data_18612 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of human HisRS splice variant ; _BMRB_accession_number 18612 _BMRB_flat_file_name bmr18612.str _Entry_type original _Submission_date 2012-07-24 _Accession_date 2012-07-24 _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 Ye Fei . . 2 Wei Zhiyi . . 3 Wu Jingjing . . 4 Schimmel Paul . . 5 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 872 "13C chemical shifts" 503 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-03 original author . stop_ _Original_release_date 2013-09-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR solution structure of human HisRS splice variant' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Fei . . 2 Wei Zhiyi . . 3 Wu Jingjing . . 4 Schimmel Paul . . 5 Zhang Mingjie . . stop_ _Journal_abbreviation Structure _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HisRS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HisRS $HisRS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HisRS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HisRS _Molecular_mass 19208.521 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; AERAALEELVKLQGERVRGL KQQKASAELIEEEVAKLLKL KAQLGPDESKQKFVLKTPKA LEEKIRTTETQVLVASAQKK LLEERLKLVSELQDAGIKAE LLYKKNPKLLNQLQYCEEAG IPLVAIIGEQELKDGVIKLR SVTSREEVDVRREDLVEEIK RRTGQPLSIS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 GLU 3 3 ARG 4 4 ALA 5 5 ALA 6 6 LEU 7 7 GLU 8 8 GLU 9 9 LEU 10 10 VAL 11 11 LYS 12 12 LEU 13 13 GLN 14 14 GLY 15 15 GLU 16 16 ARG 17 17 VAL 18 18 ARG 19 19 GLY 20 20 LEU 21 21 LYS 22 22 GLN 23 23 GLN 24 24 LYS 25 25 ALA 26 26 SER 27 27 ALA 28 28 GLU 29 29 LEU 30 30 ILE 31 31 GLU 32 32 GLU 33 33 GLU 34 34 VAL 35 35 ALA 36 36 LYS 37 37 LEU 38 38 LEU 39 39 LYS 40 40 LEU 41 41 LYS 42 42 ALA 43 43 GLN 44 44 LEU 45 45 GLY 46 46 PRO 47 47 ASP 48 48 GLU 49 49 SER 50 50 LYS 51 51 GLN 52 52 LYS 53 53 PHE 54 54 VAL 55 55 LEU 56 56 LYS 57 57 THR 58 58 PRO 59 59 LYS 60 60 ALA 61 61 LEU 62 62 GLU 63 63 GLU 64 64 LYS 65 65 ILE 66 66 ARG 67 67 THR 68 68 THR 69 69 GLU 70 70 THR 71 71 GLN 72 72 VAL 73 73 LEU 74 74 VAL 75 75 ALA 76 76 SER 77 77 ALA 78 78 GLN 79 79 LYS 80 80 LYS 81 81 LEU 82 82 LEU 83 83 GLU 84 84 GLU 85 85 ARG 86 86 LEU 87 87 LYS 88 88 LEU 89 89 VAL 90 90 SER 91 91 GLU 92 92 LEU 93 93 GLN 94 94 ASP 95 95 ALA 96 96 GLY 97 97 ILE 98 98 LYS 99 99 ALA 100 100 GLU 101 101 LEU 102 102 LEU 103 103 TYR 104 104 LYS 105 105 LYS 106 106 ASN 107 107 PRO 108 108 LYS 109 109 LEU 110 110 LEU 111 111 ASN 112 112 GLN 113 113 LEU 114 114 GLN 115 115 TYR 116 116 CYS 117 117 GLU 118 118 GLU 119 119 ALA 120 120 GLY 121 121 ILE 122 122 PRO 123 123 LEU 124 124 VAL 125 125 ALA 126 126 ILE 127 127 ILE 128 128 GLY 129 129 GLU 130 130 GLN 131 131 GLU 132 132 LEU 133 133 LYS 134 134 ASP 135 135 GLY 136 136 VAL 137 137 ILE 138 138 LYS 139 139 LEU 140 140 ARG 141 141 SER 142 142 VAL 143 143 THR 144 144 SER 145 145 ARG 146 146 GLU 147 147 GLU 148 148 VAL 149 149 ASP 150 150 VAL 151 151 ARG 152 152 ARG 153 153 GLU 154 154 ASP 155 155 LEU 156 156 VAL 157 157 GLU 158 158 GLU 159 159 ILE 160 160 LYS 161 161 ARG 162 162 ARG 163 163 THR 164 164 GLY 165 165 GLN 166 166 PRO 167 167 LEU 168 168 SER 169 169 ILE 170 170 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-19 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 2LW7 "Nmr Solution Structure Of Human Hisrs Splice Variant" 100.00 170 100.00 100.00 2.81e-109 PDB 4G84 "Crystal Structure Of Human Hisrs" 63.53 464 99.07 99.07 1.03e-60 DBJ BAG54103 "unnamed protein product [Homo sapiens]" 65.29 440 97.30 97.30 5.71e-62 GB EAW62021 "histidyl-tRNA synthetase, isoform CRA_a [Homo sapiens]" 65.29 440 97.30 97.30 5.71e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HisRS Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HisRS 'recombinant technology' . Escherichia coli . pET32 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 $HisRS 0.8 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'nautral abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . 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 water C 13 protons ppm 4.72 internal indirect . . . 0.10 water H 1 protons ppm 4.72 internal direct . . . 1 water N 15 protons ppm 4.72 internal indirect . . . 0.25 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 CBCA(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' 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 HisRS _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 HA H 4.2760 . 1 2 1 1 ALA HB H 1.4570 . 1 3 1 1 ALA H H 8.6520 . 1 4 1 1 ALA CA C 54.4880 . 1 5 1 1 ALA CB C 18.2300 . 1 6 1 1 ALA N N 126.7140 . 1 7 2 2 GLU H H 8.4980 . 1 8 2 2 GLU HA H 4.1420 . 1 9 2 2 GLU HB2 H 2.0970 . 2 10 2 2 GLU HB3 H 2.0590 . 2 11 2 2 GLU HG2 H 2.3380 . 1 12 2 2 GLU HG3 H 2.3380 . 1 13 2 2 GLU CA C 59.0700 . 1 14 2 2 GLU CB C 29.5000 . 1 15 2 2 GLU CG C 36.5840 . 1 16 2 2 GLU N N 120.3290 . 1 17 3 3 ARG H H 8.2380 . 1 18 3 3 ARG HA H 4.0240 . 1 19 3 3 ARG HB2 H 1.8930 . 1 20 3 3 ARG HB3 H 1.8930 . 1 21 3 3 ARG HG2 H 1.6520 . 1 22 3 3 ARG HG3 H 1.6520 . 1 23 3 3 ARG HD2 H 3.2390 . 1 24 3 3 ARG HD3 H 3.2390 . 1 25 3 3 ARG CA C 59.2400 . 1 26 3 3 ARG CB C 29.9500 . 1 27 3 3 ARG CG C 28.1800 . 1 28 3 3 ARG CD C 69.1400 . 1 29 3 3 ARG N N 121.5470 . 1 30 4 4 ALA H H 8.0680 . 1 31 4 4 ALA HA H 4.2030 . 1 32 4 4 ALA HB H 1.5260 . 1 33 4 4 ALA CA C 55.0390 . 1 34 4 4 ALA CB C 17.9100 . 1 35 4 4 ALA N N 121.4490 . 1 36 5 5 ALA H H 7.8310 . 1 37 5 5 ALA HA H 4.2180 . 1 38 5 5 ALA HB H 1.5180 . 1 39 5 5 ALA CA C 54.7430 . 1 40 5 5 ALA CB C 18.4100 . 1 41 5 5 ALA N N 121.0000 . 1 42 6 6 LEU H H 7.9190 . 1 43 6 6 LEU HA H 4.1610 . 1 44 6 6 LEU HB2 H 1.6540 . 2 45 6 6 LEU HB3 H 1.8750 . 2 46 6 6 LEU HG H 1.6700 . 1 47 6 6 LEU HD1 H 0.9210 . 1 48 6 6 LEU HD2 H 0.8720 . 1 49 6 6 LEU CA C 57.9500 . 1 50 6 6 LEU CB C 42.0410 . 1 51 6 6 LEU CG C 27.6300 . 1 52 6 6 LEU CD1 C 24.9100 . 2 53 6 6 LEU CD2 C 24.9400 . 2 54 6 6 LEU N N 121.4020 . 1 55 7 7 GLU H H 8.7060 . 1 56 7 7 GLU HA H 3.8580 . 1 57 7 7 GLU HB2 H 2.2360 . 2 58 7 7 GLU HB3 H 2.0440 . 2 59 7 7 GLU HG2 H 2.5120 . 2 60 7 7 GLU HG3 H 2.2430 . 2 61 7 7 GLU CA C 60.2300 . 1 62 7 7 GLU CB C 29.5400 . 1 63 7 7 GLU CG C 37.4420 . 1 64 7 7 GLU N N 119.2030 . 1 65 8 8 GLU H H 7.7610 . 1 66 8 8 GLU HA H 4.1950 . 1 67 8 8 GLU HB2 H 2.1680 . 1 68 8 8 GLU HB3 H 2.1680 . 1 69 8 8 GLU HG2 H 2.3520 . 1 70 8 8 GLU HG3 H 2.3520 . 1 71 8 8 GLU CA C 59.1700 . 1 72 8 8 GLU CB C 29.4600 . 1 73 8 8 GLU CG C 35.7190 . 1 74 8 8 GLU N N 120.1940 . 1 75 9 9 LEU H H 7.9130 . 1 76 9 9 LEU HA H 4.1640 . 1 77 9 9 LEU HB2 H 1.6150 . 2 78 9 9 LEU HB3 H 2.1170 . 