55 55 ILE CG2 C 17.012 0.02 1 671 55 55 ILE CD1 C 7.905 0.008 1 672 55 55 ILE N N 116.396 0.021 1 673 56 56 PRO HA H 4.435 0.003 1 674 56 56 PRO HB2 H 2.438 0.005 2 675 56 56 PRO HB3 H 1.932 0.01 2 676 56 56 PRO HG2 H 1.904 0.006 2 677 56 56 PRO HG3 H 1.806 0.005 2 678 56 56 PRO HD2 H 4.717 0.004 2 679 56 56 PRO HD3 H 3.534 0.007 2 680 56 56 PRO C C 177.417 0.02 1 681 56 56 PRO CA C 63.47 0.047 1 682 56 56 PRO CB C 32.42 0.014 1 683 56 56 PRO CG C 27.766 0.036 1 684 56 56 PRO CD C 50.809 0.033 1 685 57 57 LYS H H 8.831 0.005 1 686 57 57 LYS HA H 4.318 0.008 1 687 57 57 LYS HB2 H 1.872 0.012 2 688 57 57 LYS HB3 H 1.67 0.005 2 689 57 57 LYS HG2 H 1.468 0.006 1 690 57 57 LYS HG3 H 1.468 0.006 1 691 57 57 LYS HD2 H 1.682 0.003 1 692 57 57 LYS HD3 H 1.682 0.003 1 693 57 57 LYS HE2 H 3.004 0.005 1 694 57 57 LYS HE3 H 3.004 0.005 1 695 57 57 LYS C C 177.252 0.02 1 696 57 57 LYS CA C 56.76 0.027 1 697 57 57 LYS CB C 33.335 0.112 1 698 57 57 LYS CG C 25.438 0.014 1 699 57 57 LYS CD C 29.065 0.02 1 700 57 57 LYS CE C 42.612 0.029 1 701 57 57 LYS N N 120.256 0.014 1 702 58 58 ASP H H 8.249 0.006 1 703 58 58 ASP HA H 4.556 0.008 1 704 58 58 ASP HB2 H 2.813 0.006 2 705 58 58 ASP HB3 H 2.532 0.004 2 706 58 58 ASP C C 174.651 0.02 1 707 58 58 ASP CA C 53.554 0.046 1 708 58 58 ASP CB C 41.467 0.035 1 709 58 58 ASP N N 114.832 0.031 1 710 59 59 SER H H 6.842 0.005 1 711 59 59 SER HA H 4.306 0.003 1 712 59 59 SER HB2 H 3.606 0.002 1 713 59 59 SER HB3 H 3.606 0.002 1 714 59 59 SER C C 171.872 0.02 1 715 59 59 SER CA C 57.151 0.016 1 716 59 59 SER CB C 65.298 0.012 1 717 59 59 SER N N 112.216 0.031 1 718 60 60 ALA H H 8.222 0.007 1 719 60 60 ALA HA H 4.463 0.006 1 720 60 60 ALA HB H 0.635 0.007 1 721 60 60 ALA C C 176.091 0.02 1 722 60 60 ALA CA C 51.566 0.007 1 723 60 60 ALA CB C 19.563 0.035 1 724 60 60 ALA N N 127.891 0.031 1 725 61 61 ARG H H 8.274 0.006 1 726 61 61 ARG HA H 4.477 0.006 1 727 61 61 ARG HB2 H 1.367 0.012 2 728 61 61 ARG HB3 H 1.286 0.018 2 729 61 61 ARG HG2 H 1.625 0.02 1 730 61 61 ARG HG3 H 1.625 0.02 1 731 61 61 ARG HD2 H 3.188 0.005 1 732 61 61 ARG HD3 H 3.188 0.005 1 733 61 61 ARG HE H 7.263 0.003 1 734 61 61 ARG C C 174.018 0.02 1 735 61 61 ARG CA C 53.262 0.035 1 736 61 61 ARG CB C 37.417 0.053 1 737 61 61 ARG CG C 26.483 0.02 1 738 61 61 ARG CD C 43.561 0.014 1 739 61 61 ARG N N 115.298 0.024 1 740 61 61 ARG NE N 96.013 15.116 1 741 62 62 TYR H H 7.475 0.006 1 742 62 62 TYR HA H 5.491 0.002 1 743 62 62 TYR HB2 H 2.997 0.02 2 744 62 62 TYR HB3 H 3.134 0.02 2 745 62 62 TYR HD1 H 6.995 0.002 1 746 62 62 TYR HD2 H 6.995 0.002 1 747 62 62 TYR HE1 H 6.317 0.007 1 748 62 62 TYR HE2 H 6.317 0.007 1 749 62 62 TYR C C 175.077 0.02 1 750 62 62 TYR CA C 53.993 0.11 1 751 62 62 TYR CB C 41.501 0.041 1 752 62 62 TYR CD1 C 131.886 0.02 1 753 62 62 TYR CD2 C 131.886 0.02 1 754 62 62 TYR CE1 C 117.897 0.02 1 755 62 62 TYR CE2 C 117.897 0.02 1 756 62 62 TYR N N 116.442 0.024 1 757 63 63 HIS H H 8.929 0.006 1 758 63 63 HIS HA H 5.466 0.002 1 759 63 63 HIS HB2 H 3.091 0.004 2 760 63 63 HIS HB3 H 2.879 0.006 2 761 63 63 HIS HD2 H 6.898 0.005 1 762 63 63 HIS HE1 H 7.527 0.02 1 763 63 63 HIS C C 174.28 0.02 1 764 63 63 HIS CA C 54.165 0.01 1 765 63 63 HIS CB C 34.411 0.029 1 766 63 63 HIS CD2 C 119.931 0.02 1 767 63 63 HIS CE1 C 135.483 0.02 1 768 63 63 HIS N N 119.148 0.02 1 769 64 64 PHE H H 9.436 0.006 1 770 64 64 PHE HA H 5.416 0.02 1 771 64 64 PHE HB2 H 2.689 0.002 1 772 64 64 PHE HB3 H 2.689 0.002 1 773 64 64 PHE HD1 H 7.025 0.001 1 774 64 64 PHE HD2 H 7.025 0.001 1 775 64 64 PHE HZ H 7.199 0.02 1 776 64 64 PHE C C 173.68 0.02 1 777 64 64 PHE CA C 57.005 0.05 1 778 64 64 PHE CB C 42.59 0.021 1 779 64 64 PHE CD1 C 131.892 0.02 1 780 64 64 PHE CD2 C 131.892 0.02 1 781 64 64 PHE CZ C 130.364 0.02 1 782 64 64 PHE N N 121.141 0.03 1 783 65 65 PHE H H 9.162 0.007 1 784 65 65 PHE HA H 5.59 0.004 1 785 65 65 PHE HB2 H 3.045 0.004 2 786 65 65 PHE HB3 H 2.65 0.005 2 787 65 65 PHE HD1 H 7.18 0.02 1 788 65 65 PHE HD2 H 7.18 0.02 1 789 65 65 PHE C C 172.196 0.02 1 790 65 65 PHE CA C 55.43 0.03 1 791 65 65 PHE CB C 44.043 0.013 1 792 65 65 PHE N N 122.71 0.037 1 793 66 66 LEU H H 8.278 0.004 1 794 66 66 LEU HA H 4.367 0.001 1 795 66 66 LEU HB2 H 1.045 0.008 2 796 66 66 LEU HB3 H 1.908 0.006 2 797 66 66 LEU HG H 1.096 0.009 1 798 66 66 LEU HD1 H 0.872 0.006 2 799 66 66 LEU HD2 H 0.691 0.004 2 800 66 66 LEU C C 171.371 0.02 1 801 66 66 LEU CA C 53.959 0.061 1 802 66 66 LEU CB C 42.971 0.05 1 803 66 66 LEU CG C 27.362 0.012 1 804 66 66 LEU CD1 C 26.333 0.032 2 805 66 66 LEU CD2 C 23.876 0.011 2 806 66 66 LEU N N 130.813 0.011 1 