data_17905 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of the Anticodon Binding Domain of Human Lysyl Aminoacyl tRNA Synthetase ; _BMRB_accession_number 17905 _BMRB_flat_file_name bmr17905.str _Entry_type original _Submission_date 2011-08-31 _Accession_date 2011-08-31 _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 Liu Sheng . . 2 Tsang Pearl . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 631 "13C chemical shifts" 490 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update BMRB 'update entry citation' 2011-12-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignment of the anticodon binding domain of human lysyl aminoacyl tRNA synthetase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22105307 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Sheng . . 2 Howell Michael . . 3 Melby Joel . . 4 Tsang Pearl . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 173 _Page_last 176 _Year 2012 _Details . loop_ _Keyword 'anticodon binding domain' HIV-1 LysRS tRNALys,3 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GED_rrACBcs _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GED_rrACBcs $GED_rrACBcs stop_ _System_molecular_weight 14210.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GED_rrACBcs _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GED_rrACBcs _Molecular_mass 14210.3 _Mol_thiol_state 'not present' loop_ _Biological_function "Specifically binds to the anticodon 'UUU' of lysyl-tRNA" stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GEDPYPHKFHVDISLTDFIQ KYSHLQPGDHLTDITLKVAG RIHAKRASGGKLIFYDLRGE GVKLQVMANSRNYKSEEEFI HINNKLRRGDIIGVQGNPGK TKKGELSIIPYEITLLSPSL HMLPHL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 GLY 2 92 GLU 3 93 ASP 4 94 PRO 5 95 TYR 6 96 PRO 7 97 HIS 8 98 LYS 9 99 PHE 10 100 HIS 11 101 VAL 12 102 ASP 13 103 ILE 14 104 SER 15 105 LEU 16 106 THR 17 107 ASP 18 108 PHE 19 109 ILE 20 110 GLN 21 111 LYS 22 112 TYR 23 113 SER 24 114 HIS 25 115 LEU 26 116 GLN 27 117 PRO 28 118 GLY 29 119 ASP 30 120 HIS 31 121 LEU 32 122 THR 33 123 ASP 34 124 ILE 35 125 THR 36 126 LEU 37 127 LYS 38 128 VAL 39 129 ALA 40 130 GLY 41 131 ARG 42 132 ILE 43 133 HIS 44 134 ALA 45 135 LYS 46 136 ARG 47 137 ALA 48 138 SER 49 139 GLY 50 140 GLY 51 141 LYS 52 142 LEU 53 143 ILE 54 144 PHE 55 145 TYR 56 146 ASP 57 147 LEU 58 148 ARG 59 149 GLY 60 150 GLU 61 151 GLY 62 152 VAL 63 153 LYS 64 154 LEU 65 155 GLN 66 156 VAL 67 157 MET 68 158 ALA 69 159 ASN 70 160 SER 71 161 ARG 72 162 ASN 73 163 TYR 74 164 LYS 75 165 SER 76 166 GLU 77 167 GLU 78 168 GLU 79 169 PHE 80 170 ILE 81 171 HIS 82 172 ILE 83 173 ASN 84 174 ASN 85 175 LYS 86 176 LEU 87 177 ARG 88 178 ARG 89 179 GLY 90 180 ASP 91 181 ILE 92 182 ILE 93 183 GLY 94 184 VAL 95 185 GLN 96 186 GLY 97 187 ASN 98 188 PRO 99 189 GLY 100 190 LYS 101 191 THR 102 192 LYS 103 193 LYS 104 194 GLY 105 195 GLU 106 196 LEU 107 197 SER 108 198 ILE 109 199 ILE 110 200 PRO 111 201 TYR 112 202 GLU 113 203 ILE 114 204 THR 115 205 LEU 116 206 LEU 117 207 SER 118 208 PRO 119 209 SER 120 210 LEU 121 211 HIS 122 212 MET 123 213 LEU 124 214 PRO 125 215 HIS 126 216 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3BJU "Crystal Structure Of Tetrameric Form Of Human Lysyl-Trna Synthetase" 100.00 521 99.21 99.21 7.44e-81 PDB 4DPG "Crystal Structure Of Human Lysrs: P38/aimp2 Complex I" 100.00 513 99.21 99.21 4.17e-81 PDB 4YCU "Crystal Structure Of Cladosporin In Complex With Human Lysyl-trna Synthetase" 100.00 513 99.21 99.21 4.17e-81 PDB 4YCW "Crystal Structure Of Cladosporin In Complex With Plasmodium Like Human Lysyl-trna Synthetase Mutant" 100.00 513 99.21 99.21 3.37e-81 DBJ BAA06688 "KIAA0070 [Homo sapiens]" 100.00 601 99.21 99.21 6.23e-81 DBJ BAA22084 "Lysyl tRNA Synthetase [Homo sapiens]" 100.00 597 99.21 99.21 4.52e-81 DBJ BAG09591 "lysyl-tRNA synthetase [synthetic construct]" 100.00 597 99.21 99.21 4.62e-81 EMBL CAH89490 "hypothetical protein [Pongo abelii]" 100.00 625 99.21 99.21 1.20e-80 GB AAG30114 "lysyl-tRNA synthetase [Homo sapiens]" 100.00 625 99.21 99.21 9.51e-81 GB AAH04132 "Lysyl-tRNA synthetase [Homo sapiens]" 100.00 597 99.21 99.21 4.52e-81 GB ABM83227 "lysyl-tRNA synthetase [synthetic construct]" 100.00 597 99.21 99.21 4.52e-81 GB ABM86426 "lysyl-tRNA synthetase [synthetic construct]" 100.00 597 99.21 99.21 4.52e-81 GB AIC54646 "KARS, partial [synthetic construct]" 100.00 597 99.21 99.21 4.52e-81 REF NP_001123561 "lysine--tRNA ligase isoform 1 [Homo sapiens]" 100.00 625 99.21 99.21 1.14e-80 REF NP_001127155 "lysine--tRNA ligase [Pongo abelii]" 100.00 625 99.21 99.21 1.20e-80 REF NP_001244522 "lysine--tRNA ligase [Macaca mulatta]" 100.00 625 98.41 99.21 6.08e-80 REF NP_005539 "lysine--tRNA ligase isoform 2 [Homo sapiens]" 100.00 597 99.21 99.21 4.52e-81 REF XP_002761205 "PREDICTED: lysine--tRNA ligase isoform X1 [Callithrix jacchus]" 100.00 625 97.62 99.21 9.59e-80 SP Q15046 "RecName: Full=Lysine--tRNA ligase; AltName: Full=Lysyl-tRNA synthetase; Short=LysRS" 100.00 597 99.21 99.21 4.52e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $GED_rrACBcs Human 9606 Eukaryota Metazoa Homo sapiens LysRS 'Anticodon binding domain of human LysRS' 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 $GED_rrACBcs 'recombinant technology' . Escherichia coli 'BL21 DE3 pLysS' pET-30 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 20 mM NaCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.8, 298.15 K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GED_rrACBcs 1.3 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard 'University of California, San Francisco' . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _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_HN(CA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, 20 mM NaCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.8, 298.15 K.