2 79 9 9 LEU HG H 1.9220 . 1 80 9 9 LEU HD1 H 0.9240 . 1 81 9 9 LEU HD2 H 0.9540 . 1 82 9 9 LEU CA C 58.1200 . 1 83 9 9 LEU CB C 41.7880 . 1 84 9 9 LEU CG C 26.9400 . 1 85 9 9 LEU CD1 C 23.4800 . 2 86 9 9 LEU CD2 C 25.4000 . 2 87 9 9 LEU N N 120.5260 . 1 88 10 10 VAL H H 8.5700 . 1 89 10 10 VAL HA H 3.4570 . 1 90 10 10 VAL HB H 2.2450 . 1 91 10 10 VAL HG1 H 1.0060 . 1 92 10 10 VAL HG2 H 0.9310 . 1 93 10 10 VAL CA C 67.0300 . 1 94 10 10 VAL CB C 32.0470 . 1 95 10 10 VAL CG1 C 24.9400 . 2 96 10 10 VAL CG2 C 22.2200 . 2 97 10 10 VAL N N 120.8040 . 1 98 11 11 LYS H H 7.9090 . 1 99 11 11 LYS HA H 4.0440 . 1 100 11 11 LYS HB2 H 1.9940 . 2 101 11 11 LYS HB3 H 2.0610 . 2 102 11 11 LYS HG2 H 1.3640 . 2 103 11 11 LYS HG3 H 1.6060 . 2 104 11 11 LYS HD2 H 1.7230 . 1 105 11 11 LYS HD3 H 1.7230 . 1 106 11 11 LYS HE2 H 2.9620 . 1 107 11 11 LYS HE3 H 2.9620 . 1 108 11 11 LYS CA C 59.8700 . 1 109 11 11 LYS CB C 32.3920 . 1 110 11 11 LYS CG C 25.2700 . 1 111 11 11 LYS CD C 29.6000 . 1 112 11 11 LYS CE C 67.8800 . 1 113 11 11 LYS N N 123.1750 . 1 114 12 12 LEU H H 8.4360 . 1 115 12 12 LEU HA H 4.1060 . 1 116 12 12 LEU HB2 H 1.6250 . 2 117 12 12 LEU HB3 H 1.9150 . 2 118 12 12 LEU HG H 1.8560 . 1 119 12 12 LEU HD1 H 0.9200 . 1 120 12 12 LEU HD2 H 0.9660 . 1 121 12 12 LEU CA C 57.9200 . 1 122 12 12 LEU CB C 41.8370 . 1 123 12 12 LEU CG C 27.1600 . 1 124 12 12 LEU CD1 C 23.4500 . 2 125 12 12 LEU CD2 C 26.3300 . 2 126 12 12 LEU N N 120.7720 . 1 127 13 13 GLN H H 8.7100 . 1 128 13 13 GLN HA H 4.3340 . 1 129 13 13 GLN HB2 H 1.9420 . 2 130 13 13 GLN HB3 H 2.2920 . 2 131 13 13 GLN HG2 H 2.3450 . 2 132 13 13 GLN HG3 H 2.1770 . 2 133 13 13 GLN CA C 57.4000 . 1 134 13 13 GLN CB C 26.5200 . 1 135 13 13 GLN CG C 32.3750 . 1 136 13 13 GLN N N 121.6770 . 1 137 14 14 GLY H H 8.7140 . 1 138 14 14 GLY HA2 H 3.7850 . 2 139 14 14 GLY HA3 H 4.1020 . 2 140 14 14 GLY CA C 47.5630 . 1 141 14 14 GLY N N 109.5430 . 1 142 15 15 GLU H H 7.9130 . 1 143 15 15 GLU HA H 4.1480 . 1 144 15 15 GLU HB2 H 2.1020 . 2 145 15 15 GLU HB3 H 2.2190 . 2 146 15 15 GLU HG2 H 2.4220 . 1 147 15 15 GLU HG3 H 2.4220 . 1 148 15 15 GLU CA C 58.9700 . 1 149 15 15 GLU CB C 29.4600 . 1 150 15 15 GLU CG C 36.1420 . 1 151 15 15 GLU N N 123.1440 . 1 152 16 16 ARG H H 8.1040 . 1 153 16 16 ARG HA H 4.1380 . 1 154 16 16 ARG HB2 H 1.9200 . 2 155 16 16 ARG HB3 H 2.0670 . 2 156 16 16 ARG HG2 H 1.7260 . 2 157 16 16 ARG HG3 H 1.4030 . 2 158 16 16 ARG HD2 H 3.2320 . 2 159 16 16 ARG HD3 H 3.2670 . 2 160 16 16 ARG CA C 58.9700 . 1 161 16 16 ARG CB C 29.4000 . 1 162 16 16 ARG CG C 27.0000 . 1 163 16 16 ARG CD C 69.5500 . 1 164 16 16 ARG N N 123.1350 . 1 165 17 17 VAL H H 8.1920 . 1 166 17 17 VAL HA H 3.4130 . 1 167 17 17 VAL HB H 2.2440 . 1 168 17 17 VAL HG1 H 0.9300 . 1 169 17 17 VAL HG2 H 1.0850 . 1 170 17 17 VAL CA C 67.4500 . 1 171 17 17 VAL CB C 32.0580 . 1 172 17 17 VAL CG1 C 22.4600 . 2 173 17 17 VAL CG2 C 24.3700 . 2 174 17 17 VAL N N 119.5010 . 1 175 18 18 ARG H H 7.9800 . 1 176 18 18 ARG HA H 3.9340 . 1 177 18 18 ARG HB2 H 1.9340 . 2 178 18 18 ARG HB3 H 1.9370 . 2 179 18 18 ARG HG2 H 1.5490 . 2 180 18 18 ARG HG3 H 1.8010 . 2 181 18 18 ARG HD2 H 3.2340 . 1 182 18 18 ARG HD3 H 3.2340 . 1 183 18 18 ARG CA C 60.0600 . 1 184 18 18 ARG CB C 30.2720 . 1 185 18 18 ARG CG C 27.0700 . 1 186 18 18 ARG CD C 69.2300 . 1 187 18 18 ARG N N 119.3720 . 1 188 19 19 GLY H H 8.3620 . 1 189 19 19 GLY HA2 H 3.9700 . 2 190 19 19 GLY HA3 H 3.8960 . 2 191 19 19 GLY CA C 47.3620 . 1 192 19 19 GLY N N 107.2410 . 1 193 20 20 LEU H H 8.0490 . 1 194 20 20 LEU HA H 4.0490 . 1 195 20 20 LEU HB2 H 1.1980 . 2 196 20 20 LEU HB3 H 1.9550 . 2 197 20 20 LEU HG H 1.4120 . 1 198 20 20 LEU HD1 H 0.7480 . 1 199 20 20 LEU HD2 H 0.8040 . 1 200 20 20 LEU CA C 57.8900 . 1 201 20 20 LEU CB C 42.4200 . 1 202 20 20 LEU CG C 20.6200 . 1 203 20 20 LEU CD1 C 27.1600 . 2 204 20 20 LEU CD2 C 22.7300 . 2 205 20 20 LEU N N 122.6270 . 1 206 21 21 LYS H H 8.1230 . 1 207 21 21 LYS HA H 4.0580 . 1 208 21 21 LYS HB2 H 1.9390 . 2 209 21 21 LYS HB3 H 1.9410 . 2 210 21 21 LYS HG2 H 1.4460 . 2 211 21 21 LYS HG3 H 1.6920 . 2 212 21 21 LYS HD2 H 1.6540 . 1 213 21 21 LYS HD3 H 1.6540 . 1 214 21 21 LYS HE2 H 2.8890 . 2 215 21 21 LYS HE3 H 2.7520 . 2 216 21 21 LYS CA C 60.0100 . 1 217 21 21 LYS CB C 32.5940 . 1 218 21 21 LYS CG C 26.7700 . 1 219 21 21 LYS CD C 29.9500 . 1 220 21 21 LYS CE C 67.5400 . 1 221 21 21 LYS N N 118.2550 . 1 222 22 22 GLN H H 8.2340 . 1 223 22 22 GLN HA H 4.0870 . 1 224 22 22 GLN HB2 H 2.2710 . 1 225 22 22 GLN HB3 H 2.2710 . 1 226 22 22 GLN HG2 H 2.4620 . 2 227 22 22 GLN HG3 H 2.5540 . 2 228 22 22 GLN CA C 58.7600 . 1 229 22 22 GLN CB C 28.6000 . 1 230 22 22 GLN CG C 33.9710 . 1 231 22 22 GLN N N 121.1830 . 1 232 23 23 GLN H H 7.8200 . 1 233 23 23 GLN HA H 4.2630 . 1 234 23 23 GLN HB2 H 2.0970 . 2 235 23 23 GLN HB3 H 2.2450 . 2 236 23 23 GLN HG2 H 2.5510 . 2 237 23 23 GLN HG3 H 2.4820 . 2 238 23 23 GLN CA C 55.6780 . 1 239 23 23 GLN CB C 29.2700 . 1 240 23 23 GLN CG C 34.1510 . 1 241 23 23 GLN N N 116.2190 . 1 242 24 24 LYS H H 7.8840 . 1 243 24 24 LYS HA H 3.9120 . 1 244 24 24 LYS HB2 H 1.8710 . 2 245 24 24 LYS HB3 H 2.0730 . 2 246 24 24 LYS HG2 H 1.3880 . 1 247 24 24 LYS HG3 H 1.3880 . 1 248 24 24 LYS HD2 H 1.7540 . 2 249 24 24 LYS HD3 H 1.6860 . 2 250 24 24 LYS HE2 H 3.0340 . 1 251 24 24 LYS HE3 H 3.0340 . 1 252 24 24 LYS CA C 57.0300 . 1 253 24 24 LYS CB C 28.8500 . 1 254 24 24 LYS CG C 25.1700 . 1 255 24 24 LYS CD C 29.2200 . 1 256 24 24 LYS CE C 68.1000 . 1 257 24 24 LYS N N 117.3490 . 1 258 25 25 ALA H H 7.6200 . 1 259 25 25 ALA HA H 4.2790 . 1 260 25 25 ALA HB H 1.4180 . 1 261 25 25 ALA CA C 52.0200 . 1 262 25 25 ALA CB C 21.3200 . 1 263 25 25 ALA N N 119.9090 . 1 264 26 26 SER H H 8.2280 . 1 265 26 26 SER HA H 4.2440 . 1 266 26 26 SER HB2 H 3.9770 . 2 267 26 26 SER HB3 H 4.1710 . 2 268 26 26 SER CA C 58.3900 . 1 269 26 26 SER CB C 63.8300 . 1 270 26 26 SER N N 113.1880 . 1 271 27 27 ALA H H 8.7690 . 1 272 27 27 ALA HA H 3.9840 . 1 273 27 27 ALA HB H 1.4870 . 1 274 27 27 ALA CA C 55.5820 . 1 275 27 27 ALA CB C 18.7700 . 1 276 27 27 ALA N N 127.5500 . 1 277 28 28 GLU H H 8.8300 . 1 278 28 28 GLU HA H 4.0740 . 1 279 28 28 GLU HB2 H 2.0100 . 1 280 28 28 GLU HB3 H 2.0100 . 1 281 28 28 GLU HG2 H 2.3260 . 2 282 28 28 GLU HG3 H 2.3640 . 2 283 28 28 GLU CA C 59.7000 . 1 284 28 28 GLU CB C 29.0800 . 1 285 28 28 GLU CG C 36.7160 . 1 286 28 28 GLU N N 117.3170 . 1 287 29 29 LEU H H 7.4010 . 1 288 29 29 LEU HA H 4.3110 . 1 289 29 29 LEU HB2 H 1.6930 . 2 290 29 29 LEU HB3 H 1.8740 . 2 291 29 29 LEU HG H 1.5700 . 1 292 29 29 LEU HD1 H 0.9600 . 1 293 29 29 LEU HD2 H 1.0200 . 