807 67 67 TYR H H 9.175 0.007 1 808 67 67 TYR HA H 4.798 0.001 1 809 67 67 TYR HB2 H 3.203 0.02 2 810 67 67 TYR HB3 H 2.857 0.02 2 811 67 67 TYR HD1 H 6.762 0.004 1 812 67 67 TYR HD2 H 6.762 0.004 1 813 67 67 TYR HE1 H 6.2 0.007 1 814 67 67 TYR HE2 H 6.2 0.007 1 815 67 67 TYR C C 175.79 0.02 1 816 67 67 TYR CA C 53.889 0.019 1 817 67 67 TYR CB C 38.22 0.063 1 818 67 67 TYR CD1 C 130.419 0.02 1 819 67 67 TYR CD2 C 130.419 0.02 1 820 67 67 TYR CE1 C 117.714 0.02 1 821 67 67 TYR CE2 C 117.714 0.02 1 822 67 67 TYR N N 129.442 0.031 1 823 68 68 LYS H H 9.62 0.004 1 824 68 68 LYS HA H 4.975 0.007 1 825 68 68 LYS HB2 H 2.122 0.006 2 826 68 68 LYS HB3 H 2.047 0.006 2 827 68 68 LYS HG2 H 1.447 0.007 2 828 68 68 LYS HG3 H 1.115 0.005 2 829 68 68 LYS HD2 H 1.835 0.006 1 830 68 68 LYS HD3 H 1.835 0.006 1 831 68 68 LYS HE2 H 2.982 0.007 1 832 68 68 LYS HE3 H 2.982 0.007 1 833 68 68 LYS C C 175.79 0.02 1 834 68 68 LYS CA C 56.126 0.048 1 835 68 68 LYS CB C 31.125 0.186 1 836 68 68 LYS CG C 25.52 0.027 1 837 68 68 LYS CD C 29.837 0.074 1 838 68 68 LYS CE C 42.255 0.144 1 839 68 68 LYS N N 137.003 0.302 1 840 69 69 HIS H H 9.187 0.006 1 841 69 69 HIS HA H 4.899 0.001 1 842 69 69 HIS HB2 H 3.107 0.001 2 843 69 69 HIS HB3 H 2.584 0.008 2 844 69 69 HIS HD2 H 6.814 0.008 1 845 69 69 HIS HE1 H 7.703 0.02 1 846 69 69 HIS C C 170.858 0.02 1 847 69 69 HIS CA C 55.191 0.026 1 848 69 69 HIS CB C 30.542 0.03 1 849 69 69 HIS CD2 C 125.526 0.02 1 850 69 69 HIS CE1 C 135.155 0.02 1 851 69 69 HIS N N 122.64 0.037 1 852 70 70 SER H H 8.344 0.005 1 853 70 70 SER HA H 5.319 0.002 1 854 70 70 SER HB2 H 3.654 0.002 1 855 70 70 SER HB3 H 3.654 0.002 1 856 70 70 SER C C 174.487 0.02 1 857 70 70 SER CA C 56.819 0.039 1 858 70 70 SER CB C 64.945 0.076 1 859 70 70 SER N N 114.058 0.014 1 860 71 71 HIS H H 8.904 0.005 1 861 71 71 HIS HA H 4.93 0.006 1 862 71 71 HIS HB2 H 2.645 0.002 2 863 71 71 HIS HB3 H 2.507 0.007 2 864 71 71 HIS HD2 H 6.777 0.035 1 865 71 71 HIS HE1 H 7.946 0.02 1 866 71 71 HIS C C 174.153 0.02 1 867 71 71 HIS CA C 55.953 0.115 1 868 71 71 HIS CB C 33.096 0.051 1 869 71 71 HIS CD2 C 128.616 0.02 1 870 71 71 HIS CE1 C 137.254 0.02 1 871 71 71 HIS N N 123.698 0.175 1 872 72 72 GLU H H 9.212 0.005 1 873 72 72 GLU HA H 3.591 0.007 1 874 72 72 GLU HB2 H 1.929 0.006 2 875 72 72 GLU HB3 H 1.418 0.007 2 876 72 72 GLU HG2 H 1.526 0.005 2 877 72 72 GLU HG3 H 1.412 0.009 2 878 72 72 GLU C C 175.72 0.02 1 879 72 72 GLU CA C 56.872 0.034 1 880 72 72 GLU CB C 27.239 0.056 1 881 72 72 GLU CG C 35.573 0.005 1 882 72 72 GLU N N 127.365 0.018 1 883 73 73 GLY H H 8.376 0.004 1 884 73 73 GLY HA2 H 4.161 0.002 2 885 73 73 GLY HA3 H 3.495 0.006 2 886 73 73 GLY C C 173.688 0.02 1 887 73 73 GLY CA C 45.224 0.03 1 888 73 73 GLY N N 105.021 0.008 1 889 74 74 ASP H H 7.81 0.005 1 890 74 74 ASP HA H 4.911 0.001 1 891 74 74 ASP HB2 H 2.591 0.003 1 892 74 74 ASP HB3 H 2.591 0.003 1 893 74 74 ASP C C 174.432 0.02 1 894 74 74 ASP CA C 53.105 0.037 1 895 74 74 ASP CB C 42.915 0.044 1 896 74 74 ASP N N 121.729 0.009 1 897 75 75 TYR H H 8.568 0.004 1 898 75 75 TYR HA H 4.652 0.004 1 899 75 75 TYR HB2 H 2.891 0.005 2 900 75 75 TYR HB3 H 2.757 0.01 2 901 75 75 TYR HD1 H 6.909 0.005 1 902 75 75 TYR HD2 H 6.909 0.005 1 903 75 75 TYR HE1 H 6.651 0.005 1 904 75 75 TYR HE2 H 6.651 0.005 1 905 75 75 TYR C C 174.15 0.02 1 906 75 75 TYR CA C 58.227 0.015 1 907 75 75 TYR CB C 39.112 0.037 1 908 75 75 TYR CD1 C 133.073 0.02 1 909 75 75 TYR CD2 C 133.073 0.02 1 910 75 75 TYR CE1 C 118.218 0.02 1 911 75 75 TYR CE2 C 118.218 0.02 1 912 75 75 TYR N N 123.61 0.018 1 913 76 76 LEU H H 8.556 0.006 1 914 76 76 LEU HA H 4.272 0.005 1 915 76 76 LEU HB2 H 1.163 0.006 2 916 76 76 LEU HB3 H 0.547 0.008 2 917 76 76 LEU HG H 1.314 0.004 1 918 76 76 LEU HD1 H 0.782 0.02 2 919 76 76 LEU HD2 H 0.781 0.004 2 920 76 76 LEU C C 174.287 0.02 1 921 76 76 LEU CA C 53.799 0.043 1 922 76 76 LEU CB C 45.179 0.023 1 923 76 76 LEU CG C 27.649 0.053 1 924 76 76 LEU CD1 C 25.915 0.002 2 925 76 76 LEU CD2 C 24.005 0.024 2 926 76 76 LEU N N 130.593 0.01 1 927 77 77 GLU H H 8.079 0.005 1 928 77 77 GLU HA H 4.446 0.004 1 929 77 77 GLU HB2 H 1.956 0.005 2 930 77 77 GLU HB3 H 1.508 0.008 2 931 77 77 GLU HG2 H 2.176 0.005 2 932 77 77 GLU HG3 H 1.906 0.003 2 933 77 77 GLU C C 175.076 0.02 1 934 77 77 GLU CA C 54.772 0.064 1 935 77 77 GLU CB C 30.399 0.039 1 936 77 77 GLU CG C 35.937 0.022 1 937 77 77 GLU N N 119.097 0.02 1 938 78 78 SER H H 7.803 0.007 1 939 78 78 SER HA H 4.788 0.002 1 940 78 78 SER HB2 H 3.91 0.004 2 941 78 78 SER HB3 H 3.609 0.006 2 942 78 78 SER C C 173.174 0.02 1 943 78 78 SER CA C 57.733 