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 40 . mM pH 6.8 . pH pressure 1 . atm temperature 298.15 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CA)CB' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aromatic' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GED_rrACBcs _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 92 2 GLU HA H 4.344 0.02 1 2 92 2 GLU HB2 H 2.029 0.02 2 3 92 2 GLU HB3 H 1.871 0.02 2 4 92 2 GLU HG2 H 2.236 0.02 2 5 92 2 GLU C C 176.029 0.2 1 6 92 2 GLU CA C 56.062 0.2 1 7 92 2 GLU CB C 30.642 0.2 1 8 92 2 GLU CG C 36.218 0.2 1 9 93 3 ASP H H 8.527 0.02 1 10 93 3 ASP HA H 4.809 0.02 1 11 93 3 ASP HB2 H 2.685 0.02 2 12 93 3 ASP HB3 H 2.489 0.02 2 13 93 3 ASP CA C 52.486 0.2 1 14 93 3 ASP CB C 41.034 0.2 1 15 93 3 ASP N N 124.476 0.2 1 16 94 4 PRO HA H 4.331 0.02 1 17 94 4 PRO HB2 H 2.119 0.02 2 18 94 4 PRO HB3 H 1.633 0.02 2 19 94 4 PRO HG2 H 1.939 0.02 2 20 94 4 PRO HG3 H 1.792 0.02 2 21 94 4 PRO HD2 H 3.792 0.02 2 22 94 4 PRO HD3 H 3.701 0.02 2 23 94 4 PRO C C 176.353 0.2 1 24 94 4 PRO CA C 63.253 0.2 1 25 94 4 PRO CB C 31.918 0.2 1 26 94 4 PRO CG C 26.910 0.2 1 27 94 4 PRO CD C 50.619 0.2 1 28 95 5 TYR H H 8.133 0.02 1 29 95 5 TYR HA H 4.804 0.02 1 30 95 5 TYR HB2 H 2.998 0.02 2 31 95 5 TYR HB3 H 2.872 0.02 2 32 95 5 TYR HD1 H 7.116 0.02 3 33 95 5 TYR HE1 H 6.808 0.02 3 34 95 5 TYR CA C 55.678 0.2 1 35 95 5 TYR CB C 38.361 0.2 1 36 95 5 TYR CD1 C 133.470 0.2 3 37 95 5 TYR CE1 C 118.182 0.2 3 38 95 5 TYR N N 121.226 0.2 1 39 98 8 LYS HA H 4.261 0.02 1 40 98 8 LYS HB2 H 1.649 0.02 2 41 98 8 LYS HB3 H 1.582 0.02 2 42 98 8 LYS HG2 H 1.131 0.02 2 43 98 8 LYS HE2 H 2.892 0.02 2 44 98 8 LYS C C 175.228 0.2 1 45 98 8 LYS CA C 55.942 0.2 1 46 98 8 LYS CB C 33.608 0.2 1 47 98 8 LYS CG C 24.759 0.2 1 48 99 9 PHE H H 8.719 0.02 1 49 99 9 PHE HA H 4.301 0.02 1 50 99 9 PHE HB2 H 2.910 0.02 2 51 99 9 PHE HB3 H 2.803 0.02 2 52 99 9 PHE HD1 H 7.030 0.02 3 53 99 9 PHE HE1 H 7.209 0.02 3 54 99 9 PHE CA C 58.647 0.2 1 55 99 9 PHE CB C 41.804 0.2 1 56 99 9 PHE N N 126.736 0.2 1 57 100 10 HIS HA H 4.582 0.02 1 58 100 10 HIS HB2 H 2.829 0.02 2 59 100 10 HIS HB3 H 2.725 0.02 2 60 100 10 HIS HD2 H 6.900 0.02 1 61 100 10 HIS C C 174.092 0.2 1 62 100 10 HIS CA C 54.976 0.2 1 63 100 10 HIS CB C 30.846 0.2 1 64 100 10 HIS CD2 C 120.402 0.2 1 65 101 11 VAL H H 7.898 0.02 1 66 101 11 VAL HA H 3.785 0.02 1 67 101 11 VAL HB H 2.432 0.02 1 68 101 11 VAL HG1 H 1.106 0.02 2 69 101 11 VAL HG2 H 0.855 0.02 2 70 101 11 VAL C C 176.451 0.2 1 71 101 11 VAL CA C 61.504 0.2 1 72 101 11 VAL CB C 32.609 0.2 1 73 101 11 VAL CG1 C 22.982 0.2 2 74 101 11 VAL CG2 C 18.854 0.2 2 75 101 11 VAL N N 119.417 0.2 1 76 102 12 ASP H H 9.192 0.02 1 77 102 12 ASP HA H 4.778 0.02 1 78 102 12 ASP HB2 H 2.883 0.02 2 79 102 12 ASP HB3 H 2.764 0.02 2 80 102 12 ASP C C 175.963 0.2 1 81 102 12 ASP CA C 55.710 0.2 1 82 102 12 ASP CB C 44.253 0.2 1 83 102 12 ASP N N 121.652 0.2 1 84 103 13 ILE H H 7.766 0.02 1 85 103 13 ILE HA H 4.661 0.02 1 86 103 13 ILE HB H 2.016 0.02 1 87 103 13 ILE HG12 H 1.942 0.02 2 88 103 13 ILE HG2 H 1.108 0.02 1 89 103 13 ILE HD1 H 0.951 0.02 1 90 103 13 ILE C C 171.904 0.2 1 91 103 13 ILE CA C 59.646 0.2 1 92 103 13 ILE CB C 41.472 0.2 1 93 103 13 ILE CG1 C 28.839 0.2 1 94 103 13 ILE CG2 C 17.479 0.2 1 95 103 13 ILE CD1 C 14.467 0.2 1 96 103 13 ILE N N 118.531 0.2 1 97 104 14 SER H H 8.830 0.02 1 98 104 14 SER HA H 4.620 0.02 1 99 104 14 SER HB2 H 4.999 0.02 2 100 104 14 SER HB3 H 4.010 0.02 2 101 104 14 SER C C 175.351 0.2 1 102 104 14 SER CA C 57.231 0.2 1 103 104 14 SER CB C 64.501 0.2 1 104 104 14 SER N N 122.262 0.2 1 105 105 15 LEU H H 9.979 0.02 1 106 105 15 LEU HA H 3.980 0.02 1 107 105 15 LEU HB2 H 1.577 0.02 2 108 105 15 LEU HB3 H 1.103 0.02 2 109 105 15 LEU HG H 1.898 0.02 1 110 105 15 LEU HD1 H 0.693 0.02 2 111 105 15 LEU HD2 H 0.552 0.02 2 112 105 15 LEU C C 179.640 0.2 1 113 105 15 LEU CA C 58.717 0.2 1 114 105 15 LEU CB C 41.917 0.2 1 115 105 15 LEU CG C 26.937 0.2 1 116 105 15 LEU CD1 C 25.269 0.2 2 117 105 15 LEU CD2 C 22.901 0.2 2 118 105 15 LEU N N 123.913 0.2 1 119 106 16 THR H H 8.769 0.02 1 120 106 16 THR HA H 3.786 0.02 1 121 106 16 THR HB H 4.122 0.02 1 122 106 16 THR HG2 H 1.289 0.02 1 123 106 16 THR C C 177.272 0.2 1 124 106 16 THR CA C 67.442 0.2 1 125 106 16 THR CB C 69.161 0.2 1 126 106 16 THR CG2 C 21.364 0.2 1 127 106 16 THR N N 113.799 0.2 1 128 107 17 ASP H H 8.226 0.02 1 129 107 17 ASP HA H 4.534 0.02 1 130 107 17 ASP HB2 H 2.926 0.02 2 131 107 17 ASP HB3 H 2.590 0.02 2 132 107 17 ASP C C 178.317 0.2 1 133 107 17 ASP CA C 57.172 0.2 1 134 107 17 ASP CB C 39.546 0.2 1 135 107 17 ASP N N 123.495 0.2 1 136 108 18 PHE H H 8.822 0.02 1 137 108 18 PHE HA H 4.001 0.02 1 138 108 18 PHE HB2 H 3.669 0.02 2 139 108 18 PHE HB3 H 3.146 0.02 2 140 108 18 PHE HD1 H 7.107 0.02 3 141 108 18 PHE HE1 H 7.026 0.02 3 142 108 18 PHE C C 177.195 0.2 1 143 108 18 PHE CA C 62.321 0.2 1 144 108 18 PHE CB C 39.393 0.2 1 145 108 18 PHE CD1 C 132.390 0.2 3 146 108 18 PHE N N 125.082 0.2 1 147 109 19 ILE H H 8.325 0.02 1 148 109 19 ILE HA H 3.793 0.02 1 149 109 19 ILE HB H 2.027 0.02 1 150 109 19 ILE HG12 H 1.414 0.02 2 151 109 19 ILE HG2 H 1.038 0.02 1 152 109 19 ILE HD1 H 1.056 0.02 1 153 109 19 ILE C C 179.039 0.2 1 154 109 19 ILE CA C 64.943 0.2 1 155 109 19 ILE CB C 38.727 0.2 1 156 109 19 ILE CG1 C 29.676 0.2 1 157 109 19 ILE CG2 C 17.426 0.2 1 158 109 19 ILE CD1 C 14.383 0.2 1 159 109 19 ILE N N 118.609 0.2 1 160 110 20 GLN H H 7.673 0.02 1 161 110 20 GLN HA H 4.117 0.02 1 162 110 20 GLN HB2 H 2.214 0.02 2 163 110 20 GLN HG2 H 2.553 0.02 2 164 110 20 GLN HG3 H 2.466 0.02 2 165 110 20 GLN HE21 H 7.484 0.02 2 166 110 20 GLN HE22 H 6.864 0.02 2 167 110 20 GLN C C 178.731 0.2 1 168 110 20 GLN CA C 58.894 0.2 1 169 110 20 GLN CB C 28.834 0.2 1 170 110 20 GLN CG C 33.886 0.2 1 171 110 20 GLN CD C 180.078 0.2 1 172 110 20 GLN N N 119.360 0.2 1 173 110 20 GLN NE2 N 112.839 0.2 1 174 111 21 LYS H H 8.470 0.02 1 175 111 21 LYS HA H 3.851 0.02 1 176 111 21 LYS HB2 H 1.496 0.02 2 177 111 21 LYS HB3 H 1.003 0.02 2 178 111 21 LYS HG2 H 1.086 0.02 2 179 