1 294 29 29 LEU CA C 57.5700 . 1 295 29 29 LEU CB C 41.6050 . 1 296 29 29 LEU CG C 27.5800 . 1 297 29 29 LEU CD1 C 25.8000 . 2 298 29 29 LEU CD2 C 24.2600 . 2 299 29 29 LEU N N 122.9710 . 1 300 30 30 ILE H H 8.0190 . 1 301 30 30 ILE HA H 3.3970 . 1 302 30 30 ILE HB H 1.8760 . 1 303 30 30 ILE HG12 H 1.6730 . 2 304 30 30 ILE HG13 H 0.7500 . 2 305 30 30 ILE HG2 H 0.8780 . 1 306 30 30 ILE HD1 H 0.7450 . 1 307 30 30 ILE CA C 66.3100 . 1 308 30 30 ILE CB C 37.8230 . 1 309 30 30 ILE CG1 C 30.8030 . 1 310 30 30 ILE CG2 C 17.7800 . 1 311 30 30 ILE CD1 C 13.7800 . 1 312 30 30 ILE N N 118.7840 . 1 313 31 31 GLU H H 8.3670 . 1 314 31 31 GLU HA H 3.9680 . 1 315 31 31 GLU HB2 H 2.1320 . 2 316 31 31 GLU HB3 H 2.0830 . 2 317 31 31 GLU HG2 H 2.3950 . 2 318 31 31 GLU HG3 H 2.3150 . 2 319 31 31 GLU CA C 59.8400 . 1 320 31 31 GLU CB C 29.4400 . 1 321 31 31 GLU CG C 36.3330 . 1 322 31 31 GLU N N 118.2150 . 1 323 32 32 GLU H H 7.6670 . 1 324 32 32 GLU HA H 4.1540 . 1 325 32 32 GLU HB2 H 2.1780 . 2 326 32 32 GLU HB3 H 2.2900 . 2 327 32 32 GLU HG2 H 2.4220 . 2 328 32 32 GLU HG3 H 2.2850 . 2 329 32 32 GLU CA C 59.3800 . 1 330 32 32 GLU CB C 29.8400 . 1 331 32 32 GLU CG C 36.1420 . 1 332 32 32 GLU N N 120.2840 . 1 333 33 33 GLU H H 8.1560 . 1 334 33 33 GLU HA H 4.2180 . 1 335 33 33 GLU HB2 H 1.9120 . 2 336 33 33 GLU HB3 H 1.9600 . 2 337 33 33 GLU HG2 H 2.5630 . 2 338 33 33 GLU HG3 H 2.1130 . 2 339 33 33 GLU CA C 58.3800 . 1 340 33 33 GLU CB C 28.1800 . 1 341 33 33 GLU CG C 35.7420 . 1 342 33 33 GLU N N 120.0100 . 1 343 34 34 VAL H H 9.2430 . 1 344 34 34 VAL HA H 3.6420 . 1 345 34 34 VAL HB H 2.2090 . 1 346 34 34 VAL HG1 H 1.0920 . 1 347 34 34 VAL HG2 H 0.9760 . 1 348 34 34 VAL CA C 66.8500 . 1 349 34 34 VAL CB C 31.8400 . 1 350 34 34 VAL CG1 C 24.8000 . 2 351 34 34 VAL CG2 C 21.0600 . 2 352 34 34 VAL N N 125.3220 . 1 353 35 35 ALA H H 8.1600 . 1 354 35 35 ALA HA H 4.0980 . 1 355 35 35 ALA HB H 1.5470 . 1 356 35 35 ALA CA C 55.7420 . 1 357 35 35 ALA CB C 17.2500 . 1 358 35 35 ALA N N 123.2140 . 1 359 36 36 LYS H H 7.6070 . 1 360 36 36 LYS HA H 3.9950 . 1 361 36 36 LYS HB2 H 1.8520 . 2 362 36 36 LYS HB3 H 1.9560 . 2 363 36 36 LYS HG2 H 1.3380 . 2 364 36 36 LYS HG3 H 1.6780 . 2 365 36 36 LYS HD2 H 1.7010 . 1 366 36 36 LYS HD3 H 1.7010 . 1 367 36 36 LYS HE2 H 2.8800 . 1 368 36 36 LYS HE3 H 2.8800 . 1 369 36 36 LYS CA C 59.8000 . 1 370 36 36 LYS CB C 32.8620 . 1 371 36 36 LYS CG C 25.8700 . 1 372 36 36 LYS CD C 29.8000 . 1 373 36 36 LYS CE C 67.7400 . 1 374 36 36 LYS N N 117.9790 . 1 375 37 37 LEU H H 7.7620 . 1 376 37 37 LEU HA H 4.0030 . 1 377 37 37 LEU HB2 H 2.6270 . 2 378 37 37 LEU HB3 H 1.4710 . 2 379 37 37 LEU HG H 1.5750 . 1 380 37 37 LEU HD1 H 1.0020 . 1 381 37 37 LEU HD2 H 1.0380 . 1 382 37 37 LEU CA C 58.5100 . 1 383 37 37 LEU CB C 42.0300 . 1 384 37 37 LEU CG C 27.4200 . 1 385 37 37 LEU CD1 C 24.3400 . 2 386 37 37 LEU CD2 C 26.7500 . 2 387 37 37 LEU N N 120.9570 . 1 388 38 38 LEU H H 8.6360 . 1 389 38 38 LEU HA H 3.9760 . 1 390 38 38 LEU HB2 H 1.9060 . 2 391 38 38 LEU HB3 H 1.5560 . 2 392 38 38 LEU HG H 1.9040 . 1 393 38 38 LEU HD1 H 0.9010 . 1 394 38 38 LEU HD2 H 0.8620 . 1 395 38 38 LEU CA C 58.2700 . 1 396 38 38 LEU CB C 40.9580 . 1 397 38 38 LEU CG C 27.2300 . 1 398 38 38 LEU CD1 C 25.5100 . 2 399 38 38 LEU CD2 C 22.2800 . 2 400 38 38 LEU N N 118.9100 . 1 401 39 39 LYS H H 7.8640 . 1 402 39 39 LYS HA H 4.0800 . 1 403 39 39 LYS HB2 H 1.9350 . 2 404 39 39 LYS HB3 H 1.9530 . 2 405 39 39 LYS HG2 H 1.5970 . 2 406 39 39 LYS HG3 H 1.4230 . 2 407 39 39 LYS HD2 H 1.6870 . 1 408 39 39 LYS HD3 H 1.6870 . 1 409 39 39 LYS HE2 H 2.9530 . 1 410 39 39 LYS HE3 H 2.9530 . 1 411 39 39 LYS CA C 59.4510 . 1 412 39 39 LYS CB C 32.6580 . 1 413 39 39 LYS CG C 25.4500 . 1 414 39 39 LYS CD C 29.3900 . 1 415 39 39 LYS CE C 67.9300 . 1 416 39 39 LYS N N 120.8040 . 1 417 40 40 LEU H H 7.8310 . 1 418 40 40 LEU HA H 4.1100 . 1 419 40 40 LEU HB2 H 1.3860 . 2 420 40 40 LEU HB3 H 2.0520 . 2 421 40 40 LEU HG H 1.8570 . 1 422 40 40 LEU HD1 H 0.8540 . 1 423 40 40 LEU HD2 H 0.7880 . 1 424 40 40 LEU CA C 57.9400 . 1 425 40 40 LEU CB C 43.0860 . 1 426 40 40 LEU CG C 27.1600 . 1 427 40 40 LEU CD1 C 23.3000 . 2 428 40 40 LEU CD2 C 26.3500 . 2 429 40 40 LEU N N 120.9400 . 1 430 41 41 LYS H H 8.4930 . 1 431 41 41 LYS HA H 3.8500 . 1 432 41 41 LYS HB2 H 1.8570 . 2 433 41 41 LYS HB3 H 1.9050 . 2 434 41 41 LYS HG2 H 1.4390 . 2 435 41 41 LYS HG3 H 1.7290 . 2 436 41 41 LYS HD2 H 1.6130 . 2 437 41 41 LYS HD3 H 1.6970 . 2 438 41 41 LYS HE2 H 2.8950 . 2 439 41 41 LYS HE3 H 2.9280 . 2 440 41 41 LYS CA C 60.0800 . 1 441 41 41 LYS CB C 32.5030 . 1 442 41 41 LYS CG C 26.2600 . 1 443 41 41 LYS CD C 29.6900 . 1 444 41 41 LYS CE C 67.3400 . 1 445 41 41 LYS N N 117.5630 . 1 446 42 42 ALA H H 7.9180 . 1 447 42 42 ALA HA H 4.1890 . 1 448 42 42 ALA HB H 1.5360 . 1 449 42 42 ALA CA C 54.2800 . 1 450 42 42 ALA CB C 17.9000 . 1 451 42 42 ALA N N 121.3960 . 1 452 43 43 GLN H H 7.5910 . 1 453 43 43 GLN HA H 4.1360 . 1 454 43 43 GLN HB2 H 2.2350 . 2 455 43 43 GLN HB3 H 2.3060 . 2 456 43 43 GLN HG2 H 2.6010 . 2 457 43 43 GLN HG3 H 2.3930 . 2 458 43 43 GLN CA C 57.4100 . 1 459 43 43 GLN CB C 29.5800 . 1 460 43 43 GLN CG C 34.5890 . 1 461 43 43 GLN N N 116.8830 . 1 462 44 44 LEU H H 7.5740 . 1 463 44 44 LEU HA H 4.2080 . 1 464 44 44 LEU HB2 H 1.7520 . 2 465 44 44 LEU HB3 H 1.7810 . 2 466 44 44 LEU HG H 1.7170 . 1 467 44 44 LEU HD1 H 0.9660 . 1 468 44 44 LEU HD2 H 0.9230 . 1 469 44 44 LEU CA C 56.0770 . 1 470 44 44 LEU CB C 42.4270 . 1 471 44 44 LEU CG C 27.1500 . 1 472 44 44 LEU CD1 C 25.9300 . 2 473 44 44 LEU CD2 C 24.9400 . 2 474 44 44 LEU N N 119.8280 . 1 475 45 45 GLY H H 7.6870 . 1 476 45 45 GLY HA2 H 4.0910 . 2 477 45 45 GLY HA3 H 4.1280 . 2 478 45 45 GLY CA C 44.5240 . 1 479 45 45 GLY N N 106.9060 . 1 480 46 46 PRO HA H 4.4470 . 1 481 46 46 PRO HB2 H 2.2660 . 2 482 46 46 PRO HB3 H 1.9330 . 2 483 46 46 PRO HG2 H 2.0120 . 1 484 46 46 PRO HG3 H 2.0120 . 1 485 46 46 PRO HD2 H 3.6650 . 2 486 46 46 PRO HD3 H 3.6220 . 2 487 46 46 PRO CA C 63.1100 . 1 488 46 46 PRO CB C 32.4300 . 1 489 46 46 PRO CG C 27.3900 . 1 490 46 46 PRO CD C 49.5830 . 1 491 47 47 ASP H H 8.4460 . 1 492 47 47 ASP HA H 4.5780 . 1 493 47 47 ASP HB2 H 2.6280 . 2 494 47 47 ASP HB3 H 2.7420 . 2 495 47 47 ASP CA C 54.4820 . 1 496 47 47 ASP CB C 41.0030 . 1 497 47 47 ASP N N 121.0600 . 1 498 48 48 GLU H H 8.5770 . 1 499 48 48 GLU HA H 4.2440 . 1 500 48 48 GLU HB2 H 1.9480 . 2 501 48 48 GLU HB3 H 2.0340 . 2 502 48 48 GLU HG2 H 2.2370 . 2 503 48 48 GLU HG3 H 2.2710 . 2 504 48 48 GLU CA C 56.9300 . 1 505 48 48 GLU CB C 30.5470 . 1 506 48 48 GLU CG C 36.3810 . 1 507 48 48 GLU N N 123.3470 . 