0.006 1 944 78 78 SER CB C 65.546 0.027 1 945 78 78 SER N N 119.794 0.011 1 946 79 79 VAL H H 9.338 0.006 1 947 79 79 VAL HA H 4.56 0.006 1 948 79 79 VAL HB H 2.357 0.005 1 949 79 79 VAL HG1 H 1.038 0.009 2 950 79 79 VAL HG2 H 0.935 0.004 2 951 79 79 VAL C C 174.983 0.02 1 952 79 79 VAL CA C 63.88 0.034 1 953 79 79 VAL CB C 31.386 0.207 1 954 79 79 VAL CG1 C 22.774 0.002 2 955 79 79 VAL CG2 C 22.575 0.025 2 956 79 79 VAL N N 127.079 0.01 1 957 80 80 VAL H H 9.345 0.01 1 958 80 80 VAL HA H 4.731 0.007 1 959 80 80 VAL HB H 2.053 0.01 1 960 80 80 VAL HG1 H 0.978 0.007 2 961 80 80 VAL HG2 H 0.804 0.009 2 962 80 80 VAL C C 174.294 0.02 1 963 80 80 VAL CA C 60.089 0.096 1 964 80 80 VAL CB C 35.024 0.016 1 965 80 80 VAL CG1 C 21.635 0.005 2 966 80 80 VAL CG2 C 21.893 0.01 2 967 80 80 VAL N N 124.84 0.024 1 968 81 81 PHE H H 8.308 0.005 1 969 81 81 PHE HA H 5.284 0.001 1 970 81 81 PHE HB2 H 2.677 0.006 1 971 81 81 PHE HB3 H 2.677 0.006 1 972 81 81 PHE HD1 H 6.191 0.006 1 973 81 81 PHE HD2 H 6.191 0.006 1 974 81 81 PHE HE1 H 6.795 0.005 1 975 81 81 PHE HE2 H 6.795 0.005 1 976 81 81 PHE HZ H 7.093 0.02 1 977 81 81 PHE C C 173.166 0.02 1 978 81 81 PHE CA C 55.016 0.041 1 979 81 81 PHE CB C 42.483 0.178 1 980 81 81 PHE CD1 C 132.516 0.02 1 981 81 81 PHE CD2 C 132.516 0.02 1 982 81 81 PHE CE1 C 130.338 0.02 1 983 81 81 PHE CE2 C 130.338 0.02 1 984 81 81 PHE CZ C 129.334 0.02 1 985 81 81 PHE N N 125.577 0.015 1 986 82 82 ILE H H 8.854 0.005 1 987 82 82 ILE HA H 4.671 0.003 1 988 82 82 ILE HB H 1.274 0.009 1 989 82 82 ILE HG12 H 1.357 0.004 2 990 82 82 ILE HG13 H 0.59 0.009 2 991 82 82 ILE HG2 H 0.454 0.006 1 992 82 82 ILE HD1 H 0.5 0.007 1 993 82 82 ILE C C 173.111 0.02 1 994 82 82 ILE CA C 58.675 0.043 1 995 82 82 ILE CB C 41.967 0.062 1 996 82 82 ILE CG1 C 27.718 0.031 1 997 82 82 ILE CG2 C 18.441 0.021 1 998 82 82 ILE CD1 C 14.751 0.018 1 999 82 82 ILE N N 127.507 0.01 1 1000 83 83 TYR H H 8.896 0.005 1 1001 83 83 TYR HA H 5.527 0.004 1 1002 83 83 TYR HB2 H 3.182 0.005 2 1003 83 83 TYR HB3 H 2.995 0.004 2 1004 83 83 TYR HD1 H 7.215 0.004 1 1005 83 83 TYR HD2 H 7.215 0.004 1 1006 83 83 TYR HE1 H 6.627 0.008 1 1007 83 83 TYR HE2 H 6.627 0.008 1 1008 83 83 TYR C C 174.132 0.02 1 1009 83 83 TYR CA C 53.519 0.031 1 1010 83 83 TYR CB C 39.781 0.06 1 1011 83 83 TYR CD1 C 131.795 0.02 1 1012 83 83 TYR CD2 C 131.795 0.02 1 1013 83 83 TYR CE1 C 118.508 0.02 1 1014 83 83 TYR CE2 C 118.508 0.02 1 1015 83 83 TYR N N 129.785 0.006 1 1016 84 84 SER H H 9.147 0.008 1 1017 84 84 SER HA H 4.902 0.002 1 1018 84 84 SER HB2 H 3.667 0.002 2 1019 84 84 SER HB3 H 3.059 0.003 2 1020 84 84 SER C C 171.175 0.02 1 1021 84 84 SER CA C 55.021 0.032 1 1022 84 84 SER CB C 65.991 0.051 1 1023 84 84 SER N N 123.401 0.035 1 1024 85 85 MET HB2 H 1.728 0.02 2 1025 85 85 MET HB3 H 1.304 0.02 2 1026 85 85 MET HG2 H 2.245 0.004 1 1027 85 85 MET HG3 H 2.245 0.004 1 1028 85 85 MET HE H 1.62 0.02 1 1029 85 85 MET CG C 32.531 0.015 1 1030 85 85 MET CE C 17.307 0.02 1 1031 86 86 PRO HA H 4.642 0.002 1 1032 86 86 PRO HB2 H 1.888 0.01 2 1033 86 86 PRO HB3 H 2.07 0.005 2 1034 86 86 PRO HG2 H 1.567 0.005 1 1035 86 86 PRO HG3 H 1.567 0.005 1 1036 86 86 PRO HD2 H 3.296 0.024 2 1037 86 86 PRO HD3 H 3.207 0.005 2 1038 86 86 PRO C C 177.103 0.02 1 1039 86 86 PRO CA C 62.355 0.04 1 1040 86 86 PRO CB C 31.737 0.034 1 1041 86 86 PRO CG C 27.432 0.008 1 1042 86 86 PRO CD C 50.163 0.015 1 1043 87 87 GLY H H 8.323 0.005 1 1044 87 87 GLY HA2 H 3.756 0.02 1 1045 87 87 GLY HA3 H 3.756 0.02 1 1046 87 87 GLY C C 174.804 0.02 1 1047 87 87 GLY CA C 46.559 0.036 1 1048 87 87 GLY N N 110.624 0.033 1 1049 88 88 TYR H H 8.206 0.004 1 1050 88 88 TYR HA H 4.504 0.005 1 1051 88 88 TYR HB2 H 3.034 0.009 1 1052 88 88 TYR HB3 H 3.034 0.009 1 1053 88 88 TYR HD1 H 7.068 0.004 1 1054 88 88 TYR HD2 H 7.068 0.004 1 1055 88 88 TYR HE1 H 6.805 0.006 1 1056 88 88 TYR HE2 H 6.805 0.006 1 1057 88 88 TYR C C 175.932 0.02 1 1058 88 88 TYR CA C 58.477 0.029 1 1059 88 88 TYR CB C 38.28 0.039 1 1060 88 88 TYR CD1 C 133.24 0.02 1 1061 88 88 TYR CD2 C 133.24 0.02 1 1062 88 88 TYR CE1 C 118.374 0.02 1 1063 88 88 TYR CE2 C 118.374 0.02 1 1064 88 88 TYR N N 119.655 0.033 1 1065 89 89 THR H H 7.79 0.004 1 1066 89 89 THR HA H 4.218 0.002 1 1067 89 89 THR HB H 4.16 0.002 1 1068 89 89 THR HG2 H 1.113 0.005 1 1069 89 89 THR C C 174.388 0.02 1 1070 89 89 THR CA C 62.399 0.06 1 1071 89 89 THR CB C 69.423 0.062 1 1072 89 89 THR CG2 C 21.976 0.022 1 1073 89 89 THR N N 112.547 0.005 1 1074 90 90 CYS H H 7.885 0.006 1 1075 90 90 CYS HA H 4.535 0.003 1 1076 90 90 CYS HB2 H 2.797 0.002 2 1077 90 90 CYS HB3 H 2.752 0.004 2 