111 21 LYS HG3 H 0.637 0.02 2 180 111 21 LYS HD2 H 1.375 0.02 2 181 111 21 LYS HE2 H 2.854 0.02 2 182 111 21 LYS C C 178.131 0.2 1 183 111 21 LYS CA C 58.995 0.2 1 184 111 21 LYS CB C 33.184 0.2 1 185 111 21 LYS CG C 25.492 0.2 1 186 111 21 LYS CD C 29.380 0.2 1 187 111 21 LYS CE C 41.983 0.2 1 188 111 21 LYS N N 119.476 0.2 1 189 112 22 TYR H H 7.642 0.02 1 190 112 22 TYR HA H 4.804 0.02 1 191 112 22 TYR HB2 H 3.201 0.02 2 192 112 22 TYR HB3 H 2.196 0.02 2 193 112 22 TYR HD1 H 6.418 0.02 3 194 112 22 TYR HE1 H 6.418 0.02 3 195 112 22 TYR C C 175.551 0.2 1 196 112 22 TYR CA C 59.061 0.2 1 197 112 22 TYR CB C 38.076 0.2 1 198 112 22 TYR CD1 C 132.892 0.2 3 199 112 22 TYR CE1 C 117.365 0.2 3 200 112 22 TYR N N 111.826 0.2 1 201 113 23 SER H H 7.621 0.02 1 202 113 23 SER HA H 4.234 0.02 1 203 113 23 SER HB2 H 4.165 0.02 2 204 113 23 SER HB3 H 4.078 0.02 2 205 113 23 SER CA C 62.856 0.2 1 206 113 23 SER CB C 63.645 0.2 1 207 113 23 SER N N 116.302 0.2 1 208 114 24 HIS HA H 4.498 0.02 1 209 114 24 HIS HB2 H 3.252 0.02 2 210 114 24 HIS HB3 H 2.960 0.02 2 211 114 24 HIS HD2 H 6.998 0.02 1 212 114 24 HIS C C 175.822 0.2 1 213 114 24 HIS CA C 57.337 0.2 1 214 114 24 HIS CB C 29.918 0.2 1 215 115 25 LEU H H 6.915 0.02 1 216 115 25 LEU HA H 3.986 0.02 1 217 115 25 LEU HB2 H 1.652 0.02 2 218 115 25 LEU HB3 H 1.401 0.02 2 219 115 25 LEU HG H 1.967 0.02 1 220 115 25 LEU HD1 H 0.851 0.02 2 221 115 25 LEU HD2 H 0.718 0.02 2 222 115 25 LEU C C 176.428 0.2 1 223 115 25 LEU CA C 55.533 0.2 1 224 115 25 LEU CB C 42.082 0.2 1 225 115 25 LEU CG C 27.322 0.2 1 226 115 25 LEU CD1 C 22.379 0.2 2 227 115 25 LEU CD2 C 24.502 0.2 2 228 115 25 LEU N N 121.245 0.2 1 229 116 26 GLN H H 9.169 0.02 1 230 116 26 GLN HA H 4.614 0.02 1 231 116 26 GLN HB2 H 2.078 0.02 2 232 116 26 GLN HB3 H 1.935 0.02 2 233 116 26 GLN HG2 H 2.533 0.02 2 234 116 26 GLN HG3 H 2.463 0.02 2 235 116 26 GLN HE21 H 7.595 0.02 2 236 116 26 GLN HE22 H 6.885 0.02 2 237 116 26 GLN CA C 53.265 0.2 1 238 116 26 GLN CB C 28.030 0.2 1 239 116 26 GLN CG C 33.887 0.2 1 240 116 26 GLN CD C 180.714 0.2 1 241 116 26 GLN N N 122.261 0.2 1 242 116 26 GLN NE2 N 114.346 0.2 1 243 117 27 PRO HA H 3.868 0.02 1 244 117 27 PRO HB2 H 2.308 0.02 2 245 117 27 PRO HB3 H 1.909 0.02 2 246 117 27 PRO HG2 H 2.250 0.02 2 247 117 27 PRO HG3 H 1.807 0.02 2 248 117 27 PRO HD2 H 3.655 0.02 2 249 117 27 PRO C C 177.272 0.2 1 250 117 27 PRO CA C 64.888 0.2 1 251 117 27 PRO CB C 31.707 0.2 1 252 117 27 PRO CG C 28.428 0.2 1 253 117 27 PRO CD C 50.545 0.2 1 254 118 28 GLY H H 7.357 0.02 1 255 118 28 GLY HA2 H 4.351 0.02 2 256 118 28 GLY HA3 H 3.602 0.02 2 257 118 28 GLY C C 174.226 0.2 1 258 118 28 GLY CA C 45.217 0.2 1 259 118 28 GLY N N 115.091 0.2 1 260 119 29 ASP H H 8.116 0.02 1 261 119 29 ASP HA H 4.612 0.02 1 262 119 29 ASP HB2 H 2.860 0.02 2 263 119 29 ASP HB3 H 2.446 0.02 2 264 119 29 ASP C C 176.421 0.2 1 265 119 29 ASP CA C 55.556 0.2 1 266 119 29 ASP CB C 42.454 0.2 1 267 119 29 ASP N N 122.442 0.2 1 268 120 30 HIS H H 8.756 0.02 1 269 120 30 HIS HA H 4.926 0.02 1 270 120 30 HIS HB2 H 3.125 0.02 2 271 120 30 HIS HB3 H 2.971 0.02 2 272 120 30 HIS HD2 H 6.484 0.02 1 273 120 30 HIS C C 174.394 0.2 1 274 120 30 HIS CA C 54.618 0.2 1 275 120 30 HIS CB C 33.455 0.2 1 276 120 30 HIS CD2 C 114.318 0.2 1 277 120 30 HIS N N 120.662 0.2 1 278 121 31 LEU H H 8.720 0.02 1 279 121 31 LEU HA H 4.781 0.02 1 280 121 31 LEU HB2 H 1.838 0.02 2 281 121 31 LEU HB3 H 1.628 0.02 2 282 121 31 LEU HG H 1.599 0.02 1 283 121 31 LEU HD1 H 1.030 0.02 2 284 121 31 LEU HD2 H 0.951 0.02 2 285 121 31 LEU C C 176.133 0.2 1 286 121 31 LEU CA C 53.657 0.2 1 287 121 31 LEU CB C 39.207 0.2 1 288 121 31 LEU CG C 27.003 0.2 1 289 121 31 LEU CD1 C 26.558 0.2 2 290 121 31 LEU CD2 C 22.884 0.2 2 291 121 31 LEU N N 128.370 0.2 1 292 122 32 THR H H 7.489 0.02 1 293 122 32 THR HA H 3.513 0.02 1 294 122 32 THR HB H 4.139 0.02 1 295 122 32 THR HG2 H 0.527 0.02 1 296 122 32 THR C C 174.918 0.2 1 297 122 32 THR CA C 63.699 0.2 1 298 122 32 THR CB C 68.448 0.2 1 299 122 32 THR CG2 C 20.749 0.2 1 300 122 32 THR N N 114.489 0.2 1 301 123 33 ASP H H 8.829 0.02 1 302 123 33 ASP HA H 4.549 0.02 1 303 123 33 ASP HB2 H 2.706 0.02 2 304 123 33 ASP HB3 H 2.666 0.02 2 305 123 33 ASP C C 175.188 0.2 1 306 123 33 ASP CA C 53.906 0.2 1 307 123 33 ASP CB C 40.273 0.2 1 308 123 33 ASP N N 118.243 0.2 1 309 124 34 ILE H H 7.309 0.02 1 310 124 34 ILE HA H 4.423 0.02 1 311 124 34 ILE HB H 1.867 0.02 1 312 124 34 ILE HG12 H 1.443 0.02 2 313 124 34 ILE HG13 H 1.337 0.02 2 314 124 34 ILE HG2 H 0.875 0.02 1 315 124 34 ILE HD1 H 0.896 0.02 1 316 124 34 ILE C C 174.630 0.2 1 317 124 34 ILE CA C 59.253 0.2 1 318 124 34 ILE CB C 38.915 0.2 1 319 124 34 ILE CG1 C 26.864 0.2 1 320 124 34 ILE CG2 C 16.901 0.2 1 321 124 34 ILE CD1 C 11.723 0.2 1 322 124 34 ILE N N 121.877 0.2 1 323 125 35 THR H H 8.537 0.02 1 324 125 35 THR HA H 4.696 0.02 1 325 125 35 THR HB H 3.837 0.02 1 326 125 35 THR HG2 H 1.090 0.02 1 327 125 35 THR C C 173.461 0.2 1 328 125 35 THR CA C 61.579 0.2 1 329 125 35 THR CB C 69.917 0.2 1 330 125 35 THR CG2 C 22.017 0.2 1 331 125 35 THR N N 125.071 0.2 1 332 126 36 LEU H H 9.331 0.02 1 333 126 36 LEU HA H 5.048 0.02 1 334 126 36 LEU HB2 H 1.736 0.02 2 335 126 36 LEU HB3 H 1.657 0.02 2 336 126 36 LEU HG H 1.665 0.02 1 337 126 36 LEU HD1 H 1.062 0.02 2 338 126 36 LEU HD2 H 1.051 0.02 2 339 126 36 LEU C C 175.599 0.2 1 340 126 36 LEU CA C 53.499 0.2 1 341 126 36 LEU CB C 47.679 0.2 1 342 126 36 LEU CG C 27.145 0.2 1 343 126 36 LEU CD1 C 24.341 0.2 2 344 126 36 LEU CD2 C 27.148 0.2 2 345 126 36 LEU N N 128.793 0.2 1 346 127 37 LYS H H 9.548 0.02 1 347 127 37 LYS HA H 5.920 0.02 1 348 127 37 LYS HB2 H 1.759 0.02 2 349 127 37 LYS HB3 H 1.693 0.02 2 350 127 37 LYS HG2 H 1.565 0.02 2 351 127 37 LYS HG3 H 1.280 0.02 2 352 127 37 LYS HD2 H 1.426 0.02 2 353 127 37 LYS HD3 H 1.267 0.02 2 354 127 37 LYS HE2 H 2.788 0.02 2 355 127 37 LYS C C 177.039 0.2 1 356 127 37 LYS CA C 55.413 0.2 1 