1 508 49 49 SER H H 8.3990 . 1 509 49 49 SER HA H 4.3490 . 1 510 49 49 SER HB2 H 3.9020 . 2 511 49 49 SER HB3 H 3.9290 . 2 512 49 49 SER CA C 59.3800 . 1 513 49 49 SER CB C 63.4600 . 1 514 49 49 SER N N 116.7510 . 1 515 50 50 LYS H H 8.0580 . 1 516 50 50 LYS HA H 4.4410 . 1 517 50 50 LYS HB2 H 2.2120 . 2 518 50 50 LYS HB3 H 2.1660 . 2 519 50 50 LYS HG2 H 2.3970 . 2 520 50 50 LYS HG3 H 2.4750 . 2 521 50 50 LYS CA C 56.5200 . 1 522 50 50 LYS CB C 30.4550 . 1 523 50 50 LYS CG C 34.3300 . 1 524 50 50 LYS N N 121.9350 . 1 525 51 51 GLN H H 8.2730 . 1 526 51 51 GLN HA H 4.2030 . 1 527 51 51 GLN HB2 H 1.9030 . 2 528 51 51 GLN HB3 H 1.9590 . 2 529 51 51 GLN HG2 H 2.2120 . 1 530 51 51 GLN HG3 H 2.2120 . 1 531 51 51 GLN CA C 57.2090 . 1 532 51 51 GLN CB C 30.7880 . 1 533 51 51 GLN N N 122.1550 . 1 534 52 52 LYS H H 8.2510 . 1 535 52 52 LYS HA H 4.3150 . 1 536 52 52 LYS HB2 H 1.7730 . 2 537 52 52 LYS HB3 H 1.8950 . 2 538 52 52 LYS HG2 H 1.4010 . 2 539 52 52 LYS HG3 H 1.4620 . 2 540 52 52 LYS HD2 H 1.6680 . 1 541 52 52 LYS HD3 H 1.6680 . 1 542 52 52 LYS HE2 H 2.9860 . 1 543 52 52 LYS HE3 H 2.9860 . 1 544 52 52 LYS CA C 56.4800 . 1 545 52 52 LYS CB C 32.9220 . 1 546 52 52 LYS CG C 25.1600 . 1 547 52 52 LYS CD C 29.2000 . 1 548 52 52 LYS CE C 68.1500 . 1 549 52 52 LYS N N 122.7610 . 1 550 53 53 PHE H H 8.1530 . 1 551 53 53 PHE HA H 4.6440 . 1 552 53 53 PHE HB2 H 3.0070 . 2 553 53 53 PHE HB3 H 3.1130 . 2 554 53 53 PHE CA C 57.6400 . 1 555 53 53 PHE CB C 39.5880 . 1 556 53 53 PHE N N 121.3260 . 1 557 54 54 VAL H H 7.9600 . 1 558 54 54 VAL HA H 4.0430 . 1 559 54 54 VAL HB H 1.9810 . 1 560 54 54 VAL HG1 H 0.8760 . 1 561 54 54 VAL HG2 H 0.8910 . 1 562 54 54 VAL CA C 61.9800 . 1 563 54 54 VAL CB C 33.1810 . 1 564 54 54 VAL CG1 C 21.2300 . 2 565 54 54 VAL CG2 C 21.4500 . 2 566 54 54 VAL N N 122.9410 . 1 567 55 55 LEU H H 8.2260 . 1 568 55 55 LEU HA H 4.3130 . 1 569 55 55 LEU HB2 H 1.6020 . 2 570 55 55 LEU HB3 H 1.6580 . 2 571 55 55 LEU HG H 1.6240 . 1 572 55 55 LEU HD1 H 0.8940 . 1 573 55 55 LEU HD2 H 0.9130 . 1 574 55 55 LEU CA C 55.0600 . 1 575 55 55 LEU CB C 42.3150 . 1 576 55 55 LEU CG C 27.3600 . 1 577 55 55 LEU CD1 C 24.2400 . 2 578 55 55 LEU CD2 C 24.1200 . 2 579 55 55 LEU N N 126.7510 . 1 580 56 56 LYS H H 8.3200 . 1 581 56 56 LYS HA H 4.3720 . 1 582 56 56 LYS HB2 H 1.7340 . 2 583 56 56 LYS HB3 H 1.8130 . 2 584 56 56 LYS HG2 H 1.3720 . 2 585 56 56 LYS HG3 H 1.4390 . 2 586 56 56 LYS HD2 H 1.7360 . 1 587 56 56 LYS HD3 H 1.7360 . 1 588 56 56 LYS HE2 H 2.9670 . 1 589 56 56 LYS HE3 H 2.9670 . 1 590 56 56 LYS CA C 55.9120 . 1 591 56 56 LYS CB C 33.1910 . 1 592 56 56 LYS CG C 24.5000 . 1 593 56 56 LYS CD C 29.8000 . 1 594 56 56 LYS CE C 67.9200 . 1 595 56 56 LYS N N 123.6140 . 1 596 57 57 THR H H 7.8920 . 1 597 57 57 THR HA H 4.3490 . 1 598 57 57 THR HB H 2.3580 . 1 599 57 57 THR CA C 58.9600 . 1 600 57 57 THR CB C 70.7400 . 1 601 57 57 THR N N 115.7940 . 1 602 59 59 LYS H H 8.3000 . 1 603 59 59 LYS HA H 4.2270 . 1 604 59 59 LYS HB2 H 1.7560 . 2 605 59 59 LYS HB3 H 1.8030 . 2 606 59 59 LYS HG2 H 1.4600 . 1 607 59 59 LYS HG3 H 1.4600 . 1 608 59 59 LYS HD2 H 1.6810 . 1 609 59 59 LYS HD3 H 1.6810 . 1 610 59 59 LYS HE2 H 2.9820 . 1 611 59 59 LYS HE3 H 2.9820 . 1 612 59 59 LYS CA C 56.5200 . 1 613 59 59 LYS CB C 33.0940 . 1 614 59 59 LYS CG C 25.7500 . 1 615 59 59 LYS CD C 30.3840 . 1 616 59 59 LYS CE C 67.7400 . 1 617 59 59 LYS N N 121.7550 . 1 618 60 60 ALA H H 8.2900 . 1 619 60 60 ALA HA H 4.2780 . 1 620 60 60 ALA HB H 1.3930 . 1 621 60 60 ALA CA C 52.8640 . 1 622 60 60 ALA CB C 18.9800 . 1 623 60 60 ALA N N 125.2630 . 1 624 61 61 LEU H H 8.1440 . 1 625 61 61 LEU HA H 4.2800 . 1 626 61 61 LEU HB2 H 1.6540 . 1 627 61 61 LEU HB3 H 1.6540 . 1 628 61 61 LEU HG H 1.6360 . 1 629 61 61 LEU HD1 H 0.9210 . 1 630 61 61 LEU HD2 H 0.8760 . 1 631 61 61 LEU CA C 55.5850 . 1 632 61 61 LEU CB C 42.2450 . 1 633 61 61 LEU CG C 27.3600 . 1 634 61 61 LEU CD1 C 25.0400 . 2 635 61 61 LEU CD2 C 23.4700 . 2 636 61 61 LEU N N 121.2550 . 1 637 62 62 GLU H H 8.2660 . 1 638 62 62 GLU HA H 4.2760 . 1 639 62 62 GLU HB2 H 2.1130 . 2 640 62 62 GLU HB3 H 1.9580 . 2 641 62 62 GLU HG2 H 2.2420 . 2 642 62 62 GLU HG3 H 2.2870 . 2 643 62 62 GLU CA C 56.9300 . 1 644 62 62 GLU CB C 30.2350 . 1 645 62 62 GLU CG C 36.5330 . 1 646 62 62 GLU N N 121.4010 . 1 647 64 64 LYS H H 8.1060 . 1 648 64 64 LYS HA H 4.2440 . 1 649 64 64 LYS HB2 H 2.0180 . 2 650 64 64 LYS HB3 H 1.9270 . 2 651 64 64 LYS HG2 H 2.3100 . 1 652 64 64 LYS HG3 H 2.3100 . 1 653 64 64 LYS CA C 56.0850 . 1 654 64 64 LYS CB C 29.4700 . 1 655 64 64 LYS CG C 33.8630 . 1 656 64 64 LYS N N 120.5750 . 1 657 65 65 ILE H H 8.1350 . 1 658 65 65 ILE HA H 4.1400 . 1 659 65 65 ILE HB H 1.8590 . 1 660 65 65 ILE HG12 H 1.4840 . 2 661 65 65 ILE HG13 H 1.1990 . 2 662 65 65 ILE HG2 H 0.8490 . 1 663 65 65 ILE HD1 H 0.8980 . 1 664 65 65 ILE CA C 61.1800 . 1 665 65 65 ILE CB C 38.5500 . 1 666 65 65 ILE CG1 C 27.7300 . 1 667 65 65 ILE CG2 C 12.8300 . 1 668 65 65 ILE CD1 C 17.4100 . 1 669 65 65 ILE N N 122.4920 . 1 670 66 66 ARG H H 8.4020 . 1 671 66 66 ARG HA H 4.4680 . 1 672 66 66 ARG HB2 H 1.8000 . 2 673 66 66 ARG HB3 H 1.8940 . 2 674 66 66 ARG HG2 H 1.6290 . 2 675 66 66 ARG HG3 H 1.6930 . 2 676 66 66 ARG HD2 H 3.2150 . 1 677 66 66 ARG HD3 H 3.2150 . 1 678 66 66 ARG CA C 56.0670 . 1 679 66 66 ARG CB C 31.0260 . 1 680 66 66 ARG CG C 27.5200 . 1 681 66 66 ARG CD C 69.3800 . 1 682 66 66 ARG N N 125.7140 . 1 683 67 67 THR H H 8.2810 . 1 684 67 67 THR HA H 4.4450 . 1 685 67 67 THR HB H 4.2770 . 1 686 67 67 THR HG2 H 1.2090 . 1 687 67 67 THR CA C 61.6500 . 1 688 67 67 THR CB C 69.6200 . 1 689 67 67 THR CG2 C 21.3900 . 1 690 67 67 THR N N 115.6220 . 1 691 68 68 THR H H 8.0760 . 1 692 68 68 THR HA H 4.5030 . 1 693 68 68 THR HB H 4.2370 . 1 694 68 68 THR HG2 H 1.1570 . 1 695 68 68 THR CA C 61.0500 . 1 696 68 68 THR CB C 69.2100 . 1 697 68 68 THR CG2 C 21.4600 . 1 698 68 68 THR N N 116.7740 . 1 699 69 69 GLU H H 8.5150 . 1 700 69 69 GLU HA H 4.3760 . 1 701 69 69 GLU HB2 H 1.9300 . 2 702 69 69 GLU HB3 H 2.1340 . 2 703 69 69 GLU HG2 H 2.2890 . 2 704 69 69 GLU HG3 H 2.2400 . 2 705 69 69 GLU CA C 56.4000 . 1 706 69 69 GLU CB C 30.6180 . 1 707 69 69 GLU CG C 36.5020 . 1 708 69 69 GLU N N 124.0480 . 1 709 70 70 THR H H 8.2590 . 1 710 70 70 THR HA H 3.7410 . 1 711 70 70 THR HB H 3.8960 . 1 712 70 70 THR HG2 H 1.1550 . 1 713 70 70 THR CA C 64.6800 . 1 714 70 70 THR CB C 68.7700 . 1 715 70 70 THR CG2 C 20.9200 . 1 716 70 70 THR N N 118.9880 . 1 717 71 71 GLN H H 8.7950 . 1 718 71 71 GLN HA H 4.2940 . 1 719 71 71 GLN HB2 H 2.1130 . 2 720 71 71 GLN HB3 H 1.9180 . 2 721 71 71 GLN HG2 H 2.5600 . 