1078 90 90 CYS C C 174.592 0.02 1 1079 90 90 CYS CA C 58.704 0.256 1 1080 90 90 CYS CB C 28.923 0.014 1 1081 90 90 CYS N N 121.498 0.037 1 1082 91 91 SER H H 8.85 0.006 1 1083 91 91 SER HA H 4.484 0.004 1 1084 91 91 SER HB2 H 4.322 0.003 2 1085 91 91 SER HB3 H 4.096 0.015 2 1086 91 91 SER C C 175.156 0.02 1 1087 91 91 SER CA C 58.134 0.054 1 1088 91 91 SER CB C 64.756 0.016 1 1089 91 91 SER N N 121.472 0.022 1 1090 92 92 ILE H H 8.726 0.006 1 1091 92 92 ILE HA H 3.81 0.007 1 1092 92 92 ILE HB H 1.888 0.007 1 1093 92 92 ILE HG12 H 1.621 0.008 2 1094 92 92 ILE HG13 H 1.299 0.004 2 1095 92 92 ILE HG2 H 0.959 0.005 1 1096 92 92 ILE HD1 H 0.915 0.007 1 1097 92 92 ILE C C 177.929 0.02 1 1098 92 92 ILE CA C 64.493 0.136 1 1099 92 92 ILE CB C 37.897 0.034 1 1100 92 92 ILE CG1 C 28.992 0.028 1 1101 92 92 ILE CG2 C 17.542 0.01 1 1102 92 92 ILE CD1 C 12.952 0.033 1 1103 92 92 ILE N N 123.985 0.014 1 1104 93 93 ARG H H 8.291 0.006 1 1105 93 93 ARG HA H 4.081 0.004 1 1106 93 93 ARG HB2 H 1.902 0.004 2 1107 93 93 ARG HB3 H 1.792 0.008 2 1108 93 93 ARG HG2 H 1.719 0.005 2 1109 93 93 ARG HG3 H 1.592 0.01 2 1110 93 93 ARG HD2 H 3.243 0.01 1 1111 93 93 ARG HD3 H 3.243 0.01 1 1112 93 93 ARG HE H 7.502 0.001 1 1113 93 93 ARG C C 178.251 0.02 1 1114 93 93 ARG CA C 59.384 0.045 1 1115 93 93 ARG CB C 30.006 0.093 1 1116 93 93 ARG CG C 27.429 0.004 1 1117 93 93 ARG CD C 43.282 0.057 1 1118 93 93 ARG N N 120.792 0.007 1 1119 93 93 ARG NE N 85.05 0.02 1 1120 94 94 GLU H H 7.872 0.007 1 1121 94 94 GLU HA H 3.979 0.02 1 1122 94 94 GLU HB2 H 2.233 0.003 1 1123 94 94 GLU HB3 H 2.233 0.003 1 1124 94 94 GLU HG2 H 2.474 0.005 2 1125 94 94 GLU HG3 H 2.316 0.006 2 1126 94 94 GLU C C 178.126 0.02 1 1127 94 94 GLU CA C 60.575 0.163 1 1128 94 94 GLU CB C 30.299 0.05 1 1129 94 94 GLU CG C 37.856 0.007 1 1130 94 94 GLU N N 119.822 0.017 1 1131 95 95 ARG H H 8.192 0.006 1 1132 95 95 ARG HA H 4.015 0.005 1 1133 95 95 ARG HB2 H 1.941 0.017 1 1134 95 95 ARG HB3 H 1.941 0.017 1 1135 95 95 ARG HG2 H 1.742 0.006 2 1136 95 95 ARG HG3 H 1.667 0.006 2 1137 95 95 ARG HD2 H 3.169 0.015 1 1138 95 95 ARG HD3 H 3.169 0.015 1 1139 95 95 ARG HE H 6.917 0.001 1 1140 95 95 ARG C C 179.326 0.02 1 1141 95 95 ARG CA C 60.277 0.018 1 1142 95 95 ARG CB C 30.329 0.045 1 1143 95 95 ARG CG C 28.263 0.037 1 1144 95 95 ARG CD C 43.84 0.058 1 1145 95 95 ARG N N 118.798 0.01 1 1146 95 95 ARG NE N 84.4 0.253 1 1147 96 96 MET H H 8.479 0.005 1 1148 96 96 MET HA H 4.2 0.005 1 1149 96 96 MET HB2 H 2.218 0.01 1 1150 96 96 MET HB3 H 2.218 0.01 1 1151 96 96 MET HG2 H 2.783 0.003 2 1152 96 96 MET HG3 H 2.579 0.005 2 1153 96 96 MET HE H 2.074 0.02 1 1154 96 96 MET C C 179.439 0.02 1 1155 96 96 MET CA C 58.835 0.073 1 1156 96 96 MET CB C 32.133 0.036 1 1157 96 96 MET CG C 32.238 0.019 1 1158 96 96 MET CE C 16.924 0.02 1 1159 96 96 MET N N 119.288 0.003 1 1160 97 97 LEU H H 8.302 0.006 1 1161 97 97 LEU HA H 4.073 0.007 1 1162 97 97 LEU HB2 H 1.291 0.01 2 1163 97 97 LEU HB3 H 1.847 0.006 2 1164 97 97 LEU HG H 1.752 0.005 1 1165 97 97 LEU HD1 H 0.827 0.001 2 1166 97 97 LEU HD2 H 0.729 0.004 2 1167 97 97 LEU C C 178.828 0.02 1 1168 97 97 LEU CA C 58.141 0.075 1 1169 97 97 LEU CB C 42.195 0.032 1 1170 97 97 LEU CG C 27.06 0.02 1 1171 97 97 LEU CD1 C 26.092 0.012 2 1172 97 97 LEU CD2 C 23.919 0.001 2 1173 97 97 LEU N N 122.774 0.029 1 1174 98 98 TYR H H 8.522 0.004 1 1175 98 98 TYR HA H 4.085 0.005 1 1176 98 98 TYR HB2 H 3.054 0.005 2 1177 98 98 TYR HB3 H 2.896 0.012 2 1178 98 98 TYR HD1 H 6.733 0.02 1 1179 98 98 TYR HD2 H 6.733 0.02 1 1180 98 98 TYR HE1 H 6.418 0.02 1 1181 98 98 TYR HE2 H 6.418 0.02 1 1182 98 98 TYR C C 181.358 0.02 1 1183 98 98 TYR CA C 61.688 0.125 1 1184 98 98 TYR CB C 37.44 0.039 1 1185 98 98 TYR CD1 C 129.508 0.02 1 1186 98 98 TYR CD2 C 129.508 0.02 1 1187 98 98 TYR CE1 C 118.876 0.02 1 1188 98 98 TYR CE2 C 118.876 0.02 1 1189 98 98 TYR N N 117.762 0.017 1 1190 99 99 SER H H 8.134 0.005 1 1191 99 99 SER HA H 4.252 0.003 1 1192 99 99 SER HB2 H 4.122 0.004 1 1193 99 99 SER HB3 H 4.122 0.004 1 1194 99 99 SER C C 176.735 0.02 1 1195 99 99 SER CA C 62.093 0.012 1 1196 99 99 SER CB C 63.178 0.261 1 1197 99 99 SER N N 114.815 0.01 1 1198 100 100 SER H H 8.331 0.005 1 1199 100 100 SER HA H 4.331 0.004 1 1200 100 100 SER HB2 H 3.961 0.004 1 1201 100 100 SER HB3 H 3.961 0.004 1 1202 100 100 SER C C 176.481 0.02 1 1203 100 100 SER CA C 61.726 0.024 1 1204 100 100 SER CB C 63.631 0.037 1 1205 100 100 SER N N 117.555 0.007 1 1206 101 101 CYS H H 8.045 0.007 1 1207 101 101 CYS HA H 4.219 0.003 1 1208 101 101 CYS HB2 H 2.95 0.003 2 1209 101 101 CYS HB3 H 2.85 0.008 2 1210 101 101 