357 127 37 LYS CB C 34.557 0.2 1 358 127 37 LYS CG C 25.725 0.2 1 359 127 37 LYS CD C 28.805 0.2 1 360 127 37 LYS CE C 41.652 0.2 1 361 127 37 LYS N N 121.108 0.2 1 362 128 38 VAL H H 8.766 0.02 1 363 128 38 VAL HA H 5.080 0.02 1 364 128 38 VAL HB H 2.201 0.02 1 365 128 38 VAL HG1 H 0.687 0.02 2 366 128 38 VAL HG2 H 0.347 0.02 2 367 128 38 VAL C C 174.047 0.2 1 368 128 38 VAL CA C 58.785 0.2 1 369 128 38 VAL CB C 35.444 0.2 1 370 128 38 VAL CG1 C 21.248 0.2 2 371 128 38 VAL CG2 C 18.097 0.2 2 372 128 38 VAL N N 114.550 0.2 1 373 129 39 ALA H H 8.671 0.02 1 374 129 39 ALA HA H 5.455 0.02 1 375 129 39 ALA HB H 1.163 0.02 1 376 129 39 ALA C C 175.921 0.2 1 377 129 39 ALA CA C 51.425 0.2 1 378 129 39 ALA CB C 23.164 0.2 1 379 129 39 ALA N N 121.358 0.2 1 380 130 40 GLY H H 8.238 0.02 1 381 130 40 GLY HA2 H 4.069 0.02 2 382 130 40 GLY HA3 H 3.687 0.02 2 383 130 40 GLY C C 169.560 0.2 1 384 130 40 GLY CA C 45.516 0.2 1 385 130 40 GLY N N 103.128 0.2 1 386 131 41 ARG H H 8.754 0.02 1 387 131 41 ARG HA H 5.143 0.02 1 388 131 41 ARG HB2 H 1.842 0.02 2 389 131 41 ARG HB3 H 1.670 0.02 2 390 131 41 ARG HG2 H 1.369 0.02 2 391 131 41 ARG HD2 H 3.200 0.02 2 392 131 41 ARG C C 177.087 0.2 1 393 131 41 ARG CA C 54.248 0.2 1 394 131 41 ARG CB C 33.534 0.2 1 395 131 41 ARG CG C 27.570 0.2 1 396 131 41 ARG CD C 43.621 0.2 1 397 131 41 ARG N N 120.222 0.2 1 398 132 42 ILE H H 9.322 0.02 1 399 132 42 ILE HA H 4.067 0.02 1 400 132 42 ILE HB H 2.073 0.02 1 401 132 42 ILE HG12 H 1.268 0.02 2 402 132 42 ILE HG2 H 0.869 0.02 1 403 132 42 ILE HD1 H 0.667 0.02 1 404 132 42 ILE C C 176.338 0.2 1 405 132 42 ILE CA C 63.573 0.2 1 406 132 42 ILE CB C 38.234 0.2 1 407 132 42 ILE CG1 C 27.416 0.2 1 408 132 42 ILE CG2 C 18.747 0.2 1 409 132 42 ILE CD1 C 14.865 0.2 1 410 132 42 ILE N N 125.819 0.2 1 411 133 43 HIS H H 10.148 0.02 1 412 133 43 HIS HA H 4.637 0.02 1 413 133 43 HIS HB2 H 3.040 0.02 2 414 133 43 HIS HB3 H 2.888 0.02 2 415 133 43 HIS HD2 H 6.916 0.02 1 416 133 43 HIS C C 174.705 0.2 1 417 133 43 HIS CA C 57.904 0.2 1 418 133 43 HIS CB C 33.314 0.2 1 419 133 43 HIS CD2 C 119.660 0.2 1 420 133 43 HIS N N 133.203 0.2 1 421 134 44 ALA H H 7.636 0.02 1 422 134 44 ALA HA H 4.468 0.02 1 423 134 44 ALA HB H 1.486 0.02 1 424 134 44 ALA C C 174.098 0.2 1 425 134 44 ALA CA C 51.864 0.2 1 426 134 44 ALA CB C 23.013 0.2 1 427 134 44 ALA N N 117.891 0.2 1 428 135 45 LYS H H 8.727 0.02 1 429 135 45 LYS HA H 4.782 0.02 1 430 135 45 LYS HB2 H 1.340 0.02 2 431 135 45 LYS HG2 H 0.897 0.02 2 432 135 45 LYS HG3 H 0.845 0.02 2 433 135 45 LYS HD2 H 1.701 0.02 2 434 135 45 LYS HD3 H 1.484 0.02 2 435 135 45 LYS HE2 H 3.166 0.02 2 436 135 45 LYS HE3 H 2.811 0.02 2 437 135 45 LYS C C 174.397 0.2 1 438 135 45 LYS CA C 55.021 0.2 1 439 135 45 LYS CB C 37.100 0.2 1 440 135 45 LYS CG C 24.445 0.2 1 441 135 45 LYS CD C 30.747 0.2 1 442 135 45 LYS CE C 41.776 0.2 1 443 135 45 LYS N N 123.765 0.2 1 444 136 46 ARG H H 9.004 0.02 1 445 136 46 ARG HA H 4.648 0.02 1 446 136 46 ARG HB2 H 1.838 0.02 2 447 136 46 ARG HB3 H 1.715 0.02 2 448 136 46 ARG HG2 H 1.488 0.02 2 449 136 46 ARG HD2 H 3.132 0.02 2 450 136 46 ARG CA C 55.210 0.2 1 451 136 46 ARG CB C 32.949 0.2 1 452 136 46 ARG CG C 27.559 0.2 1 453 136 46 ARG CD C 43.160 0.2 1 454 136 46 ARG N N 127.735 0.2 1 455 137 47 ALA H H 8.932 0.02 1 456 137 47 ALA HA H 4.692 0.02 1 457 137 47 ALA HB H 1.427 0.02 1 458 137 47 ALA C C 177.204 0.2 1 459 137 47 ALA CA C 52.227 0.2 1 460 137 47 ALA CB C 20.289 0.2 1 461 137 47 ALA N N 129.039 0.2 1 462 138 48 SER H H 8.706 0.02 1 463 138 48 SER HA H 3.745 0.02 1 464 138 48 SER CA C 57.336 0.2 1 465 138 48 SER CB C 63.768 0.2 1 466 138 48 SER N N 119.836 0.2 1 467 141 51 LYS HA H 4.420 0.02 1 468 141 51 LYS HB2 H 2.102 0.02 2 469 141 51 LYS HB3 H 1.622 0.02 2 470 141 51 LYS HG2 H 1.404 0.02 2 471 141 51 LYS HG3 H 1.241 0.02 2 472 141 51 LYS HD2 H 1.582 0.02 2 473 141 51 LYS HE2 H 2.919 0.02 2 474 141 51 LYS C C 174.297 0.2 1 475 141 51 LYS CA C 56.163 0.2 1 476 141 51 LYS CB C 33.126 0.2 1 477 141 51 LYS CG C 25.468 0.2 1 478 141 51 LYS CD C 29.179 0.2 1 479 141 51 LYS CE C 42.410 0.2 1 480 142 52 LEU H H 6.969 0.02 1 481 142 52 LEU HA H 5.202 0.02 1 482 142 52 LEU HB2 H 1.618 0.02 2 483 142 52 LEU HB3 H 1.344 0.02 2 484 142 52 LEU HG H 1.087 0.02 1 485 142 52 LEU HD1 H 0.852 0.02 2 486 142 52 LEU HD2 H 0.538 0.02 2 487 142 52 LEU C C 173.978 0.2 1 488 142 52 LEU CA C 54.448 0.2 1 489 142 52 LEU CB C 44.239 0.2 1 490 142 52 LEU CG C 27.191 0.2 1 491 142 52 LEU CD1 C 25.578 0.2 2 492 142 52 LEU CD2 C 23.270 0.2 2 493 142 52 LEU N N 121.402 0.2 1 494 143 53 ILE H H 8.877 0.02 1 495 143 53 ILE HA H 4.300 0.02 1 496 143 53 ILE HB H 1.366 0.02 1 497 143 53 ILE HG12 H 1.325 0.02 2 498 143 53 ILE HG13 H 0.899 0.02 2 499 143 53 ILE HG2 H 0.613 0.02 1 500 143 53 ILE HD1 H 0.209 0.02 1 501 143 53 ILE C C 172.823 0.2 1 502 143 53 ILE CA C 60.284 0.2 1 503 143 53 ILE CB C 41.878 0.2 1 504 143 53 ILE CG1 C 28.460 0.2 1 505 143 53 ILE CD1 C 17.907 0.2 1 506 143 53 ILE N N 127.485 0.2 1 507 144 54 PHE H H 8.608 0.02 1 508 144 54 PHE HA H 5.513 0.02 1 509 144 54 PHE HB2 H 2.830 0.02 2 510 144 54 PHE HD1 H 7.014 0.02 3 511 144 54 PHE HE1 H 7.234 0.02 3 512 144 54 PHE C C 176.136 0.2 1 513 144 54 PHE CA C 55.830 0.2 1 514 144 54 PHE CB C 41.406 0.2 1 515 144 54 PHE N N 123.185 0.2 1 516 145 55 TYR H H 9.126 0.02 1 517 145 55 TYR HA H 5.362 0.02 1 518 145 55 TYR HB2 H 2.785 0.02 2 519 145 55 TYR HB3 H 2.704 0.02 2 520 145 55 TYR HD1 H 6.816 0.02 3 521 145 55 TYR HE1 H 6.331 0.02 3 522 145 55 TYR C C 174.491 0.2 1 523 145 55 TYR CA C 56.516 0.2 1 524 145 55 TYR CB C 40.672 0.2 1 525 145 55 TYR CD1 C 132.034 0.2 3 526 145 55 TYR CE1 C 117.600 0.2 3 527 145 55 TYR N N 119.490 0.2 1 528 146 56 ASP H H 8.379 0.02 1 529 146 56 ASP HA H 4.877 0.02 1 530 146 56 ASP HB2 H 2.922 0.02 2 531 146 56 ASP HB3 H 2.608 0.02 2 532 146 56 ASP C C 173.904 0.2 1 533 146 56 ASP CA C 53.472 0.2 1 534 146 56 ASP CB C 42.271 0.2 1 535 146 56 ASP