2 722 71 71 GLN HG3 H 2.5010 . 2 723 71 71 GLN CA C 57.4000 . 1 724 71 71 GLN CB C 32.0710 . 1 725 71 71 GLN CG C 35.5140 . 1 726 71 71 GLN N N 125.8580 . 1 727 72 72 VAL H H 7.3250 . 1 728 72 72 VAL HA H 4.8980 . 1 729 72 72 VAL HB H 1.7600 . 1 730 72 72 VAL HG1 H 0.7010 . 1 731 72 72 VAL HG2 H 0.7420 . 1 732 72 72 VAL CA C 58.6200 . 1 733 72 72 VAL CB C 35.4040 . 1 734 72 72 VAL CG1 C 22.6900 . 2 735 72 72 VAL CG2 C 20.8600 . 2 736 72 72 VAL N N 113.5050 . 1 737 73 73 LEU H H 8.1700 . 1 738 73 73 LEU HA H 5.0920 . 1 739 73 73 LEU HB2 H 1.5020 . 2 740 73 73 LEU HB3 H 1.8270 . 2 741 73 73 LEU HD1 H 0.8980 . 1 742 73 73 LEU HD2 H 0.8960 . 1 743 73 73 LEU CA C 52.7400 . 1 744 73 73 LEU CB C 45.0810 . 1 745 73 73 LEU CD1 C 27.1800 . 2 746 73 73 LEU CD2 C 25.8700 . 2 747 73 73 LEU N N 128.7250 . 1 748 74 74 VAL H H 8.9130 . 1 749 74 74 VAL HA H 4.7660 . 1 750 74 74 VAL HB H 1.8740 . 1 751 74 74 VAL HG1 H 0.7980 . 1 752 74 74 VAL HG2 H 0.9810 . 1 753 74 74 VAL CA C 62.0900 . 1 754 74 74 VAL CB C 31.6900 . 1 755 74 74 VAL CG1 C 22.3900 . 2 756 74 74 VAL CG2 C 22.5000 . 2 757 74 74 VAL N N 127.6340 . 1 758 75 75 ALA H H 9.4210 . 1 759 75 75 ALA HA H 4.8070 . 1 760 75 75 ALA HB H 1.1040 . 1 761 75 75 ALA CA C 50.9000 . 1 762 75 75 ALA CB C 23.9200 . 1 763 75 75 ALA N N 132.6020 . 1 764 76 76 SER H H 8.1060 . 1 765 76 76 SER HA H 4.9510 . 1 766 76 76 SER HB2 H 3.6200 . 2 767 76 76 SER HB3 H 3.9580 . 2 768 76 76 SER CA C 56.9400 . 1 769 76 76 SER CB C 65.9600 . 1 770 76 76 SER N N 111.2740 . 1 771 77 77 ALA H H 9.0040 . 1 772 77 77 ALA HA H 4.4610 . 1 773 77 77 ALA HB H 1.4440 . 1 774 77 77 ALA CA C 52.7540 . 1 775 77 77 ALA CB C 19.7400 . 1 776 77 77 ALA N N 125.3930 . 1 777 78 78 GLN H H 7.9850 . 1 778 78 78 GLN HA H 4.4430 . 1 779 78 78 GLN HB2 H 1.4320 . 1 780 78 78 GLN HB3 H 1.4320 . 1 781 78 78 GLN HG2 H 2.1210 . 1 782 78 78 GLN HG3 H 2.1210 . 1 783 78 78 GLN CA C 56.6300 . 1 784 78 78 GLN CB C 30.5530 . 1 785 78 78 GLN N N 116.2900 . 1 786 81 81 LEU HA H 4.5630 . 1 787 81 81 LEU HB2 H 1.7010 . 1 788 81 81 LEU HB3 H 1.7010 . 1 789 81 81 LEU HD1 H 0.8650 . 1 790 81 81 LEU HD2 H 0.8030 . 1 791 81 81 LEU CA C 47.0000 . 1 792 81 81 LEU CB C 41.0210 . 1 793 81 81 LEU CD1 C 26.7400 . 2 794 81 81 LEU CD2 C 23.5900 . 2 795 82 82 LEU HA H 4.7980 . 1 796 83 83 GLU HA H 3.9060 . 1 797 85 85 ARG H H 8.2290 . 1 798 85 85 ARG HA H 3.8710 . 1 799 85 85 ARG HB2 H 2.2740 . 2 800 85 85 ARG HB3 H 1.4930 . 2 801 85 85 ARG HG2 H 1.1830 . 1 802 85 85 ARG HG3 H 1.1830 . 1 803 85 85 ARG HD2 H 2.9640 . 2 804 85 85 ARG HD3 H 3.3750 . 2 805 85 85 ARG CA C 60.6800 . 1 806 85 85 ARG CB C 31.9210 . 1 807 85 85 ARG CG C 29.0700 . 1 808 85 85 ARG CD C 70.5300 . 1 809 85 85 ARG N N 119.9480 . 1 810 86 86 LEU H H 8.4590 . 1 811 86 86 LEU HA H 3.8260 . 1 812 86 86 LEU HB2 H 1.4870 . 2 813 86 86 LEU HB3 H 1.8190 . 2 814 86 86 LEU HG H 1.6180 . 1 815 86 86 LEU HD1 H 0.8600 . 1 816 86 86 LEU HD2 H 0.8430 . 1 817 86 86 LEU CA C 58.1900 . 1 818 86 86 LEU CB C 41.5880 . 1 819 86 86 LEU CG C 27.2700 . 1 820 86 86 LEU CD1 C 24.3700 . 2 821 86 86 LEU CD2 C 25.7500 . 2 822 86 86 LEU N N 120.2270 . 1 823 87 87 LYS H H 7.9450 . 1 824 87 87 LYS HA H 4.0210 . 1 825 87 87 LYS HB2 H 1.6580 . 2 826 87 87 LYS HB3 H 1.8820 . 2 827 87 87 LYS HE2 H 3.2370 . 1 828 87 87 LYS HE3 H 3.2370 . 1 829 87 87 LYS CA C 59.3800 . 1 830 87 87 LYS CB C 32.8980 . 1 831 87 87 LYS CG C 25.0000 . 1 832 87 87 LYS CD C 30.0000 . 1 833 87 87 LYS CE C 69.0000 . 1 834 87 87 LYS N N 120.4700 . 1 835 88 88 LEU H H 7.5470 . 1 836 88 88 LEU HA H 4.2070 . 1 837 88 88 LEU HB2 H 1.4500 . 2 838 88 88 LEU HB3 H 1.8590 . 2 839 88 88 LEU HG H 1.4740 . 1 840 88 88 LEU HD1 H 0.8280 . 1 841 88 88 LEU CA C 57.6800 . 1 842 88 88 LEU CB C 41.2250 . 1 843 88 88 LEU CG C 24.6200 . 1 844 88 88 LEU CD1 C 23.2700 . 2 845 88 88 LEU N N 119.7990 . 1 846 89 89 VAL H H 8.3470 . 1 847 89 89 VAL HA H 3.3180 . 1 848 89 89 VAL HB H 2.1370 . 1 849 89 89 VAL HG1 H 0.9230 . 1 850 89 89 VAL HG2 H 0.8530 . 1 851 89 89 VAL CA C 67.7500 . 1 852 89 89 VAL CB C 31.3780 . 1 853 89 89 VAL CG1 C 25.0600 . 2 854 89 89 VAL CG2 C 21.8100 . 2 855 89 89 VAL N N 118.8280 . 1 856 90 90 SER H H 7.9420 . 1 857 90 90 SER HA H 4.2070 . 1 858 90 90 SER HB2 H 4.0220 . 1 859 90 90 SER HB3 H 4.0220 . 1 860 90 90 SER CA C 62.0000 . 1 861 90 90 SER CB C 62.7700 . 1 862 90 90 SER N N 114.8350 . 1 863 91 91 GLU HA H 4.0430 . 1 864 91 91 GLU HB2 H 2.2410 . 2 865 91 91 GLU HB3 H 2.0070 . 2 866 91 91 GLU HG2 H 2.4850 . 2 867 91 91 GLU HG3 H 2.1900 . 2 868 91 91 GLU CA C 59.4400 . 1 869 91 91 GLU CB C 30.2340 . 1 870 91 91 GLU CG C 36.4270 . 1 871 92 92 LEU H H 8.3790 . 1 872 92 92 LEU HA H 3.9480 . 1 873 92 92 LEU HB2 H 1.8970 . 1 874 92 92 LEU HB3 H 1.8970 . 1 875 92 92 LEU HG H 1.9060 . 1 876 92 92 LEU HD1 H 0.6740 . 1 877 92 92 LEU HD2 H 0.5450 . 1 878 92 92 LEU CA C 58.1200 . 1 879 92 92 LEU CB C 40.5760 . 1 880 92 92 LEU CG C 26.5700 . 1 881 92 92 LEU CD1 C 23.2800 . 2 882 92 92 LEU CD2 C 26.3100 . 2 883 92 92 LEU N N 119.7200 . 1 884 93 93 GLN H H 8.7510 . 1 885 93 93 GLN HA H 4.5530 . 1 886 93 93 GLN HB2 H 2.1630 . 2 887 93 93 GLN HB3 H 2.3380 . 2 888 93 93 GLN HG2 H 2.5980 . 2 889 93 93 GLN HG3 H 2.7500 . 2 890 93 93 GLN CA C 59.0500 . 1 891 93 93 GLN CB C 27.9800 . 1 892 93 93 GLN CG C 34.3970 . 1 893 93 93 GLN N N 120.9380 . 1 894 94 94 ASP H H 8.4700 . 1 895 94 94 ASP HA H 4.4590 . 1 896 94 94 ASP HB2 H 2.6910 . 2 897 94 94 ASP HB3 H 2.8680 . 2 898 94 94 ASP CA C 57.1000 . 1 899 94 94 ASP CB C 40.2610 . 1 900 94 94 ASP N N 122.4420 . 1 901 95 95 ALA H H 7.3400 . 1 902 95 95 ALA HA H 4.5120 . 1 903 95 95 ALA HB H 1.5920 . 1 904 95 95 ALA CA C 51.7450 . 1 905 95 95 ALA CB C 20.0200 . 1 906 95 95 ALA N N 120.4370 . 1 907 96 96 GLY H H 7.9870 . 1 908 96 96 GLY HA2 H 3.7420 . 2 909 96 96 GLY HA3 H 4.1890 . 2 910 96 96 GLY CA C 45.2900 . 1 911 96 96 GLY N N 106.8650 . 1 912 97 97 ILE H H 8.0620 . 1 913 97 97 ILE HA H 4.2540 . 1 914 97 97 ILE HB H 1.7780 . 1 915 97 97 ILE HG12 H 1.2120 . 2 916 97 97 ILE HG13 H 1.3140 . 2 917 97 97 ILE HG2 H 0.7650 . 1 918 97 97 ILE HD1 H 0.8470 . 1 919 97 97 ILE CA C 58.6500 . 1 920 97 97 ILE CB C 37.9730 . 1 921 97 97 ILE CG1 C 28.1400 . 1 922 97 97 ILE CG2 C 18.1900 . 1 923 97 97 ILE CD1 C 13.0700 . 1 924 97 97 ILE N N 122.4890 . 1 925 98 98 LYS H H 8.5740 . 1 926 98 98 LYS HA H 4.5070 . 1 927 98 98 LYS HB2 H 1.9190 . 2 928 98 98 LYS HB3 H 1.9900 . 2 929 98 98 LYS HG2 H 1.4220 . 2 930 98 98 LYS HG3 H 1.5080 . 2 931 98 98 LYS HD2 H 1.6450 . 2 932 98 98 LYS HD3 H 1.5010 . 2 933 98 98 LYS HE2 H 2.9910 . 1 934 98 98 LYS HE3 H 2.9910 . 1 935 98 98 LYS CA C 55.9210 . 