CYS C C 175.013 0.02 1 1211 101 101 CYS CA C 61.539 0.038 1 1212 101 101 CYS CB C 27.83 0.047 1 1213 101 101 CYS N N 117.332 0.023 1 1214 102 102 LYS H H 6.746 0.005 1 1215 102 102 LYS HA H 3.474 0.002 1 1216 102 102 LYS HB2 H 1.884 0.006 2 1217 102 102 LYS HB3 H 1.757 0.004 2 1218 102 102 LYS HG2 H 1.238 0.004 2 1219 102 102 LYS HG3 H 1.386 0.007 2 1220 102 102 LYS HD2 H 1.759 0.02 2 1221 102 102 LYS HD3 H 1.518 0.002 2 1222 102 102 LYS HE2 H 2.65 0.564 1 1223 102 102 LYS HE3 H 2.65 0.564 1 1224 102 102 LYS C C 176.235 0.02 1 1225 102 102 LYS CA C 60.514 0.043 1 1226 102 102 LYS CB C 32.616 0.052 1 1227 102 102 LYS CG C 23.893 0.01 1 1228 102 102 LYS CD C 29.81 0.012 1 1229 102 102 LYS CE C 41.177 0.008 1 1230 102 102 LYS N N 119.849 0.022 1 1231 103 103 SER H H 8.541 0.008 1 1232 103 103 SER HA H 4.283 0.006 1 1233 103 103 SER HB2 H 4.02 0.02 2 1234 103 103 SER HB3 H 3.928 0.003 2 1235 103 103 SER C C 175.322 0.02 1 1236 103 103 SER CA C 63.816 0.022 1 1237 103 103 SER CB C 60.453 0.026 1 1238 103 103 SER N N 113.504 0.04 1 1239 104 104 PRO HA H 4.259 0.009 1 1240 104 104 PRO HB2 H 2.236 0.007 2 1241 104 104 PRO HB3 H 1.773 0.009 2 1242 104 104 PRO HG2 H 2.042 0.005 2 1243 104 104 PRO HG3 H 1.871 0.01 2 1244 104 104 PRO HD2 H 3.594 0.006 1 1245 104 104 PRO HD3 H 3.594 0.006 1 1246 104 104 PRO C C 178.954 0.02 1 1247 104 104 PRO CA C 65.834 0.019 1 1248 104 104 PRO CB C 30.852 0.054 1 1249 104 104 PRO CG C 27.935 0.054 1 1250 104 104 PRO CD C 50.324 0.008 1 1251 105 105 LEU H H 7.182 0.005 1 1252 105 105 LEU HA H 3.963 0.006 1 1253 105 105 LEU HB2 H 1.883 0.009 2 1254 105 105 LEU HB3 H 1.261 0.012 2 1255 105 105 LEU HG H 1.255 0.011 1 1256 105 105 LEU HD1 H 0.494 0.004 2 1257 105 105 LEU HD2 H 0.761 0.008 2 1258 105 105 LEU C C 177.514 0.02 1 1259 105 105 LEU CA C 58.221 0.028 1 1260 105 105 LEU CB C 41.356 0.025 1 1261 105 105 LEU CG C 27.857 0.045 1 1262 105 105 LEU CD1 C 26.771 0.014 2 1263 105 105 LEU CD2 C 23.172 0.019 2 1264 105 105 LEU N N 118.584 0.006 1 1265 106 106 LEU H H 7.763 0.005 1 1266 106 106 LEU HA H 3.8 0.001 1 1267 106 106 LEU HB2 H 1.744 0.005 2 1268 106 106 LEU HB3 H 1.315 0.009 2 1269 106 106 LEU HG H 1.138 0.009 1 1270 106 106 LEU HD1 H 0.344 0.004 2 1271 106 106 LEU HD2 H 0.037 0.009 2 1272 106 106 LEU C C 178.667 0.02 1 1273 106 106 LEU CA C 57.227 0.013 1 1274 106 106 LEU CB C 40.557 0.02 1 1275 106 106 LEU CG C 27.348 0.018 1 1276 106 106 LEU CD1 C 25.316 0.001 2 1277 106 106 LEU CD2 C 21.468 0.007 2 1278 106 106 LEU N N 119.296 0.007 1 1279 107 107 GLU H H 8.037 0.005 1 1280 107 107 GLU HA H 4.087 0.006 1 1281 107 107 GLU HB2 H 2.044 0.003 1 1282 107 107 GLU HB3 H 2.044 0.003 1 1283 107 107 GLU HG2 H 2.169 0.005 1 1284 107 107 GLU HG3 H 2.169 0.005 1 1285 107 107 GLU C C 179.183 0.02 1 1286 107 107 GLU CA C 59.809 0.035 1 1287 107 107 GLU CB C 29.532 0.023 1 1288 107 107 GLU CG C 36.586 0.03 1 1289 107 107 GLU N N 120.281 0.018 1 1290 108 108 ILE H H 7.645 0.004 1 1291 108 108 ILE HA H 3.766 0.004 1 1292 108 108 ILE HB H 2.074 0.006 1 1293 108 108 ILE HG12 H 1.779 0.01 2 1294 108 108 ILE HG13 H 1.19 0.008 2 1295 108 108 ILE HG2 H 0.905 0.009 1 1296 108 108 ILE HD1 H 0.867 0.008 1 1297 108 108 ILE C C 178.657 0.02 1 1298 108 108 ILE CA C 65.278 0.013 1 1299 108 108 ILE CB C 38.037 0.017 1 1300 108 108 ILE CG2 C 16.972 0.015 1 1301 108 108 ILE CD1 C 13.716 0.014 1 1302 108 108 ILE N N 120.322 0.011 1 1303 109 109 VAL H H 7.844 0.007 1 1304 109 109 VAL HA H 3.512 0.003 1 1305 109 109 VAL HB H 2.092 0.008 1 1306 109 109 VAL HG1 H 0.849 0.004 2 1307 109 109 VAL HG2 H 0.734 0.006 2 1308 109 109 VAL C C 177.101 0.02 1 1309 109 109 VAL CA C 66.603 0.081 1 1310 109 109 VAL CB C 31.675 0.063 1 1311 109 109 VAL CG1 C 22.542 0.021 2 1312 109 109 VAL CG2 C 22.543 0.002 2 1313 109 109 VAL N N 117.967 0.055 1 1314 110 110 GLU H H 8.433 0.006 1 1315 110 110 GLU HA H 4.352 0.003 1 1316 110 110 GLU HB2 H 2.117 0.005 2 1317 110 110 GLU HB3 H 2.011 0.009 2 1318 110 110 GLU HG2 H 2.466 0.005 2 1319 110 110 GLU HG3 H 2.194 0.007 2 1320 110 110 GLU C C 178.792 0.02 1 1321 110 110 GLU CA C 59.449 0.042 1 1322 110 110 GLU CB C 30.662 0.068 1 1323 110 110 GLU CG C 37.363 0.019 1 1324 110 110 GLU N N 118.151 0.061 1 1325 111 111 ARG H H 8.347 0.008 1 1326 111 111 ARG HA H 4.325 0.006 1 1327 111 111 ARG HB2 H 2.026 0.008 2 1328 111 111 ARG HB3 H 1.908 0.008 2 1329 111 111 ARG HG2 H 1.768 0.003 2 1330 111 111 ARG HG3 H 1.623 0.005 2 1331 111 111 ARG HD2 H 3.178 0.01 1 1332 111 111 ARG HD3 H 3.178 0.01 1 1333 111 111 ARG HE H 6.633 0.002 1 1334 111 111 ARG C C 178.232 0.02 1 1335 111 111 ARG CA C 58.185 