N N 125.070 0.2 1 536 147 57 LEU H H 8.715 0.02 1 537 147 57 LEU HA H 4.923 0.02 1 538 147 57 LEU HB2 H 2.051 0.02 2 539 147 57 LEU HB3 H 1.194 0.02 2 540 147 57 LEU HG H 1.269 0.02 1 541 147 57 LEU HD1 H 0.513 0.02 2 542 147 57 LEU HD2 H 0.450 0.02 2 543 147 57 LEU C C 175.725 0.2 1 544 147 57 LEU CA C 53.985 0.2 1 545 147 57 LEU CB C 45.807 0.2 1 546 147 57 LEU CG C 27.330 0.2 1 547 147 57 LEU CD1 C 24.525 0.2 2 548 147 57 LEU CD2 C 24.825 0.2 2 549 147 57 LEU N N 130.583 0.2 1 550 148 58 ARG H H 9.181 0.02 1 551 148 58 ARG HA H 5.366 0.02 1 552 148 58 ARG HB2 H 1.813 0.02 2 553 148 58 ARG HB3 H 1.685 0.02 2 554 148 58 ARG HG2 H 1.542 0.02 2 555 148 58 ARG HD2 H 2.911 0.02 2 556 148 58 ARG HD3 H 2.426 0.02 2 557 148 58 ARG C C 176.437 0.2 1 558 148 58 ARG CA C 54.479 0.2 1 559 148 58 ARG CB C 34.225 0.2 1 560 148 58 ARG CG C 27.854 0.2 1 561 148 58 ARG CD C 43.020 0.2 1 562 148 58 ARG N N 121.875 0.2 1 563 149 59 GLY H H 7.748 0.02 1 564 149 59 GLY HA2 H 4.279 0.02 2 565 149 59 GLY HA3 H 4.136 0.02 2 566 149 59 GLY C C 172.430 0.2 1 567 149 59 GLY CA C 45.747 0.2 1 568 149 59 GLY N N 111.264 0.2 1 569 150 60 GLU H H 9.023 0.02 1 570 150 60 GLU HA H 4.011 0.02 1 571 150 60 GLU HB2 H 2.404 0.02 2 572 150 60 GLU HB3 H 2.344 0.02 2 573 150 60 GLU HG2 H 2.438 0.02 2 574 150 60 GLU HG3 H 2.143 0.02 2 575 150 60 GLU C C 175.912 0.2 1 576 150 60 GLU CA C 57.082 0.2 1 577 150 60 GLU CB C 27.670 0.2 1 578 150 60 GLU CG C 36.108 0.2 1 579 150 60 GLU N N 116.181 0.2 1 580 151 61 GLY H H 8.536 0.02 1 581 151 61 GLY HA2 H 4.250 0.02 2 582 151 61 GLY HA3 H 3.676 0.02 2 583 151 61 GLY C C 174.921 0.2 1 584 151 61 GLY CA C 45.674 0.2 1 585 151 61 GLY N N 106.939 0.2 1 586 152 62 VAL H H 8.299 0.02 1 587 152 62 VAL HA H 4.783 0.02 1 588 152 62 VAL HB H 2.335 0.02 1 589 152 62 VAL HG1 H 0.921 0.02 2 590 152 62 VAL HG2 H 0.785 0.02 2 591 152 62 VAL C C 174.167 0.2 1 592 152 62 VAL CA C 59.796 0.2 1 593 152 62 VAL CB C 34.854 0.2 1 594 152 62 VAL CG1 C 21.852 0.2 2 595 152 62 VAL CG2 C 19.992 0.2 2 596 152 62 VAL N N 116.375 0.2 1 597 153 63 LYS H H 7.818 0.02 1 598 153 63 LYS HA H 5.422 0.02 1 599 153 63 LYS HB2 H 1.751 0.02 2 600 153 63 LYS HB3 H 1.583 0.02 2 601 153 63 LYS HG2 H 1.242 0.02 2 602 153 63 LYS HD2 H 1.549 0.02 2 603 153 63 LYS HD3 H 1.484 0.02 2 604 153 63 LYS HE2 H 2.846 0.02 2 605 153 63 LYS C C 173.390 0.2 1 606 153 63 LYS CA C 54.337 0.2 1 607 153 63 LYS CB C 36.529 0.2 1 608 153 63 LYS CG C 23.617 0.2 1 609 153 63 LYS CD C 29.895 0.2 1 610 153 63 LYS CE C 41.924 0.2 1 611 153 63 LYS N N 118.340 0.2 1 612 154 64 LEU H H 9.133 0.02 1 613 154 64 LEU HA H 4.608 0.02 1 614 154 64 LEU HB2 H 1.474 0.02 2 615 154 64 LEU HB3 H 1.192 0.02 2 616 154 64 LEU HG H 1.468 0.02 1 617 154 64 LEU HD1 H 0.793 0.02 2 618 154 64 LEU HD2 H 0.072 0.02 2 619 154 64 LEU C C 174.215 0.2 1 620 154 64 LEU CA C 53.920 0.2 1 621 154 64 LEU CB C 47.234 0.2 1 622 154 64 LEU CG C 27.249 0.2 1 623 154 64 LEU CD1 C 23.660 0.2 2 624 154 64 LEU CD2 C 26.002 0.2 2 625 154 64 LEU N N 122.566 0.2 1 626 155 65 GLN H H 7.553 0.02 1 627 155 65 GLN HA H 5.109 0.02 1 628 155 65 GLN HB2 H 2.410 0.02 2 629 155 65 GLN HB3 H 2.061 0.02 2 630 155 65 GLN HG2 H 2.196 0.02 2 631 155 65 GLN HE21 H 7.063 0.02 2 632 155 65 GLN HE22 H 6.389 0.02 2 633 155 65 GLN C C 175.275 0.2 1 634 155 65 GLN CA C 55.891 0.2 1 635 155 65 GLN CB C 31.035 0.2 1 636 155 65 GLN CG C 36.118 0.2 1 637 155 65 GLN CD C 179.390 0.2 1 638 155 65 GLN N N 124.750 0.2 1 639 155 65 GLN NE2 N 109.408 0.2 1 640 156 66 VAL H H 9.692 0.02 1 641 156 66 VAL HA H 4.753 0.02 1 642 156 66 VAL HB H 2.521 0.02 1 643 156 66 VAL HG1 H 0.878 0.02 2 644 156 66 VAL HG2 H 0.850 0.02 2 645 156 66 VAL C C 175.319 0.2 1 646 156 66 VAL CA C 60.492 0.2 1 647 156 66 VAL CB C 33.008 0.2 1 648 156 66 VAL CG1 C 21.533 0.2 2 649 156 66 VAL N N 127.136 0.2 1 650 157 67 MET H H 8.502 0.02 1 651 157 67 MET HA H 4.417 0.02 1 652 157 67 MET HB2 H 2.167 0.02 2 653 157 67 MET HB3 H 1.522 0.02 2 654 157 67 MET HG2 H 2.129 0.02 2 655 157 67 MET HG3 H 1.910 0.02 2 656 157 67 MET C C 171.710 0.2 1 657 157 67 MET CA C 54.132 0.2 1 658 157 67 MET CB C 34.396 0.2 1 659 157 67 MET CG C 31.672 0.2 1 660 157 67 MET N N 130.695 0.2 1 661 158 68 ALA H H 8.713 0.02 1 662 158 68 ALA HA H 4.641 0.02 1 663 158 68 ALA HB H 1.433 0.02 1 664 158 68 ALA C C 173.546 0.2 1 665 158 68 ALA CA C 51.343 0.2 1 666 158 68 ALA CB C 18.317 0.2 1 667 158 68 ALA N N 127.579 0.2 1 668 159 69 ASN H H 8.165 0.02 1 669 159 69 ASN HA H 5.320 0.02 1 670 159 69 ASN HB2 H 3.029 0.02 2 671 159 69 ASN HB3 H 2.418 0.02 2 672 159 69 ASN HD21 H 7.446 0.02 2 673 159 69 ASN HD22 H 6.978 0.02 2 674 159 69 ASN C C 177.367 0.2 1 675 159 69 ASN CA C 51.259 0.2 1 676 159 69 ASN CB C 41.392 0.2 1 677 159 69 ASN CG C 176.047 0.2 1 678 159 69 ASN N N 124.325 0.2 1 679 159 69 ASN ND2 N 113.426 0.2 1 680 160 70 SER H H 8.423 0.02 1 681 160 70 SER HA H 2.486 0.02 1 682 160 70 SER HB2 H 3.169 0.02 2 683 160 70 SER HB3 H 2.914 0.02 2 684 160 70 SER C C 175.539 0.2 1 685 160 70 SER CA C 62.314 0.2 1 686 160 70 SER CB C 62.147 0.2 1 687 160 70 SER N N 126.316 0.2 1 688 161 71 ARG H H 7.885 0.02 1 689 161 71 ARG HA H 4.079 0.02 1 690 161 71 ARG HB2 H 1.734 0.02 2 691 161 71 ARG HG2 H 1.593 0.02 2 692 161 71 ARG HD2 H 3.183 0.02 2 693 161 71 ARG C C 176.799 0.2 1 694 161 71 ARG CA C 57.960 0.2 1 695 161 71 ARG CB C 29.978 0.2 1 696 161 71 ARG CG C 27.033 0.2 1 697 161 71 ARG CD C 43.106 0.2 1 698 161 71 ARG N N 118.907 0.2 1 699 162 72 ASN H H 7.511 0.02 1 700 162 72 ASN HA H 4.934 0.02 1 701 162 72 ASN HB2 H 3.156 0.02 2 702 162 72 ASN HB3 H 2.457 0.02 2 703 162 72 ASN HD21 H 7.788 0.02 2 704 162 72 ASN HD22 H 7.033 0.02 2 705 162 72 ASN C C 173.674 0.2 1 706 162 72 ASN CA C 54.004 0.2 1 707 162 72 ASN CB C 41.748 0.2 1 708 162 72 ASN CG C 176.765 0.2 1 709 162 72 ASN N N 114.315 0.2 1 710 162 72 ASN ND2 N 109.959 0.2 1 711 163 73 TYR H H 7.210 0.02 1 712 163 73 TYR HA H 4.490 0.02 1 713 163 73 TYR HB2 H 