1 936 98 98 LYS CB C 31.4340 . 1 937 98 98 LYS CG C 25.3600 . 1 938 98 98 LYS CD C 29.0300 . 1 939 98 98 LYS CE C 68.1500 . 1 940 98 98 LYS N N 127.4590 . 1 941 99 99 ALA H H 7.8130 . 1 942 99 99 ALA HA H 5.7640 . 1 943 99 99 ALA HB H 1.2720 . 1 944 99 99 ALA CA C 49.2110 . 1 945 99 99 ALA CB C 24.8700 . 1 946 99 99 ALA N N 130.4230 . 1 947 100 100 GLU H H 8.2260 . 1 948 100 100 GLU HA H 4.8350 . 1 949 100 100 GLU HB2 H 1.8310 . 2 950 100 100 GLU HB3 H 2.1150 . 2 951 100 100 GLU HG2 H 2.2680 . 1 952 100 100 GLU HG3 H 2.2680 . 1 953 100 100 GLU CA C 54.7060 . 1 954 100 100 GLU CB C 35.9210 . 1 955 100 100 GLU CG C 36.6110 . 1 956 100 100 GLU N N 118.9880 . 1 957 101 101 LEU H H 8.4780 . 1 958 101 101 LEU HA H 4.7140 . 1 959 101 101 LEU HB2 H 1.5270 . 2 960 101 101 LEU HB3 H 1.6190 . 2 961 101 101 LEU HG H 1.4340 . 1 962 101 101 LEU HD1 H 0.6010 . 1 963 101 101 LEU HD2 H 0.7840 . 1 964 101 101 LEU CA C 54.7600 . 1 965 101 101 LEU CB C 44.0840 . 1 966 101 101 LEU CG C 27.3900 . 1 967 101 101 LEU CD1 C 26.3700 . 2 968 101 101 LEU CD2 C 26.5000 . 2 969 101 101 LEU N N 120.0240 . 1 970 102 102 LEU H H 8.7630 . 1 971 102 102 LEU HA H 4.0340 . 1 972 102 102 LEU HB2 H 1.5750 . 2 973 102 102 LEU HB3 H 1.7300 . 2 974 102 102 LEU HG H 1.6060 . 1 975 102 102 LEU HD1 H 0.8720 . 1 976 102 102 LEU HD2 H 0.9260 . 1 977 102 102 LEU CA C 58.4600 . 1 978 102 102 LEU CB C 41.2250 . 1 979 102 102 LEU CG C 27.3700 . 1 980 102 102 LEU CD1 C 23.8900 . 2 981 102 102 LEU CD2 C 23.8900 . 2 982 102 102 LEU N N 118.6230 . 1 983 103 103 TYR H H 7.3780 . 1 984 103 103 TYR HA H 4.5820 . 1 985 103 103 TYR HB2 H 2.8590 . 2 986 103 103 TYR HB3 H 2.9050 . 2 987 103 103 TYR CA C 55.9730 . 1 988 103 103 TYR CB C 38.7320 . 1 989 103 103 TYR N N 115.9700 . 1 990 104 104 LYS H H 7.9060 . 1 991 104 104 LYS HA H 4.1390 . 1 992 104 104 LYS HB2 H 1.8840 . 1 993 104 104 LYS HB3 H 1.8840 . 1 994 104 104 LYS HG2 H 1.5670 . 1 995 104 104 LYS HG3 H 1.5670 . 1 996 104 104 LYS HD2 H 2.0970 . 1 997 104 104 LYS HD3 H 2.0970 . 1 998 104 104 LYS CA C 56.4800 . 1 999 104 104 LYS CB C 32.9220 . 1 1000 104 104 LYS CG C 25.1600 . 1 1001 104 104 LYS CD C 29.2000 . 1 1002 104 104 LYS CE C 68.1500 . 1 1003 104 104 LYS N N 120.5770 . 1 1004 110 110 LEU HA H 4.0290 . 1 1005 112 112 GLN HA H 3.9990 . 1 1006 113 113 LEU H H 8.3650 . 1 1007 113 113 LEU HA H 3.9830 . 1 1008 113 113 LEU HB2 H 1.5980 . 2 1009 113 113 LEU HB3 H 1.9350 . 2 1010 113 113 LEU HG H 1.7820 . 1 1011 113 113 LEU HD1 H 0.8400 . 1 1012 113 113 LEU HD2 H 0.7780 . 1 1013 113 113 LEU CA C 58.4200 . 1 1014 113 113 LEU CB C 40.5930 . 1 1015 113 113 LEU CG C 27.3400 . 1 1016 113 113 LEU CD1 C 24.8700 . 2 1017 113 113 LEU CD2 C 23.0700 . 2 1018 113 113 LEU N N 120.1470 . 1 1019 114 114 GLN H H 8.1260 . 1 1020 114 114 GLN HA H 4.0370 . 1 1021 114 114 GLN HB2 H 2.2050 . 2 1022 114 114 GLN HB3 H 2.1020 . 2 1023 114 114 GLN HG2 H 2.3750 . 2 1024 114 114 GLN HG3 H 2.5200 . 2 1025 114 114 GLN CA C 58.9700 . 1 1026 114 114 GLN CB C 28.1900 . 1 1027 114 114 GLN CG C 33.8990 . 1 1028 114 114 GLN N N 119.9950 . 1 1029 115 115 TYR H H 7.8190 . 1 1030 115 115 TYR HA H 4.2950 . 1 1031 115 115 TYR HB2 H 3.2140 . 1 1032 115 115 TYR HB3 H 3.2140 . 1 1033 115 115 TYR CA C 61.0300 . 1 1034 115 115 TYR CB C 37.7690 . 1 1035 115 115 TYR N N 120.3580 . 1 1036 116 116 CYS H H 7.7100 . 1 1037 116 116 CYS HA H 3.8160 . 1 1038 116 116 CYS HB2 H 3.1880 . 2 1039 116 116 CYS HB3 H 3.0440 . 2 1040 116 116 CYS CA C 64.2300 . 1 1041 116 116 CYS CB C 27.3200 . 1 1042 116 116 CYS N N 116.2640 . 1 1043 117 117 GLU H H 7.9120 . 1 1044 117 117 GLU HA H 3.8480 . 1 1045 117 117 GLU HB2 H 2.1090 . 2 1046 117 117 GLU HB3 H 2.0410 . 2 1047 117 117 GLU HG2 H 2.3420 . 2 1048 117 117 GLU HG3 H 2.1060 . 2 1049 117 117 GLU CA C 59.1500 . 1 1050 117 117 GLU CB C 29.7000 . 1 1051 117 117 GLU CG C 36.6110 . 1 1052 117 117 GLU N N 119.5260 . 1 1053 118 118 GLU H H 7.9880 . 1 1054 118 118 GLU HA H 3.9690 . 1 1055 118 118 GLU HB2 H 1.9890 . 2 1056 118 118 GLU HB3 H 2.0520 . 2 1057 118 118 GLU HG2 H 2.2370 . 2 1058 118 118 GLU HG3 H 2.3860 . 2 1059 118 118 GLU CA C 58.7800 . 1 1060 118 118 GLU CB C 29.8100 . 1 1061 118 118 GLU CG C 36.4680 . 1 1062 118 118 GLU N N 119.8750 . 1 1063 119 119 ALA H H 8.1370 . 1 1064 119 119 ALA HA H 4.1660 . 1 1065 119 119 ALA HB H 1.0030 . 1 1066 119 119 ALA CA C 52.6540 . 1 1067 119 119 ALA CB C 19.0800 . 1 1068 119 119 ALA N N 119.1180 . 1 1069 120 120 GLY H H 7.5500 . 1 1070 120 120 GLY HA2 H 3.7160 . 2 1071 120 120 GLY HA3 H 3.9860 . 2 1072 120 120 GLY CA C 46.3770 . 1 1073 120 120 GLY N N 106.6040 . 1 1074 121 121 ILE H H 7.9180 . 1 1075 121 121 ILE HA H 4.0110 . 1 1076 121 121 ILE HB H 1.4430 . 1 1077 121 121 ILE HG12 H 1.8890 . 2 1078 121 121 ILE HG13 H 2.0880 . 2 1079 121 121 ILE HG2 H 0.9650 . 1 1080 121 121 ILE CA C 63.0500 . 1 1081 121 121 ILE CB C 40.0510 . 1 1082 121 121 ILE CG1 C 37.8000 . 1 1083 121 121 ILE CG2 C 20.8300 . 1 1084 121 121 ILE N N 124.0260 . 1 1085 123 123 LEU H H 6.9730 . 1 1086 123 123 LEU HA H 5.5030 . 1 1087 123 123 LEU HB2 H 1.2370 . 2 1088 123 123 LEU HB3 H 2.1230 . 2 1089 123 123 LEU HG H 1.5840 . 1 1090 123 123 LEU HD1 H 0.9730 . 1 1091 123 123 LEU HD2 H 0.9200 . 1 1092 123 123 LEU CA C 53.6860 . 1 1093 123 123 LEU CB C 47.0570 . 1 1094 123 123 LEU CG C 26.6500 . 1 1095 123 123 LEU CD1 C 24.2900 . 2 1096 123 123 LEU CD2 C 24.1400 . 2 1097 123 123 LEU N N 119.5410 . 1 1098 124 124 VAL H H 8.8230 . 1 1099 124 124 VAL HA H 5.0360 . 1 1100 124 124 VAL HB H 1.8730 . 1 1101 124 124 VAL HG1 H 0.8920 . 1 1102 124 124 VAL HG2 H 0.8090 . 1 1103 124 124 VAL CA C 59.5800 . 1 1104 124 124 VAL CB C 35.2570 . 1 1105 124 124 VAL CG1 C 23.0000 . 2 1106 124 124 VAL CG2 C 22.4800 . 2 1107 124 124 VAL N N 119.5800 . 1 1108 125 125 ALA H H 9.0830 . 1 1109 125 125 ALA HA H 5.1560 . 1 1110 125 125 ALA HB H 1.0430 . 1 1111 125 125 ALA CA C 49.1950 . 1 1112 125 125 ALA CB C 20.0600 . 1 1113 125 125 ALA N N 130.8100 . 1 1114 126 126 ILE H H 9.5640 . 1 1115 126 126 ILE HA H 4.5030 . 1 1116 126 126 ILE HB H 1.7350 . 1 1117 126 126 ILE HG12 H 0.6430 . 2 1118 126 126 ILE HG13 H 1.5000 . 2 1119 126 126 ILE HG2 H 0.7330 . 1 1120 126 126 ILE HD1 H 0.7330 . 1 1121 126 126 ILE CA C 60.9600 . 1 1122 126 126 ILE CB C 39.8050 . 1 1123 126 126 ILE CG1 C 29.0100 . 1 1124 126 126 ILE CG2 C 17.9300 . 1 1125 126 126 ILE CD1 C 14.3900 . 1 1126 126 126 ILE N N 124.9250 . 1 1127 127 127 ILE HA H 4.6430 . 1 1128 127 127 ILE HB H 1.7000 . 1 1129 127 127 ILE HG12 H 1.0630 . 1 1130 127 127 ILE HG13 H 1.0630 . 1 1131 127 127 ILE HG2 H 0.9020 . 1 1132 127 127 ILE HD1 H 0.7850 . 