0.025 1 1336 111 111 ARG CB C 30.905 0.045 1 1337 111 111 ARG CG C 27.519 0.29 1 1338 111 111 ARG CD C 43.195 0.083 1 1339 111 111 ARG N N 116.357 0.082 1 1340 111 111 ARG NE N 98.768 16.031 1 1341 112 112 GLN H H 8.287 0.005 1 1342 112 112 GLN HA H 4.423 0.002 1 1343 112 112 GLN HB2 H 2.336 0.002 1 1344 112 112 GLN HB3 H 2.336 0.002 1 1345 112 112 GLN HG2 H 2.471 0.004 2 1346 112 112 GLN HG3 H 2.381 0.005 2 1347 112 112 GLN HE21 H 7.519 0.02 2 1348 112 112 GLN HE22 H 6.612 0.02 2 1349 112 112 GLN C C 177.745 0.02 1 1350 112 112 GLN CA C 58.23 0.02 1 1351 112 112 GLN CB C 28.955 0.063 1 1352 112 112 GLN CG C 34.381 0.002 1 1353 112 112 GLN CD C 178.98 0.02 1 1354 112 112 GLN N N 116.668 0.023 1 1355 112 112 GLN NE2 N 111.167 0.002 1 1356 113 113 LEU H H 7.507 0.006 1 1357 113 113 LEU HA H 4.446 0.002 1 1358 113 113 LEU HB2 H 2.071 0.007 2 1359 113 113 LEU HB3 H 1.434 0.01 2 1360 113 113 LEU HG H 1.334 0.005 1 1361 113 113 LEU HD1 H 0.378 0.005 2 1362 113 113 LEU HD2 H 0.577 0.009 2 1363 113 113 LEU C C 176.113 0.02 1 1364 113 113 LEU CA C 54.768 0.032 1 1365 113 113 LEU CB C 42.414 0.047 1 1366 113 113 LEU CG C 27.185 0.046 1 1367 113 113 LEU CD1 C 26.276 0.011 2 1368 113 113 LEU CD2 C 23.751 0.02 2 1369 113 113 LEU N N 116.119 0.032 1 1370 114 114 GLN H H 7.026 0.009 1 1371 114 114 GLN HA H 4.024 0.005 1 1372 114 114 GLN HB2 H 2.146 0.014 1 1373 114 114 GLN HB3 H 2.146 0.014 1 1374 114 114 GLN HG2 H 2.212 0.02 2 1375 114 114 GLN HG3 H 2.14 0.02 2 1376 114 114 GLN HE21 H 7.455 0.02 2 1377 114 114 GLN HE22 H 6.688 0.02 2 1378 114 114 GLN C C 174.964 0.02 1 1379 114 114 GLN CA C 56.784 0.023 1 1380 114 114 GLN CB C 26.122 0.068 1 1381 114 114 GLN CG C 34.646 0.002 1 1382 114 114 GLN CD C 181.298 0.02 1 1383 114 114 GLN N N 113.512 0.011 1 1384 114 114 GLN NE2 N 112.775 0.001 1 1385 115 115 MET H H 7.687 0.008 1 1386 115 115 MET HA H 4.222 0.004 1 1387 115 115 MET HB2 H 1.695 0.009 2 1388 115 115 MET HB3 H 1.546 0.009 2 1389 115 115 MET HG2 H 2.26 0.006 2 1390 115 115 MET HG3 H 2.126 0.003 2 1391 115 115 MET HE H 1.863 0.02 1 1392 115 115 MET C C 174.655 0.02 1 1393 115 115 MET CA C 55.674 0.025 1 1394 115 115 MET CB C 35.265 0.037 1 1395 115 115 MET CG C 31.558 0.015 1 1396 115 115 MET CE C 17.603 0.02 1 1397 115 115 MET N N 119.237 0.019 1 1398 116 116 ASP H H 8.716 0.005 1 1399 116 116 ASP HA H 4.566 0.009 1 1400 116 116 ASP HB2 H 2.722 0.008 2 1401 116 116 ASP HB3 H 2.525 0.008 2 1402 116 116 ASP C C 175.333 0.02 1 1403 116 116 ASP CA C 53.609 0.039 1 1404 116 116 ASP CB C 40.558 0.007 1 1405 116 116 ASP N N 125.75 0.044 1 1406 117 117 VAL H H 8.555 0.006 1 1407 117 117 VAL HA H 4.149 0.004 1 1408 117 117 VAL HB H 2.049 0.008 1 1409 117 117 VAL HG1 H 0.881 0.001 2 1410 117 117 VAL HG2 H 0.87 0.012 2 1411 117 117 VAL C C 176.722 0.02 1 1412 117 117 VAL CA C 62.001 0.039 1 1413 117 117 VAL CB C 31.48 0.021 1 1414 117 117 VAL CG1 C 23.404 0.003 2 1415 117 117 VAL CG2 C 21.741 0.013 2 1416 117 117 VAL N N 126.097 0.015 1 1417 118 118 ILE H H 8.794 0.005 1 1418 118 118 ILE HA H 4.11 0.004 1 1419 118 118 ILE HB H 1.94 0.004 1 1420 118 118 ILE HG12 H 1.548 0.008 2 1421 118 118 ILE HG13 H 1.384 0.006 2 1422 118 118 ILE HG2 H 0.956 0.007 1 1423 118 118 ILE HD1 H 0.801 0.004 1 1424 118 118 ILE C C 175.055 0.02 1 1425 118 118 ILE CA C 62.618 0.02 1 1426 118 118 ILE CB C 38.555 0.015 1 1427 118 118 ILE CG1 C 28.985 0.023 1 1428 118 118 ILE CG2 C 18.233 0.039 1 1429 118 118 ILE CD1 C 12.913 0.004 1 1430 118 118 ILE N N 128.94 0.036 1 1431 119 119 ARG H H 7.088 0.007 1 1432 119 119 ARG HA H 4.511 0.005 1 1433 119 119 ARG HB2 H 1.666 0.007 2 1434 119 119 ARG HB3 H 1.533 0.004 2 1435 119 119 ARG HG2 H 1.528 0.006 2 1436 119 119 ARG HG3 H 1.378 0.005 2 1437 119 119 ARG HD2 H 3.431 0.003 1 1438 119 119 ARG HD3 H 3.431 0.003 1 1439 119 119 ARG HE H 6.918 0.002 1 1440 119 119 ARG C C 172.895 0.02 1 1441 119 119 ARG CA C 53.988 0.053 1 1442 119 119 ARG CB C 34.493 0.034 1 1443 119 119 ARG CG C 26.944 0.02 1 1444 119 119 ARG CD C 41.927 0.041 1 1445 119 119 ARG N N 117.343 0.024 1 1446 119 119 ARG NE N 84.572 0.248 1 1447 120 120 LYS H H 8.647 0.004 1 1448 120 120 LYS HA H 5.282 0.001 1 1449 120 120 LYS HB2 H 2.008 0.005 2 1450 120 120 LYS HB3 H 1.864 0.011 2 1451 120 120 LYS HG2 H 1.364 0.003 1 1452 120 120 LYS HG3 H 1.364 0.003 1 1453 120 120 LYS HD2 H 1.66 0.004 1 1454 120 120 LYS HD3 H 1.66 0.004 1 1455 120 120 LYS HE2 H 2.767 0.004 1 1456 120 120 LYS HE3 H 2.767 0.004 1 1457 120 120 LYS C C 175.11 0.02 1 1458 120 120 LYS CA C 55.97 0.023 1 1459 120 120 LYS CB C 32.61 0.046 1 1460 120 120 LYS CG C 25.618 0.008 1 1461 120 