3.137 0.02 2 714 163 73 TYR HB3 H 2.779 0.02 2 715 163 73 TYR HD1 H 7.509 0.02 3 716 163 73 TYR HE1 H 6.633 0.02 3 717 163 73 TYR C C 175.477 0.2 1 718 163 73 TYR CA C 58.916 0.2 1 719 163 73 TYR CB C 40.646 0.2 1 720 163 73 TYR CD1 C 134.618 0.2 3 721 163 73 TYR CE1 C 116.909 0.2 3 722 163 73 TYR N N 120.669 0.2 1 723 164 74 LYS H H 7.442 0.02 1 724 164 74 LYS HA H 3.513 0.02 1 725 164 74 LYS HB2 H 1.053 0.02 2 726 164 74 LYS HB3 H 0.607 0.02 2 727 164 74 LYS HG2 H 1.161 0.02 2 728 164 74 LYS HD2 H 1.539 0.02 2 729 164 74 LYS HD3 H 1.303 0.02 2 730 164 74 LYS HE2 H 2.918 0.02 2 731 164 74 LYS C C 176.521 0.2 1 732 164 74 LYS CA C 60.477 0.2 1 733 164 74 LYS CB C 31.762 0.2 1 734 164 74 LYS CG C 23.342 0.2 1 735 164 74 LYS CD C 29.542 0.2 1 736 164 74 LYS CE C 41.510 0.2 1 737 164 74 LYS N N 125.025 0.2 1 738 165 75 SER H H 6.937 0.02 1 739 165 75 SER HA H 4.666 0.02 1 740 165 75 SER HB2 H 4.278 0.02 2 741 165 75 SER HB3 H 4.105 0.02 2 742 165 75 SER C C 174.984 0.2 1 743 165 75 SER CA C 58.342 0.2 1 744 165 75 SER CB C 65.895 0.2 1 745 165 75 SER N N 108.660 0.2 1 746 166 76 GLU H H 9.216 0.02 1 747 166 76 GLU HA H 3.988 0.02 1 748 166 76 GLU HB2 H 2.083 0.02 2 749 166 76 GLU HG2 H 2.302 0.02 2 750 166 76 GLU HG3 H 2.187 0.02 2 751 166 76 GLU C C 178.721 0.2 1 752 166 76 GLU CA C 60.389 0.2 1 753 166 76 GLU CB C 29.627 0.2 1 754 166 76 GLU CG C 37.011 0.2 1 755 166 76 GLU N N 125.495 0.2 1 756 167 77 GLU H H 9.070 0.02 1 757 167 77 GLU HA H 4.061 0.02 1 758 167 77 GLU HB2 H 2.133 0.02 2 759 167 77 GLU HB3 H 1.998 0.02 2 760 167 77 GLU HG2 H 2.373 0.02 2 761 167 77 GLU HG3 H 2.334 0.02 2 762 167 77 GLU C C 179.785 0.2 1 763 167 77 GLU CA C 60.258 0.2 1 764 167 77 GLU CB C 29.288 0.2 1 765 167 77 GLU CG C 36.642 0.2 1 766 167 77 GLU N N 120.077 0.2 1 767 168 78 GLU H H 7.958 0.02 1 768 168 78 GLU HA H 4.223 0.02 1 769 168 78 GLU HB2 H 2.549 0.02 2 770 168 78 GLU HB3 H 2.175 0.02 2 771 168 78 GLU HG2 H 2.387 0.02 2 772 168 78 GLU C C 178.086 0.2 1 773 168 78 GLU CA C 59.343 0.2 1 774 168 78 GLU CB C 29.707 0.2 1 775 168 78 GLU CG C 37.941 0.2 1 776 168 78 GLU N N 118.139 0.2 1 777 169 79 PHE H H 8.003 0.02 1 778 169 79 PHE HA H 3.027 0.02 1 779 169 79 PHE HB2 H 3.434 0.02 2 780 169 79 PHE HB3 H 2.934 0.02 2 781 169 79 PHE HD1 H 6.754 0.02 3 782 169 79 PHE HD2 H 6.728 0.02 3 783 169 79 PHE HE1 H 7.255 0.02 3 784 169 79 PHE HE2 H 7.211 0.02 3 785 169 79 PHE C C 177.532 0.2 1 786 169 79 PHE CA C 61.517 0.2 1 787 169 79 PHE CB C 38.273 0.2 1 788 169 79 PHE CD1 C 131.738 0.2 3 789 169 79 PHE CE2 C 130.788 0.2 3 790 169 79 PHE N N 121.958 0.2 1 791 170 80 ILE H H 7.986 0.02 1 792 170 80 ILE HA H 3.550 0.02 1 793 170 80 ILE HB H 1.884 0.02 1 794 170 80 ILE HG12 H 1.904 0.02 2 795 170 80 ILE HG13 H 1.330 0.02 2 796 170 80 ILE HG2 H 0.875 0.02 1 797 170 80 ILE HD1 H 0.930 0.02 1 798 170 80 ILE C C 178.042 0.2 1 799 170 80 ILE CA C 64.486 0.2 1 800 170 80 ILE CB C 38.392 0.2 1 801 170 80 ILE CG1 C 28.853 0.2 1 802 170 80 ILE CG2 C 16.950 0.2 1 803 170 80 ILE CD1 C 13.201 0.2 1 804 170 80 ILE N N 121.813 0.2 1 805 171 81 HIS H H 7.426 0.02 1 806 171 81 HIS HA H 4.316 0.02 1 807 171 81 HIS HB2 H 3.164 0.02 2 808 171 81 HIS HD2 H 6.988 0.02 1 809 171 81 HIS C C 178.900 0.2 1 810 171 81 HIS CA C 59.676 0.2 1 811 171 81 HIS CB C 31.007 0.2 1 812 171 81 HIS CD2 C 120.193 0.2 1 813 171 81 HIS N N 117.607 0.2 1 814 172 82 ILE H H 8.280 0.02 1 815 172 82 ILE HA H 4.094 0.02 1 816 172 82 ILE HB H 1.983 0.02 1 817 172 82 ILE HG12 H 1.395 0.02 2 818 172 82 ILE HG13 H 1.025 0.02 2 819 172 82 ILE HG2 H 0.798 0.02 1 820 172 82 ILE HD1 H 0.837 0.02 1 821 172 82 ILE C C 177.168 0.2 1 822 172 82 ILE CA C 61.029 0.2 1 823 172 82 ILE CB C 37.540 0.2 1 824 172 82 ILE CG1 C 29.491 0.2 1 825 172 82 ILE CG2 C 18.363 0.2 1 826 172 82 ILE CD1 C 13.626 0.2 1 827 172 82 ILE N N 118.077 0.2 1 828 173 83 ASN H H 7.222 0.02 1 829 173 83 ASN HA H 4.165 0.02 1 830 173 83 ASN HB2 H 2.267 0.02 2 831 173 83 ASN HB3 H 2.200 0.02 2 832 173 83 ASN HD21 H 6.241 0.02 2 833 173 83 ASN HD22 H 3.739 0.02 2 834 173 83 ASN C C 176.495 0.2 1 835 173 83 ASN CA C 56.855 0.2 1 836 173 83 ASN CB C 37.984 0.2 1 837 173 83 ASN N N 119.679 0.2 1 838 173 83 ASN ND2 N 111.026 0.2 1 839 174 84 ASN H H 7.570 0.02 1 840 174 84 ASN HA H 4.543 0.02 1 841 174 84 ASN HB2 H 2.863 0.02 2 842 174 84 ASN HB3 H 2.769 0.02 2 843 174 84 ASN HD21 H 7.687 0.02 2 844 174 84 ASN HD22 H 6.860 0.02 2 845 174 84 ASN C C 176.459 0.2 1 846 174 84 ASN CA C 54.755 0.2 1 847 174 84 ASN CB C 38.463 0.2 1 848 174 84 ASN CG C 176.298 0.2 1 849 174 84 ASN N N 116.831 0.2 1 850 174 84 ASN ND2 N 113.176 0.2 1 851 175 85 LYS H H 7.269 0.02 1 852 175 85 LYS HA H 4.224 0.02 1 853 175 85 LYS HB2 H 1.784 0.02 2 854 175 85 LYS HG2 H 1.390 0.02 2 855 175 85 LYS HD2 H 1.545 0.02 2 856 175 85 LYS HE2 H 2.835 0.02 2 857 175 85 LYS C C 177.298 0.2 1 858 175 85 LYS CA C 57.098 0.2 1 859 175 85 LYS CB C 34.172 0.2 1 860 175 85 LYS CG C 24.449 0.2 1 861 175 85 LYS CD C 29.285 0.2 1 862 175 85 LYS N N 118.668 0.2 1 863 176 86 LEU H H 7.072 0.02 1 864 176 86 LEU HA H 4.335 0.02 1 865 176 86 LEU HB2 H 1.953 0.02 2 866 176 86 LEU HB3 H 1.927 0.02 2 867 176 86 LEU HG H 0.964 0.02 1 868 176 86 LEU HD1 H 0.590 0.02 2 869 176 86 LEU HD2 H 0.405 0.02 2 870 176 86 LEU C C 177.275 0.2 1 871 176 86 LEU CA C 55.782 0.2 1 872 176 86 LEU CB C 42.284 0.2 1 873 176 86 LEU CG C 42.310 0.2 1 874 176 86 LEU CD1 C 23.678 0.2 2 875 176 86 LEU CD2 C 24.836 0.2 2 876 176 86 LEU N N 119.059 0.2 1 877 177 87 ARG H H 9.231 0.02 1 878 177 87 ARG HA H 4.615 0.02 1 879 177 87 ARG HB2 H 1.811 0.02 2 880 177 87 ARG HB3 H 1.748 0.02 2 881 177 87 ARG HG2 H 1.674 0.02 2 882 177 87 ARG HG3 H 1.621 0.02 2 883 177 87 ARG HD2 H 3.243 0.02 2 884 177 87 ARG HD3 H 3.156 0.02 2 885 177 87 ARG C C 175.186 0.2 1 886 177 87 ARG CA C 53.716 0.2 1 887 177 87 ARG CB C 34.495 0.2 1 888 177 87 ARG CG C 26.064 0.2 1 889 177 87 ARG CD C 43.569 0.2 1 890 177 87 ARG N N 122.571 0.2 1 891 178 