1 1133 127 127 ILE CA C 59.4400 . 1 1134 127 127 ILE CB C 41.0020 . 1 1135 127 127 ILE CG1 C 26.3400 . 1 1136 127 127 ILE CG2 C 17.9300 . 1 1137 127 127 ILE CD1 C 14.9800 . 1 1138 129 129 GLU H H 9.0350 . 1 1139 129 129 GLU HA H 3.9480 . 1 1140 129 129 GLU HB2 H 2.0750 . 1 1141 129 129 GLU HB3 H 2.0750 . 1 1142 129 129 GLU HG2 H 2.2290 . 2 1143 129 129 GLU HG3 H 2.3420 . 2 1144 129 129 GLU CA C 60.4000 . 1 1145 129 129 GLU CB C 30.3020 . 1 1146 129 129 GLU CG C 36.7370 . 1 1147 129 129 GLU N N 121.5470 . 1 1148 130 130 GLN H H 8.9140 . 1 1149 130 130 GLN HA H 3.8770 . 1 1150 130 130 GLN HB2 H 1.9110 . 2 1151 130 130 GLN HB3 H 2.1120 . 2 1152 130 130 GLN HG2 H 2.3590 . 1 1153 130 130 GLN HG3 H 2.3590 . 1 1154 130 130 GLN CA C 58.4200 . 1 1155 130 130 GLN CB C 28.4000 . 1 1156 130 130 GLN CG C 33.4420 . 1 1157 130 130 GLN N N 120.2210 . 1 1158 131 131 GLU H H 8.8710 . 1 1159 131 131 GLU HA H 3.9390 . 1 1160 131 131 GLU HB2 H 2.3450 . 1 1161 131 131 GLU HB3 H 2.3450 . 1 1162 131 131 GLU HG2 H 2.1430 . 2 1163 131 131 GLU HG3 H 2.4660 . 2 1164 131 131 GLU CA C 61.2100 . 1 1165 131 131 GLU CB C 28.1700 . 1 1166 131 131 GLU CG C 37.7940 . 1 1167 131 131 GLU N N 120.6800 . 1 1168 132 132 LEU H H 8.1520 . 1 1169 132 132 LEU HA H 4.3620 . 1 1170 132 132 LEU HB2 H 1.5610 . 2 1171 132 132 LEU HB3 H 1.8820 . 2 1172 132 132 LEU HG H 2.0350 . 1 1173 132 132 LEU HD1 H 0.8720 . 1 1174 132 132 LEU HD2 H 0.8960 . 1 1175 132 132 LEU CA C 56.1160 . 1 1176 132 132 LEU CB C 41.8230 . 1 1177 132 132 LEU CG C 27.3500 . 1 1178 132 132 LEU CD1 C 24.9400 . 2 1179 132 132 LEU N N 118.3030 . 1 1180 133 133 LYS H H 7.6310 . 1 1181 133 133 LYS HA H 4.0810 . 1 1182 133 133 LYS HB2 H 1.9400 . 1 1183 133 133 LYS HB3 H 1.9400 . 1 1184 133 133 LYS HG2 H 1.4460 . 2 1185 133 133 LYS HG3 H 1.5930 . 2 1186 133 133 LYS HD2 H 1.6720 . 1 1187 133 133 LYS HD3 H 1.6720 . 1 1188 133 133 LYS HE2 H 2.9780 . 1 1189 133 133 LYS HE3 H 2.9780 . 1 1190 133 133 LYS CA C 59.5800 . 1 1191 133 133 LYS CB C 32.4720 . 1 1192 133 133 LYS CG C 25.5700 . 1 1193 133 133 LYS CD C 29.1900 . 1 1194 133 133 LYS CE C 67.9200 . 1 1195 133 133 LYS N N 120.9240 . 1 1196 134 134 ASP H H 7.9850 . 1 1197 134 134 ASP HA H 4.6690 . 1 1198 134 134 ASP HB2 H 2.8000 . 2 1199 134 134 ASP HB3 H 2.6820 . 2 1200 134 134 ASP CA C 55.1510 . 1 1201 134 134 ASP CB C 41.3810 . 1 1202 134 134 ASP N N 118.2560 . 1 1203 135 135 GLY H H 8.0190 . 1 1204 135 135 GLY HA2 H 4.1610 . 2 1205 135 135 GLY HA3 H 4.0290 . 2 1206 135 135 GLY CA C 46.5630 . 1 1207 135 135 GLY N N 109.3830 . 1 1208 136 136 VAL H H 8.2290 . 1 1209 136 136 VAL HA H 4.9030 . 1 1210 136 136 VAL HB H 1.8440 . 1 1211 136 136 VAL HG1 H 0.7810 . 1 1212 136 136 VAL HG2 H 0.7440 . 1 1213 136 136 VAL CA C 59.9500 . 1 1214 136 136 VAL CB C 35.8850 . 1 1215 136 136 VAL CG1 C 19.6300 . 2 1216 136 136 VAL CG2 C 21.4400 . 2 1217 136 136 VAL N N 117.1120 . 1 1218 137 137 ILE H H 8.9750 . 1 1219 137 137 ILE HA H 4.1740 . 1 1220 137 137 ILE HB H 1.7170 . 1 1221 137 137 ILE HG12 H 1.3240 . 2 1222 137 137 ILE HG13 H 1.3540 . 2 1223 137 137 ILE HG2 H 0.7450 . 1 1224 137 137 ILE HD1 H 0.8010 . 1 1225 137 137 ILE CA C 58.5600 . 1 1226 137 137 ILE CB C 40.7890 . 1 1227 137 137 ILE CG1 C 28.1500 . 1 1228 137 137 ILE CG2 C 18.1800 . 1 1229 137 137 ILE CD1 C 12.7500 . 1 1230 137 137 ILE N N 121.9710 . 1 1231 138 138 LYS H H 7.7260 . 1 1232 138 138 LYS HA H 4.9240 . 1 1233 138 138 LYS HB2 H 1.6650 . 2 1234 138 138 LYS HB3 H 1.7840 . 2 1235 138 138 LYS HG2 H 1.3040 . 2 1236 138 138 LYS HG3 H 1.2850 . 2 1237 138 138 LYS HD2 H 1.6630 . 1 1238 138 138 LYS HD3 H 1.6630 . 1 1239 138 138 LYS HE2 H 2.8940 . 2 1240 138 138 LYS HE3 H 2.9270 . 2 1241 138 138 LYS CA C 55.7150 . 1 1242 138 138 LYS CB C 33.2170 . 1 1243 138 138 LYS CG C 24.3700 . 1 1244 138 138 LYS CD C 28.4000 . 1 1245 138 138 LYS CE C 67.1900 . 1 1246 138 138 LYS N N 126.6130 . 1 1247 139 139 LEU H H 9.4040 . 1 1248 139 139 LEU HA H 5.2030 . 1 1249 139 139 LEU HB2 H 1.0480 . 2 1250 139 139 LEU HB3 H 1.8880 . 2 1251 139 139 LEU HG H 1.3640 . 1 1252 139 139 LEU HD1 H 0.7060 . 1 1253 139 139 LEU HD2 H 0.7680 . 1 1254 139 139 LEU CA C 53.2900 . 1 1255 139 139 LEU CB C 44.7600 . 1 1256 139 139 LEU CG C 27.2600 . 1 1257 139 139 LEU CD1 C 26.1200 . 2 1258 139 139 LEU CD2 C 24.2800 . 2 1259 139 139 LEU N N 129.1770 . 1 1260 140 140 ARG H H 9.5400 . 1 1261 140 140 ARG HA H 5.2620 . 1 1262 140 140 ARG HB2 H 1.3840 . 2 1263 140 140 ARG HB3 H 1.2130 . 2 1264 140 140 ARG HG2 H 1.5730 . 2 1265 140 140 ARG HG3 H 1.7820 . 2 1266 140 140 ARG HD2 H 2.9280 . 2 1267 140 140 ARG HD3 H 3.0980 . 2 1268 140 140 ARG CA C 53.6850 . 1 1269 140 140 ARG CB C 27.9900 . 1 1270 140 140 ARG CG C 33.9230 . 1 1271 140 140 ARG CD C 69.3700 . 1 1272 140 140 ARG N N 128.2430 . 1 1273 142 142 VAL H H 8.3360 . 1 1274 142 142 VAL HA H 3.5470 . 1 1275 142 142 VAL HB H 2.0270 . 1 1276 142 142 VAL HG1 H 0.9200 . 1 1277 142 142 VAL HG2 H 0.8720 . 1 1278 142 142 VAL CA C 65.9500 . 1 1279 142 142 VAL CB C 32.6880 . 1 1280 142 142 VAL CG1 C 23.5900 . 2 1281 142 142 VAL CG2 C 21.0100 . 2 1282 142 142 VAL N N 129.6700 . 1 1283 143 143 THR H H 8.2480 . 1 1284 143 143 THR HA H 4.1570 . 1 1285 143 143 THR HB H 4.5690 . 1 1286 143 143 THR HG2 H 1.2390 . 1 1287 143 143 THR CA C 69.4000 . 1 1288 143 143 THR CB C 70.0200 . 1 1289 143 143 THR CG2 C 22.4800 . 1 1290 143 143 THR N N 111.0610 . 1 1291 144 144 SER H H 7.8120 . 1 1292 144 144 SER HA H 4.5140 . 1 1293 144 144 SER HB2 H 4.0630 . 2 1294 144 144 SER HB3 H 3.8140 . 2 1295 144 144 SER CA C 58.3700 . 1 1296 144 144 SER CB C 64.5000 . 1 1297 144 144 SER N N 115.1580 . 1 1298 145 145 ARG H H 7.8360 . 1 1299 145 145 ARG HA H 3.8260 . 1 1300 145 145 ARG HB2 H 1.5420 . 1 1301 145 145 ARG HB3 H 1.5420 . 1 1302 145 145 ARG HG2 H 1.9690 . 2 1303 145 145 ARG HG3 H 2.1720 . 2 1304 145 145 ARG HD2 H 3.1620 . 1 1305 145 145 ARG HD3 H 3.1620 . 1 1306 145 145 ARG CA C 58.3000 . 1 1307 145 145 ARG CB C 28.2000 . 1 1308 145 145 ARG CG C 27.5700 . 1 1309 145 145 ARG CD C 69.3600 . 1 1310 145 145 ARG N N 116.5270 . 1 1311 146 146 GLU H H 7.6750 . 1 1312 146 146 GLU HA H 4.2690 . 1 1313 146 146 GLU HB2 H 1.8670 . 2 1314 146 146 GLU HB3 H 1.9430 . 2 1315 146 146 GLU HG2 H 2.1150 . 2 1316 146 146 GLU HG3 H 2.2430 . 2 1317 146 146 GLU CA C 56.9300 . 1 1318 146 146 GLU CB C 31.6380 . 1 1319 146 146 GLU CG C 36.4830 . 1 1320 146 146 GLU N N 119.8890 . 1 1321 147 147 GLU H H 8.6020 . 1 1322 147 147 GLU HA H 5.3190 . 1 1323 147 147 GLU HB2 H 1.7900 . 1 1324 147 147 GLU HB3 H 1.7900 . 1 1325 147 147 GLU HG2 H 1.9300 . 2 1326 147 147 GLU HG3 H 2.0700 . 2 1327 147 147 GLU CA C 54.9350 . 