120 LYS CD C 30.15 0.022 1 1462 120 120 LYS CE C 42.268 0.014 1 1463 120 120 LYS N N 126.581 0.02 1 1464 121 121 ILE H H 9.205 0.004 1 1465 121 121 ILE HA H 4.409 0.004 1 1466 121 121 ILE HB H 1.635 0.008 1 1467 121 121 ILE HG12 H 0.925 0.007 2 1468 121 121 ILE HG13 H 1.307 0.007 2 1469 121 121 ILE HG2 H 0.813 0.009 1 1470 121 121 ILE HD1 H 0.487 0.009 1 1471 121 121 ILE C C 174.277 0.02 1 1472 121 121 ILE CA C 60.528 0.029 1 1473 121 121 ILE CB C 41.71 0.036 1 1474 121 121 ILE CG1 C 27.47 0.03 1 1475 121 121 ILE CG2 C 17.793 0.001 1 1476 121 121 ILE CD1 C 14.194 0.024 1 1477 121 121 ILE N N 125.121 0.026 1 1478 122 122 GLU H H 8.787 0.006 1 1479 122 122 GLU HA H 5.378 0.003 1 1480 122 122 GLU HB2 H 1.979 0.006 1 1481 122 122 GLU HB3 H 1.979 0.006 1 1482 122 122 GLU HG2 H 2.183 0.005 2 1483 122 122 GLU HG3 H 2.348 0.003 2 1484 122 122 GLU C C 175.299 0.02 1 1485 122 122 GLU CA C 55.174 0.017 1 1486 122 122 GLU CB C 31.219 0.062 1 1487 122 122 GLU CG C 36.789 0.023 1 1488 122 122 GLU N N 128.458 0.037 1 1489 123 123 ILE H H 8.251 0.005 1 1490 123 123 ILE HA H 4.713 0.005 1 1491 123 123 ILE HB H 1.719 0.007 1 1492 123 123 ILE HG12 H 0.858 0.007 2 1493 123 123 ILE HG13 H 0.54 0.008 2 1494 123 123 ILE HG2 H 0.589 0.007 1 1495 123 123 ILE HD1 H 0.411 0.006 1 1496 123 123 ILE C C 173.888 0.02 1 1497 123 123 ILE CA C 58.698 0.025 1 1498 123 123 ILE CB C 42.623 0.031 1 1499 123 123 ILE CG1 C 25.979 0.005 1 1500 123 123 ILE CG2 C 18.645 0.003 1 1501 123 123 ILE CD1 C 14.736 0.023 1 1502 123 123 ILE N N 116.853 0.021 1 1503 124 124 ASP H H 8.672 0.005 1 1504 124 124 ASP HA H 4.667 0.006 1 1505 124 124 ASP HB2 H 2.679 0.003 2 1506 124 124 ASP HB3 H 2.48 0.008 2 1507 124 124 ASP C C 175.681 0.02 1 1508 124 124 ASP CA C 53.593 0.007 1 1509 124 124 ASP CB C 42.841 0.051 1 1510 124 124 ASP N N 120.923 0.07 1 1511 125 125 ASN H H 7.358 0.004 1 1512 125 125 ASN HA H 4.601 0.002 1 1513 125 125 ASN HB2 H 2.737 0.008 2 1514 125 125 ASN HB3 H 2.649 0.004 2 1515 125 125 ASN HD21 H 7.8 0.02 2 1516 125 125 ASN HD22 H 6.848 0.02 2 1517 125 125 ASN C C 175.662 0.02 1 1518 125 125 ASN CA C 52.427 0.02 1 1519 125 125 ASN CB C 40.546 0.007 1 1520 125 125 ASN CG C 176.91 0.01 1 1521 125 125 ASN N N 114.551 0.01 1 1522 125 125 ASN ND2 N 113.638 0.005 1 1523 126 126 GLY H H 8.993 0.005 1 1524 126 126 GLY HA2 H 3.732 0.009 2 1525 126 126 GLY HA3 H 3.406 0.001 2 1526 126 126 GLY C C 174.07 0.02 1 1527 126 126 GLY CA C 47.25 0.031 1 1528 126 126 GLY N N 111.384 0.034 1 1529 127 127 ASP H H 8.009 0.004 1 1530 127 127 ASP HA H 4.18 0.003 1 1531 127 127 ASP HB2 H 2.494 0.005 1 1532 127 127 ASP HB3 H 2.494 0.005 1 1533 127 127 ASP C C 177.423 0.02 1 1534 127 127 ASP CA C 56.256 0.078 1 1535 127 127 ASP CB C 39.776 0.048 1 1536 127 127 ASP N N 118.727 0.004 1 1537 128 128 GLU H H 7.523 0.007 1 1538 128 128 GLU HA H 3.85 0.001 1 1539 128 128 GLU HB2 H 1.566 0.007 2 1540 128 128 GLU HB3 H 1.488 0.006 2 1541 128 128 GLU HG2 H 1.926 0.004 2 1542 128 128 GLU HG3 H 2.076 0.008 2 1543 128 128 GLU C C 177.293 0.02 1 1544 128 128 GLU CA C 57.023 0.052 1 1545 128 128 GLU CB C 30.08 0.016 1 1546 128 128 GLU CG C 36.573 0.038 1 1547 128 128 GLU N N 117.268 0.035 1 1548 129 129 LEU H H 7.188 0.005 1 1549 129 129 LEU HA H 4.024 0.005 1 1550 129 129 LEU HB2 H 1.616 0.007 2 1551 129 129 LEU HB3 H 1.119 0.004 2 1552 129 129 LEU HG H 1.295 0.004 1 1553 129 129 LEU HD1 H 0.504 0.002 2 1554 129 129 LEU HD2 H 0.546 0.003 2 1555 129 129 LEU C C 174.7 0.02 1 1556 129 129 LEU CA C 53.655 0.015 1 1557 129 129 LEU CB C 39.465 0.036 1 1558 129 129 LEU CD1 C 26.564 0.011 2 1559 129 129 LEU CD2 C 23.366 0.013 2 1560 129 129 LEU N N 118.562 0.016 1 1561 130 130 THR H H 7.863 0.004 1 1562 130 130 THR HA H 4.302 0.003 1 1563 130 130 THR HB H 4.692 0.007 1 1564 130 130 THR HG2 H 1.17 0.004 1 1565 130 130 THR C C 174.804 0.02 1 1566 130 130 THR CA C 59.814 0.043 1 1567 130 130 THR CB C 71.413 0.054 1 1568 130 130 THR CG2 C 21.922 0.005 1 1569 130 130 THR N N 114.008 0.016 1 1570 131 131 ALA H H 8.773 0.006 1 1571 131 131 ALA HA H 4.072 0.005 1 1572 131 131 ALA HB H 1.569 0.005 1 1573 131 131 ALA C C 180.107 0.02 1 1574 131 131 ALA CA C 55.911 0.047 1 1575 131 131 ALA CB C 18.587 0.056 1 1576 131 131 ALA N N 122.694 0.025 1 1577 132 132 ASP H H 8.225 0.005 1 1578 132 132 ASP HA H 4.468 0.004 1 1579 132 132 ASP HB2 H 2.782 0.006 2 1580 132 132 ASP HB3 H 2.527 0.008 2 1581 132 132 ASP C C 177.303 0.02 1 1582 132 132 ASP CA C 56.853 0.052 1 1583 132 132 ASP CB C 40.7 0.044 1 1584 132 132 ASP N N 116.509 0.008 1 1585 133 133 PHE H H 7.776 0.005 1 1586 133 133 PHE HA H 4.303 0.004 