88 ARG H H 8.508 0.02 1 892 178 88 ARG HA H 3.619 0.02 1 893 178 88 ARG HB2 H 1.664 0.02 2 894 178 88 ARG HG2 H 1.575 0.02 2 895 178 88 ARG HG3 H 1.359 0.02 2 896 178 88 ARG HD2 H 3.189 0.02 2 897 178 88 ARG C C 176.635 0.2 1 898 178 88 ARG CA C 58.558 0.2 1 899 178 88 ARG CB C 29.945 0.2 1 900 178 88 ARG CG C 27.404 0.2 1 901 178 88 ARG CD C 43.617 0.2 1 902 178 88 ARG N N 119.644 0.2 1 903 179 89 GLY H H 9.249 0.02 1 904 179 89 GLY HA2 H 4.525 0.02 2 905 179 89 GLY HA3 H 3.487 0.02 2 906 179 89 GLY C C 174.303 0.2 1 907 179 89 GLY CA C 44.800 0.2 1 908 179 89 GLY N N 115.866 0.2 1 909 180 90 ASP H H 7.904 0.02 1 910 180 90 ASP HA H 4.539 0.02 1 911 180 90 ASP HB2 H 2.738 0.02 2 912 180 90 ASP HB3 H 2.289 0.02 2 913 180 90 ASP C C 174.835 0.2 1 914 180 90 ASP CA C 55.803 0.2 1 915 180 90 ASP CB C 41.592 0.2 1 916 180 90 ASP N N 122.677 0.2 1 917 181 91 ILE H H 8.721 0.02 1 918 181 91 ILE HA H 4.588 0.02 1 919 181 91 ILE HB H 1.716 0.02 1 920 181 91 ILE HG12 H 1.572 0.02 2 921 181 91 ILE HG13 H 1.086 0.02 2 922 181 91 ILE HG2 H 0.671 0.02 1 923 181 91 ILE HD1 H 0.821 0.02 1 924 181 91 ILE C C 175.618 0.2 1 925 181 91 ILE CA C 60.003 0.2 1 926 181 91 ILE CB C 37.019 0.2 1 927 181 91 ILE CG1 C 27.622 0.2 1 928 181 91 ILE CG2 C 17.607 0.2 1 929 181 91 ILE CD1 C 12.556 0.2 1 930 181 91 ILE N N 123.035 0.2 1 931 182 92 ILE H H 8.647 0.02 1 932 182 92 ILE HA H 5.129 0.02 1 933 182 92 ILE HB H 1.502 0.02 1 934 182 92 ILE HG12 H 1.236 0.02 2 935 182 92 ILE HG13 H 0.626 0.02 2 936 182 92 ILE HG2 H 0.616 0.02 1 937 182 92 ILE HD1 H 0.269 0.02 1 938 182 92 ILE C C 173.646 0.2 1 939 182 92 ILE CA C 58.178 0.2 1 940 182 92 ILE CB C 41.871 0.2 1 941 182 92 ILE CG1 C 24.475 0.2 1 942 182 92 ILE CG2 C 19.901 0.2 1 943 182 92 ILE CD1 C 13.017 0.2 1 944 182 92 ILE N N 117.592 0.2 1 945 183 93 GLY H H 8.894 0.02 1 946 183 93 GLY HA2 H 4.430 0.02 2 947 183 93 GLY HA3 H 1.700 0.02 2 948 183 93 GLY C C 173.013 0.2 1 949 183 93 GLY CA C 43.676 0.2 1 950 183 93 GLY N N 107.991 0.2 1 951 184 94 VAL H H 9.457 0.02 1 952 184 94 VAL HA H 4.486 0.02 1 953 184 94 VAL HB H 1.842 0.02 1 954 184 94 VAL HG1 H 0.743 0.02 2 955 184 94 VAL HG2 H 0.656 0.02 2 956 184 94 VAL C C 173.353 0.2 1 957 184 94 VAL CA C 61.307 0.2 1 958 184 94 VAL CB C 34.617 0.2 1 959 184 94 VAL CG1 C 23.004 0.2 2 960 184 94 VAL CG2 C 21.282 0.2 2 961 184 94 VAL N N 124.927 0.2 1 962 185 95 GLN H H 8.725 0.02 1 963 185 95 GLN HA H 5.667 0.02 1 964 185 95 GLN HB2 H 2.395 0.02 2 965 185 95 GLN HB3 H 2.047 0.02 2 966 185 95 GLN HG2 H 2.148 0.02 2 967 185 95 GLN HG3 H 2.048 0.02 2 968 185 95 GLN HE21 H 7.498 0.02 2 969 185 95 GLN HE22 H 6.995 0.02 2 970 185 95 GLN C C 176.875 0.2 1 971 185 95 GLN CA C 53.240 0.2 1 972 185 95 GLN CB C 31.549 0.2 1 973 185 95 GLN CG C 34.355 0.2 1 974 185 95 GLN CD C 178.435 0.2 1 975 185 95 GLN N N 127.593 0.2 1 976 185 95 GLN NE2 N 113.487 0.2 1 977 186 96 GLY H H 9.726 0.02 1 978 186 96 GLY HA2 H 4.574 0.02 2 979 186 96 GLY HA3 H 4.406 0.02 2 980 186 96 GLY C C 170.547 0.2 1 981 186 96 GLY CA C 47.132 0.2 1 982 186 96 GLY N N 115.993 0.2 1 983 187 97 ASN H H 8.388 0.02 1 984 187 97 ASN HA H 6.115 0.02 1 985 187 97 ASN HB2 H 3.752 0.02 2 986 187 97 ASN HB3 H 2.313 0.02 2 987 187 97 ASN HD21 H 8.175 0.02 2 988 187 97 ASN HD22 H 6.838 0.02 2 989 187 97 ASN CA C 50.470 0.2 1 990 187 97 ASN CB C 43.194 0.2 1 991 187 97 ASN CG C 177.185 0.2 1 992 187 97 ASN N N 116.524 0.2 1 993 187 97 ASN ND2 N 112.257 0.2 1 994 188 98 PRO HA H 4.984 0.02 1 995 188 98 PRO HB2 H 1.463 0.02 2 996 188 98 PRO HB3 H 1.264 0.02 2 997 188 98 PRO HG2 H 1.273 0.02 2 998 188 98 PRO HG3 H 1.115 0.02 2 999 188 98 PRO HD2 H 4.022 0.02 2 1000 188 98 PRO HD3 H 3.810 0.02 2 1001 188 98 PRO C C 175.300 0.2 1 1002 188 98 PRO CA C 62.427 0.2 1 1003 188 98 PRO CB C 32.653 0.2 1 1004 188 98 PRO CG C 27.348 0.2 1 1005 188 98 PRO CD C 50.579 0.2 1 1006 189 99 GLY H H 8.445 0.02 1 1007 189 99 GLY HA2 H 4.129 0.02 2 1008 189 99 GLY HA3 H 3.699 0.02 2 1009 189 99 GLY C C 170.640 0.2 1 1010 189 99 GLY CA C 46.020 0.2 1 1011 189 99 GLY N N 109.168 0.2 1 1012 190 100 LYS H H 8.673 0.02 1 1013 190 100 LYS HA H 5.168 0.02 1 1014 190 100 LYS HB2 H 1.686 0.02 2 1015 190 100 LYS HG2 H 1.421 0.02 2 1016 190 100 LYS HG3 H 1.014 0.02 2 1017 190 100 LYS HD2 H 1.329 0.02 2 1018 190 100 LYS HD3 H 1.125 0.02 2 1019 190 100 LYS HE2 H 2.839 0.02 2 1020 190 100 LYS HE3 H 2.663 0.02 2 1021 190 100 LYS C C 177.672 0.2 1 1022 190 100 LYS CA C 55.410 0.2 1 1023 190 100 LYS CB C 37.439 0.2 1 1024 190 100 LYS CG C 26.276 0.2 1 1025 190 100 LYS CD C 28.952 0.2 1 1026 190 100 LYS N N 118.876 0.2 1 1027 191 101 THR H H 8.339 0.02 1 1028 191 101 THR HA H 4.471 0.02 1 1029 191 101 THR HB H 4.937 0.02 1 1030 191 101 THR HG2 H 1.568 0.02 1 1031 191 101 THR CA C 61.391 0.2 1 1032 191 101 THR CB C 71.531 0.2 1 1033 191 101 THR CG2 C 22.662 0.2 1 1034 191 101 THR N N 114.992 0.2 1 1035 193 103 LYS HA H 4.294 0.02 1 1036 193 103 LYS HB2 H 1.912 0.02 2 1037 193 103 LYS HB3 H 1.603 0.02 2 1038 193 103 LYS HG2 H 1.464 0.02 2 1039 193 103 LYS HG3 H 1.406 0.02 2 1040 193 103 LYS HD2 H 1.609 0.02 2 1041 193 103 LYS HE2 H 2.920 0.02 2 1042 193 103 LYS C C 176.668 0.2 1 1043 193 103 LYS CA C 56.384 0.2 1 1044 193 103 LYS CB C 32.541 0.2 1 1045 193 103 LYS CG C 25.401 0.2 1 1046 193 103 LYS CD C 29.027 0.2 1 1047 193 103 LYS CE C 41.963 0.2 1 1048 194 104 GLY H H 8.097 0.02 1 1049 194 104 GLY HA2 H 4.399 0.02 2 1050 194 104 GLY HA3 H 3.242 0.02 2 1051 194 104 GLY C C 173.532 0.2 1 1052 194 104 GLY CA C 45.401 0.2 1 1053 194 104 GLY N N 107.378 0.2 1 1054 195 105 GLU H H 7.422 0.02 1 1055 195 105 GLU HA H 4.417 0.02 1 1056 195 105 GLU HB2 H 1.984 0.02 2 1057 195 105 GLU HB3 H 1.829 0.02 2 1058 195 105 GLU HG2 H 2.106 0.02 2 1059 195 105 GLU HG3 H 1.923 0.02 2 1060 195 105 GLU C C 177.186 0.2 1 1061 195 105 GLU CA C 55.464 0.2 1 1062 195 105 GLU CB C 30.078 0.2 1 1063 195 105 GLU CG C 35.331 0.2 1 1064 195 105 GLU N N 119.648 0.2 1 1065 196 106 LEU H