1 1328 147 147 GLU CB C 33.7400 . 1 1329 147 147 GLU CG C 36.9430 . 1 1330 147 147 GLU N N 124.2860 . 1 1331 148 148 VAL H H 8.5360 . 1 1332 148 148 VAL HA H 4.5340 . 1 1333 148 148 VAL HB H 2.0040 . 1 1334 148 148 VAL HG1 H 0.8410 . 1 1335 148 148 VAL HG2 H 0.8600 . 1 1336 148 148 VAL CA C 59.6600 . 1 1337 148 148 VAL CB C 35.6900 . 1 1338 148 148 VAL CG1 C 19.5400 . 2 1339 148 148 VAL CG2 C 21.4300 . 2 1340 148 148 VAL N N 120.5870 . 1 1341 149 149 ASP H H 8.4110 . 1 1342 149 149 ASP HA H 5.1540 . 1 1343 149 149 ASP HB2 H 2.2240 . 2 1344 149 149 ASP HB3 H 2.5630 . 2 1345 149 149 ASP CA C 53.9130 . 1 1346 149 149 ASP CB C 40.7810 . 1 1347 149 149 ASP N N 125.0310 . 1 1348 150 150 VAL H H 9.0610 . 1 1349 150 150 VAL HA H 4.4000 . 1 1350 150 150 VAL HB H 1.9530 . 1 1351 150 150 VAL HG1 H 0.9310 . 1 1352 150 150 VAL HG2 H 0.8370 . 1 1353 150 150 VAL CA C 59.6400 . 1 1354 150 150 VAL CB C 35.0250 . 1 1355 150 150 VAL CG1 C 21.9100 . 2 1356 150 150 VAL CG2 C 21.5200 . 2 1357 150 150 VAL N N 123.2640 . 1 1358 151 151 ARG H H 9.0480 . 1 1359 151 151 ARG HA H 4.4080 . 1 1360 151 151 ARG HB2 H 1.8300 . 2 1361 151 151 ARG HB3 H 2.0800 . 2 1362 151 151 ARG HG2 H 1.7240 . 2 1363 151 151 ARG HG3 H 1.8930 . 2 1364 151 151 ARG HD2 H 3.2470 . 1 1365 151 151 ARG HD3 H 3.2470 . 1 1366 151 151 ARG CA C 57.1100 . 1 1367 151 151 ARG CB C 29.8900 . 1 1368 151 151 ARG CG C 27.7000 . 1 1369 151 151 ARG CD C 68.9400 . 1 1370 151 151 ARG N N 125.1120 . 1 1371 152 152 ARG H H 8.5820 . 1 1372 152 152 ARG HA H 3.6660 . 1 1373 152 152 ARG HB2 H 1.8360 . 2 1374 152 152 ARG HB3 H 1.6740 . 2 1375 152 152 ARG HG2 H 1.4350 . 2 1376 152 152 ARG HG3 H 1.6790 . 2 1377 152 152 ARG HD2 H 3.1780 . 2 1378 152 152 ARG HD3 H 3.1140 . 2 1379 152 152 ARG CA C 60.0300 . 1 1380 152 152 ARG CB C 30.0100 . 1 1381 152 152 ARG CG C 27.8900 . 1 1382 152 152 ARG CD C 68.8300 . 1 1383 152 152 ARG N N 124.8280 . 1 1384 153 153 GLU H H 9.9240 . 1 1385 153 153 GLU HA H 4.2000 . 1 1386 153 153 GLU HB2 H 2.0370 . 2 1387 153 153 GLU HB3 H 2.0120 . 2 1388 153 153 GLU HG2 H 2.3200 . 1 1389 153 153 GLU HG3 H 2.3200 . 1 1390 153 153 GLU CA C 58.9700 . 1 1391 153 153 GLU CB C 28.5800 . 1 1392 153 153 GLU CG C 36.1240 . 1 1393 153 153 GLU N N 116.7300 . 1 1394 154 154 ASP H H 7.7580 . 1 1395 154 154 ASP HA H 5.0180 . 1 1396 154 154 ASP HB2 H 3.0600 . 2 1397 154 154 ASP HB3 H 2.6500 . 2 1398 154 154 ASP CA C 54.3920 . 1 1399 154 154 ASP CB C 42.2900 . 1 1400 154 154 ASP N N 119.3180 . 1 1401 155 155 LEU H H 7.3150 . 1 1402 155 155 LEU HA H 3.8150 . 1 1403 155 155 LEU HB2 H 1.4360 . 2 1404 155 155 LEU HB3 H 1.9880 . 2 1405 155 155 LEU HG H 1.5610 . 1 1406 155 155 LEU HD1 H 0.8410 . 1 1407 155 155 LEU HD2 H 0.9250 . 1 1408 155 155 LEU CA C 59.1700 . 1 1409 155 155 LEU CB C 42.6280 . 1 1410 155 155 LEU CG C 27.5900 . 1 1411 155 155 LEU CD1 C 24.3700 . 2 1412 155 155 LEU CD2 C 21.4300 . 2 1413 155 155 LEU N N 121.8630 . 1 1414 156 156 VAL H H 8.4900 . 1 1415 156 156 VAL HA H 3.2550 . 1 1416 156 156 VAL HB H 2.0870 . 1 1417 156 156 VAL HG1 H 0.9720 . 1 1418 156 156 VAL HG2 H 0.8980 . 1 1419 156 156 VAL CA C 67.6600 . 1 1420 156 156 VAL CB C 31.2300 . 1 1421 156 156 VAL CG1 C 23.9800 . 2 1422 156 156 VAL CG2 C 21.1700 . 2 1423 156 156 VAL N N 118.5550 . 1 1424 157 157 GLU H H 8.1380 . 1 1425 157 157 GLU HA H 3.9100 . 1 1426 157 157 GLU HB2 H 2.0590 . 1 1427 157 157 GLU HB3 H 2.0590 . 1 1428 157 157 GLU HG2 H 2.2840 . 2 1429 157 157 GLU HG3 H 2.3420 . 2 1430 157 157 GLU CA C 59.4200 . 1 1431 157 157 GLU N N 118.5680 . 1 1432 158 158 GLU H H 8.1380 . 1 1433 158 158 GLU HA H 4.1400 . 1 1434 158 158 GLU HB2 H 1.8840 . 2 1435 158 158 GLU HB3 H 1.9770 . 2 1436 158 158 GLU HG2 H 2.1080 . 1 1437 158 158 GLU HG3 H 2.1080 . 1 1438 158 158 GLU CA C 57.2900 . 1 1439 158 158 GLU CB C 29.4740 . 1 1440 158 158 GLU CG C 36.0000 . 1 1441 158 158 GLU N N 118.4840 . 1 1442 159 159 ILE H H 8.4820 . 1 1443 159 159 ILE HA H 3.4280 . 1 1444 159 159 ILE HB H 1.8790 . 1 1445 159 159 ILE HG2 H 0.8830 . 1 1446 159 159 ILE HD1 H 0.7460 . 1 1447 159 159 ILE CA C 65.8900 . 1 1448 159 159 ILE CB C 30.0000 . 1 1449 159 159 ILE CG2 C 17.3800 . 1 1450 159 159 ILE CD1 C 15.3500 . 1 1451 159 159 ILE N N 119.5080 . 1 1452 160 160 LYS H H 8.4240 . 1 1453 160 160 LYS HA H 3.7780 . 1 1454 160 160 LYS HB2 H 1.8140 . 2 1455 160 160 LYS HB3 H 1.8730 . 2 1456 160 160 LYS HG2 H 1.2600 . 2 1457 160 160 LYS HG3 H 1.7090 . 2 1458 160 160 LYS HD2 H 1.6150 . 1 1459 160 160 LYS HD3 H 1.6150 . 1 1460 160 160 LYS HE2 H 2.8710 . 2 1461 160 160 LYS HE3 H 2.7920 . 2 1462 160 160 LYS CA C 60.8500 . 1 1463 160 160 LYS CB C 32.2500 . 1 1464 160 160 LYS CG C 26.7400 . 1 1465 160 160 LYS CD C 29.8000 . 1 1466 160 160 LYS CE C 67.9900 . 1 1467 160 160 LYS N N 121.5130 . 1 1468 161 161 ARG H H 8.2480 . 1 1469 161 161 ARG HA H 4.0690 . 1 1470 161 161 ARG HB2 H 1.6190 . 2 1471 161 161 ARG HB3 H 1.7780 . 2 1472 161 161 ARG HG2 H 1.9720 . 2 1473 161 161 ARG HG3 H 1.6700 . 2 1474 161 161 ARG HD2 H 3.2190 . 1 1475 161 161 ARG HD3 H 3.2190 . 1 1476 161 161 ARG CA C 59.3300 . 1 1477 161 161 ARG CB C 30.8920 . 1 1478 161 161 ARG N N 118.9660 . 1 1479 162 162 ARG H H 7.8110 . 1 1480 162 162 ARG HA H 4.2420 . 1 1481 162 162 ARG HB2 H 1.7450 . 2 1482 162 162 ARG HB3 H 1.8730 . 2 1483 162 162 ARG HG2 H 2.0530 . 2 1484 162 162 ARG HG3 H 1.6200 . 2 1485 162 162 ARG HD2 H 2.8080 . 2 1486 162 162 ARG HD3 H 3.1640 . 2 1487 162 162 ARG CA C 58.0580 . 1 1488 162 162 ARG CB C 31.7900 . 1 1489 162 162 ARG CG C 30.0000 . 1 1490 162 162 ARG CD C 69.5800 . 1 1491 162 162 ARG N N 117.0330 . 1 1492 163 163 THR H H 7.8310 . 1 1493 163 163 THR HA H 4.5490 . 1 1494 163 163 THR HB H 4.5160 . 1 1495 163 163 THR HG2 H 1.2390 . 1 1496 163 163 THR CA C 61.8200 . 1 1497 163 163 THR CB C 70.0200 . 1 1498 163 163 THR CG2 C 21.8700 . 1 1499 163 163 THR N N 108.5880 . 1 1500 164 164 GLY H H 7.8470 . 1 1501 164 164 GLY HA2 H 3.9690 . 2 1502 164 164 GLY HA3 H 4.0280 . 2 1503 164 164 GLY CA C 45.7130 . 1 1504 164 164 GLY N N 110.6400 . 1 1505 165 165 GLN H H 8.1410 . 1 1506 165 165 GLN HA H 3.9420 . 1 1507 165 165 GLN HB2 H 1.8170 . 1 1508 165 165 GLN HB3 H 1.8170 . 1 1509 165 165 GLN HG2 H 2.0470 . 2 1510 165 165 GLN HG3 H 2.3490 . 2 1511 165 165 GLN CA C 56.0770 . 1 1512 165 165 GLN CB C 29.5690 . 1 1513 165 165 GLN CG C 35.0000 . 1 1514 165 165 GLN N N 120.9930 . 1 1515 167 167 LEU H H 8.3700 . 1 1516 167 167 LEU N N 122.5400 . 1 1517 168 168 SER H H 8.2690 . 1 1518 168 168 SER N N 116.6350 . 1 1519 169 169 ILE H H 8.1650 . 1 1520 169 169 ILE N N 122.7670 . 1 1521 170 170 SER H H 7.9270 . 1 1522 170 170 SER N N 125.2860 . 1 stop_ save_