1 1587 133 133 PHE HB2 H 3.329 0.005 2 1588 133 133 PHE HB3 H 3.138 0.005 2 1589 133 133 PHE HD1 H 7.053 0.004 1 1590 133 133 PHE HD2 H 7.053 0.004 1 1591 133 133 PHE C C 177.503 0.02 1 1592 133 133 PHE CA C 60.894 0.05 1 1593 133 133 PHE CB C 40.451 0.036 1 1594 133 133 PHE CD1 C 132.066 0.02 1 1595 133 133 PHE CD2 C 132.066 0.02 1 1596 133 133 PHE N N 121.559 0.013 1 1597 134 134 LEU H H 8.092 0.006 1 1598 134 134 LEU HA H 3.382 0.002 1 1599 134 134 LEU HB2 H 1.26 0.007 2 1600 134 134 LEU HB3 H 0.86 0.008 2 1601 134 134 LEU HG H 1.154 0.006 1 1602 134 134 LEU HD1 H 0.374 0.001 2 1603 134 134 LEU HD2 H 0.267 0.007 2 1604 134 134 LEU C C 177.802 0.02 1 1605 134 134 LEU CA C 57.651 0.057 1 1606 134 134 LEU CB C 41.044 0.023 1 1607 134 134 LEU CG C 27.786 0.035 1 1608 134 134 LEU CD1 C 24.84 0.001 2 1609 134 134 LEU CD2 C 24.322 0.019 2 1610 134 134 LEU N N 118.6 0.028 1 1611 135 135 TYR H H 7.92 0.005 1 1612 135 135 TYR HA H 3.951 0.006 1 1613 135 135 TYR HB2 H 3.325 0.003 2 1614 135 135 TYR HB3 H 3.071 0.005 2 1615 135 135 TYR HD1 H 7.429 0.006 1 1616 135 135 TYR HD2 H 7.429 0.006 1 1617 135 135 TYR HE1 H 7.248 0.02 1 1618 135 135 TYR HE2 H 7.248 0.02 1 1619 135 135 TYR C C 177.238 0.02 1 1620 135 135 TYR CA C 63.856 0.037 1 1621 135 135 TYR CB C 38.337 0.056 1 1622 135 135 TYR CD1 C 133.632 0.02 1 1623 135 135 TYR CD2 C 133.632 0.02 1 1624 135 135 TYR CE1 C 120.564 0.02 1 1625 135 135 TYR CE2 C 120.564 0.02 1 1626 135 135 TYR N N 119.191 0.009 1 1627 136 136 ASP H H 7.831 0.006 1 1628 136 136 ASP HA H 4.208 0.004 1 1629 136 136 ASP HB2 H 2.76 0.008 2 1630 136 136 ASP HB3 H 2.557 0.004 2 1631 136 136 ASP C C 178.328 0.02 1 1632 136 136 ASP CA C 56.669 0.021 1 1633 136 136 ASP CB C 40.521 0.014 1 1634 136 136 ASP N N 117.887 0.033 1 1635 137 137 GLU H H 7.676 0.005 1 1636 137 137 GLU HA H 3.739 0.005 1 1637 137 137 GLU HB2 H 1.544 0.021 1 1638 137 137 GLU HB3 H 1.544 0.021 1 1639 137 137 GLU HG2 H 1.512 0.005 2 1640 137 137 GLU HG3 H 1.239 0.006 2 1641 137 137 GLU C C 178.53 0.02 1 1642 137 137 GLU CA C 57.791 0.038 1 1643 137 137 GLU CB C 29.886 0.058 1 1644 137 137 GLU CG C 35.967 0.027 1 1645 137 137 GLU N N 117.498 0.007 1 1646 138 138 VAL H H 7.879 0.006 1 1647 138 138 VAL HA H 3.191 0.006 1 1648 138 138 VAL HB H 1.575 0.004 1 1649 138 138 VAL HG1 H 0.678 0.008 2 1650 138 138 VAL HG2 H 0.076 0.008 2 1651 138 138 VAL C C 174.685 0.02 1 1652 138 138 VAL CA C 65.736 0.04 1 1653 138 138 VAL CB C 32.34 0.042 1 1654 138 138 VAL CG1 C 24.002 0.024 2 1655 138 138 VAL CG2 C 21.81 0.003 2 1656 138 138 VAL N N 118.371 0.025 1 1657 139 139 HIS H H 8.306 0.005 1 1658 139 139 HIS HA H 4.76 0.02 1 1659 139 139 HIS HB2 H 2.421 0.02 1 1660 139 139 HIS HB3 H 2.421 0.02 1 1661 139 139 HIS HD2 H 6.102 0.004 1 1662 139 139 HIS HE1 H 7.843 0.02 1 1663 139 139 HIS C C 170.553 0.02 1 1664 139 139 HIS CA C 51.982 0.06 1 1665 139 139 HIS CB C 27.498 0.036 1 1666 139 139 HIS CD2 C 122.775 0.02 1 1667 139 139 HIS CE1 C 138.108 0.02 1 1668 139 139 HIS N N 118.13 0.019 1 1669 140 140 PRO HA H 4.58 0.001 1 1670 140 140 PRO HB2 H 1.889 0.004 2 1671 140 140 PRO HB3 H 2.285 0.008 2 1672 140 140 PRO HG2 H 1.859 0.006 1 1673 140 140 PRO HG3 H 1.859 0.006 1 1674 140 140 PRO HD2 H 3.363 0.004 2 1675 140 140 PRO HD3 H 3.155 0.005 2 1676 140 140 PRO C C 177.841 0.02 1 1677 140 140 PRO CA C 63.273 0.01 1 1678 140 140 PRO CB C 32.414 0.023 1 1679 140 140 PRO CG C 27.168 0.011 1 1680 140 140 PRO CD C 50.293 0.018 1 1681 141 141 LYS H H 8.605 0.006 1 1682 141 141 LYS HA H 4.31 0.002 1 1683 141 141 LYS HB2 H 1.894 0.003 2 1684 141 141 LYS HB3 H 1.81 0.006 2 1685 141 141 LYS HG2 H 1.585 0.001 1 1686 141 141 LYS HG3 H 1.585 0.001 1 1687 141 141 LYS HD2 H 1.755 0.005 1 1688 141 141 LYS HD3 H 1.755 0.005 1 1689 141 141 LYS HE2 H 3.09 0.005 1 1690 141 141 LYS HE3 H 3.09 0.005 1 1691 141 141 LYS C C 176.251 0.02 1 1692 141 141 LYS CA C 56.744 0.071 1 1693 141 141 LYS CB C 33.002 0.017 1 1694 141 141 LYS CG C 24.938 0.018 1 1695 141 141 LYS CD C 29.174 0.004 1 1696 141 141 LYS CE C 42.349 0.037 1 1697 141 141 LYS N N 122.786 0.029 1 1698 142 142 GLN H H 8.037 0.004 1 1699 142 142 GLN HA H 4.191 0.007 1 1700 142 142 GLN HB2 H 2.116 0.006 2 1701 142 142 GLN HB3 H 1.928 0.007 2 1702 142 142 GLN HG2 H 2.297 0.008 1 1703 142 142 GLN HG3 H 2.297 0.008 1 1704 142 142 GLN HE21 H 7.537 0.002 2 1705 142 142 GLN HE22 H 6.874 0.002 2 1706 142 142 GLN CA C 57.197 0.027 1 1707 142 142 GLN CB C 30.694 0.04 1 1708 142 142 GLN CG C 34.373 0.012 1 1709 142 142 GLN CD C 181.36 0.01 1 1710 142 142 GLN N N 126.823 0.005 1 1711 142 142 GLN NE2 N 112.509 0.005 1 stop_ save_