H 9.424 0.02 1 1066 196 106 LEU HA H 4.461 0.02 1 1067 196 106 LEU HB2 H 2.030 0.02 2 1068 196 106 LEU HB3 H 1.601 0.02 2 1069 196 106 LEU HG H 1.888 0.02 1 1070 196 106 LEU HD1 H 1.204 0.02 2 1071 196 106 LEU HD2 H 1.138 0.02 2 1072 196 106 LEU C C 175.524 0.2 1 1073 196 106 LEU CA C 57.113 0.2 1 1074 196 106 LEU CB C 41.477 0.2 1 1075 196 106 LEU CG C 27.843 0.2 1 1076 196 106 LEU CD1 C 27.865 0.2 2 1077 196 106 LEU CD2 C 24.070 0.2 2 1078 196 106 LEU N N 132.942 0.2 1 1079 197 107 SER H H 9.363 0.02 1 1080 197 107 SER HA H 6.134 0.02 1 1081 197 107 SER HB2 H 3.670 0.02 2 1082 197 107 SER HB3 H 3.300 0.02 2 1083 197 107 SER C C 171.357 0.2 1 1084 197 107 SER CA C 56.977 0.2 1 1085 197 107 SER CB C 68.801 0.2 1 1086 197 107 SER N N 121.540 0.2 1 1087 198 108 ILE H H 8.553 0.02 1 1088 198 108 ILE HA H 5.122 0.02 1 1089 198 108 ILE HB H 1.274 0.02 1 1090 198 108 ILE HG12 H 1.312 0.02 2 1091 198 108 ILE HG13 H 0.454 0.02 2 1092 198 108 ILE HG2 H 0.649 0.02 1 1093 198 108 ILE HD1 H 0.572 0.02 1 1094 198 108 ILE C C 173.461 0.2 1 1095 198 108 ILE CA C 58.355 0.2 1 1096 198 108 ILE CB C 42.339 0.2 1 1097 198 108 ILE CG1 C 29.605 0.2 1 1098 198 108 ILE CG2 C 16.618 0.2 1 1099 198 108 ILE CD1 C 14.753 0.2 1 1100 198 108 ILE N N 118.334 0.2 1 1101 199 109 ILE H H 9.223 0.02 1 1102 199 109 ILE HA H 4.944 0.02 1 1103 199 109 ILE HB H 1.656 0.02 1 1104 199 109 ILE HG12 H 1.243 0.02 2 1105 199 109 ILE HG13 H 0.932 0.02 2 1106 199 109 ILE HG2 H 0.905 0.02 1 1107 199 109 ILE HD1 H 0.246 0.02 1 1108 199 109 ILE CA C 58.477 0.2 1 1109 199 109 ILE CB C 39.306 0.2 1 1110 199 109 ILE CG1 C 28.976 0.2 1 1111 199 109 ILE CG2 C 18.438 0.2 1 1112 199 109 ILE CD1 C 13.084 0.2 1 1113 199 109 ILE N N 132.404 0.2 1 1114 200 110 PRO HA H 4.566 0.02 1 1115 200 110 PRO HB2 H 2.039 0.02 2 1116 200 110 PRO HB3 H 1.932 0.02 2 1117 200 110 PRO HG2 H 2.406 0.02 2 1118 200 110 PRO HG3 H 1.686 0.02 2 1119 200 110 PRO HD2 H 4.568 0.02 2 1120 200 110 PRO HD3 H 3.891 0.02 2 1121 200 110 PRO C C 175.510 0.2 1 1122 200 110 PRO CA C 63.382 0.2 1 1123 200 110 PRO CB C 33.281 0.2 1 1124 200 110 PRO CG C 27.107 0.2 1 1125 200 110 PRO CD C 51.437 0.2 1 1126 201 111 TYR H H 9.861 0.02 1 1127 201 111 TYR HA H 4.729 0.02 1 1128 201 111 TYR HB2 H 3.345 0.02 2 1129 201 111 TYR HB3 H 2.508 0.02 2 1130 201 111 TYR HD1 H 7.057 0.02 3 1131 201 111 TYR HE1 H 6.812 0.02 3 1132 201 111 TYR C C 173.735 0.2 1 1133 201 111 TYR CA C 59.503 0.2 1 1134 201 111 TYR CB C 41.100 0.2 1 1135 201 111 TYR CD1 C 133.264 0.2 3 1136 201 111 TYR CE1 C 118.200 0.2 3 1137 201 111 TYR N N 124.734 0.2 1 1138 202 112 GLU H H 7.624 0.02 1 1139 202 112 GLU HA H 3.995 0.02 1 1140 202 112 GLU HB2 H 1.880 0.02 2 1141 202 112 GLU HB3 H 1.720 0.02 2 1142 202 112 GLU HG2 H 2.126 0.02 2 1143 202 112 GLU HG3 H 1.978 0.02 2 1144 202 112 GLU C C 174.406 0.2 1 1145 202 112 GLU CA C 56.988 0.2 1 1146 202 112 GLU CB C 34.237 0.2 1 1147 202 112 GLU CG C 37.230 0.2 1 1148 202 112 GLU N N 113.341 0.2 1 1149 203 113 ILE H H 8.924 0.02 1 1150 203 113 ILE HA H 4.805 0.02 1 1151 203 113 ILE HB H 1.713 0.02 1 1152 203 113 ILE HG12 H 1.784 0.02 2 1153 203 113 ILE HG13 H 0.897 0.02 2 1154 203 113 ILE HG2 H 0.711 0.02 1 1155 203 113 ILE HD1 H 0.653 0.02 1 1156 203 113 ILE C C 173.499 0.2 1 1157 203 113 ILE CA C 60.509 0.2 1 1158 203 113 ILE CB C 40.905 0.2 1 1159 203 113 ILE CG1 C 29.075 0.2 1 1160 203 113 ILE CG2 C 19.003 0.2 1 1161 203 113 ILE CD1 C 12.941 0.2 1 1162 203 113 ILE N N 130.104 0.2 1 1163 204 114 THR H H 9.153 0.02 1 1164 204 114 THR HA H 4.392 0.02 1 1165 204 114 THR HB H 3.389 0.02 1 1166 204 114 THR HG2 H 1.133 0.02 1 1167 204 114 THR C C 173.173 0.2 1 1168 204 114 THR CA C 61.321 0.2 1 1169 204 114 THR CB C 71.444 0.2 1 1170 204 114 THR CG2 C 21.538 0.2 1 1171 204 114 THR N N 123.679 0.2 1 1172 205 115 LEU H H 8.954 0.02 1 1173 205 115 LEU HA H 4.331 0.02 1 1174 205 115 LEU HB2 H 1.719 0.02 2 1175 205 115 LEU HB3 H 1.301 0.02 2 1176 205 115 LEU HG H 1.421 0.02 1 1177 205 115 LEU HD1 H 0.820 0.02 2 1178 205 115 LEU CA C 56.136 0.2 1 1179 205 115 LEU CB C 42.640 0.2 1 1180 205 115 LEU CG C 27.774 0.2 1 1181 205 115 LEU CD1 C 25.626 0.2 2 1182 205 115 LEU N N 130.119 0.2 1 1183 212 122 MET HA H 4.390 0.02 1 1184 212 122 MET HB2 H 2.055 0.02 2 1185 212 122 MET HG2 H 2.563 0.02 2 1186 212 122 MET HG3 H 2.457 0.02 2 1187 212 122 MET C C 175.908 0.2 1 1188 212 122 MET CA C 56.230 0.2 1 1189 212 122 MET CB C 33.056 0.2 1 1190 212 122 MET CG C 32.674 0.2 1 1191 213 123 LEU H H 8.249 0.02 1 1192 213 123 LEU HA H 4.622 0.02 1 1193 213 123 LEU HB2 H 1.506 0.02 2 1194 213 123 LEU HG H 1.617 0.02 1 1195 213 123 LEU HD1 H 0.865 0.02 2 1196 213 123 LEU CA C 52.924 0.2 1 1197 213 123 LEU CB C 41.568 0.2 1 1198 213 123 LEU CG C 27.111 0.2 1 1199 213 123 LEU CD1 C 23.345 0.2 2 1200 213 123 LEU N N 125.521 0.2 1 1201 214 124 PRO HA H 4.426 0.02 1 1202 214 124 PRO HB2 H 2.250 0.02 2 1203 214 124 PRO HB3 H 1.862 0.02 2 1204 214 124 PRO HG2 H 1.996 0.02 2 1205 214 124 PRO HD2 H 3.790 0.02 2 1206 214 124 PRO HD3 H 3.640 0.02 2 1207 214 124 PRO C C 176.457 0.2 1 1208 214 124 PRO CA C 63.190 0.2 1 1209 214 124 PRO CB C 32.128 0.2 1 1210 214 124 PRO CG C 27.356 0.2 1 1211 214 124 PRO CD C 50.469 0.2 1 1212 215 125 HIS H H 8.277 0.02 1 1213 215 125 HIS HA H 4.625 0.02 1 1214 215 125 HIS HB2 H 3.133 0.02 2 1215 215 125 HIS HD2 H 7.036 0.02 1 1216 215 125 HIS C C 174.347 0.2 1 1217 215 125 HIS CA C 56.064 0.2 1 1218 215 125 HIS CB C 30.622 0.2 1 1219 215 125 HIS CD2 C 120.457 0.2 1 1220 215 125 HIS N N 119.851 0.2 1 1221 216 126 LEU H H 7.747 0.02 1 1222 216 126 LEU HA H 4.175 0.02 1 1223 216 126 LEU HB2 H 1.546 0.02 2 1224 216 126 LEU HG H 1.452 0.02 1 1225 216 126 LEU HD1 H 0.858 0.02 2 1226 216 126 LEU HD2 H 0.826 0.02 2 1227 216 126 LEU CA C 56.753 0.2 1 1228 216 126 LEU CB C 43.514 0.2 1 1229 216 126 LEU CG C 27.192 0.2 1 1230 216 126 LEU CD1 C 25.360 0.2 2 1231 216 126 LEU CD2 C 23.643 0.2 2 1232 216 126 LEU N N 129.484 0.2 1 stop_ save_