data_18133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone and sidechain of human AK1 from Escherichia coli ; _BMRB_accession_number 18133 _BMRB_flat_file_name bmr18133.str _Entry_type original _Submission_date 2011-12-12 _Accession_date 2011-12-12 _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 Fu Cuiping . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 858 "13C chemical shifts" 777 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-26 update BMRB 'update entry citation' 2012-06-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, 15N backbone and side-chain resonance assignments of the human adenylate kinase 1 in apo form.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22706932 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fu Cuiping . . 2 Peng Yu . . 3 Liao Xinli . . 4 Guo Chenyun . . 5 Lin Donghai . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 158 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AK1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AK1 $AK1 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_AK1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AK1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; GPLGSMEEKLKKTKIIFVVG GPGSGKGTQCEKIVQKYGYT HLSTGDLLRSEVSSGSARGK KLSEIMEKGQLVPLETVLDM LRDAMVAKVNTSKGFLIDGY PREVQQGEEFERRIGQPTLL LYVDAGPETMTQRLLKRGET SGRVDDNEETIKKRLETYYK ATEPVIAFYEKRGIVRKVNA EGSVDSVFSQVCTHLDALK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 GLU 8 GLU 9 LYS 10 LEU 11 LYS 12 LYS 13 THR 14 LYS 15 ILE 16 ILE 17 PHE 18 VAL 19 VAL 20 GLY 21 GLY 22 PRO 23 GLY 24 SER 25 GLY 26 LYS 27 GLY 28 THR 29 GLN 30 CYS 31 GLU 32 LYS 33 ILE 34 VAL 35 GLN 36 LYS 37 TYR 38 GLY 39 TYR 40 THR 41 HIS 42 LEU 43 SER 44 THR 45 GLY 46 ASP 47 LEU 48 LEU 49 ARG 50 SER 51 GLU 52 VAL 53 SER 54 SER 55 GLY 56 SER 57 ALA 58 ARG 59 GLY 60 LYS 61 LYS 62 LEU 63 SER 64 GLU 65 ILE 66 MET 67 GLU 68 LYS 69 GLY 70 GLN 71 LEU 72 VAL 73 PRO 74 LEU 75 GLU 76 THR 77 VAL 78 LEU 79 ASP 80 MET 81 LEU 82 ARG 83 ASP 84 ALA 85 MET 86 VAL 87 ALA 88 LYS 89 VAL 90 ASN 91 THR 92 SER 93 LYS 94 GLY 95 PHE 96 LEU 97 ILE 98 ASP 99 GLY 100 TYR 101 PRO 102 ARG 103 GLU 104 VAL 105 GLN 106 GLN 107 GLY 108 GLU 109 GLU 110 PHE 111 GLU 112 ARG 113 ARG 114 ILE 115 GLY 116 GLN 117 PRO 118 THR 119 LEU 120 LEU 121 LEU 122 TYR 123 VAL 124 ASP 125 ALA 126 GLY 127 PRO 128 GLU 129 THR 130 MET 131 THR 132 GLN 133 ARG 134 LEU 135 LEU 136 LYS 137 ARG 138 GLY 139 GLU 140 THR 141 SER 142 GLY 143 ARG 144 VAL 145 ASP 146 ASP 147 ASN 148 GLU 149 GLU 150 THR 151 ILE 152 LYS 153 LYS 154 ARG 155 LEU 156 GLU 157 THR 158 TYR 159 TYR 160 LYS 161 ALA 162 THR 163 GLU 164 PRO 165 VAL 166 ILE 167 ALA 168 PHE 169 TYR 170 GLU 171 LYS 172 ARG 173 GLY 174 ILE 175 VAL 176 ARG 177 LYS 178 VAL 179 ASN 180 ALA 181 GLU 182 GLY 183 SER 184 VAL 185 ASP 186 SER 187 VAL 188 PHE 189 SER 190 GLN 191 VAL 192 CYS 193 THR 194 HIS 195 LEU 196 ASP 197 ALA 198 LEU 199 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1Z83 "Crystal Structure Of Human Ak1a In Complex With Ap5a" 97.49 196 99.48 99.48 5.57e-136 PDB 2C95 "Structure Of Adenylate Kinase 1 In Complex With P1,P4-Di (Adenosine)tetraphosphate" 97.49 196 99.48 99.48 5.57e-136 DBJ BAA78534 "adenylate kinase 1 [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 DBJ BAD97221 "adenylate kinase 1 variant [Homo sapiens]" 97.49 194 99.48 99.48 4.89e-135 DBJ BAE88118 "unnamed protein product [Macaca fascicularis]" 97.49 194 97.42 98.97 4.44e-132 DBJ BAG36497 "unnamed protein product [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 DBJ BAJ20282 "adenylate kinase 1 [synthetic construct]" 97.49 194 99.48 99.48 1.22e-135 EMBL CAG46775 "AK1 [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 EMBL CAG46801 "AK1 [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 EMBL CAH89771 "hypothetical protein [Pongo abelii]" 67.34 134 97.76 100.00 4.92e-89 GB AAA51686 "adenylate kinase [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 GB AAH01116 "Adenylate kinase 1 [Homo sapiens]" 97.49 194 99.48 99.48 1.22e-135 GB AAI00023 "Adenylate kinase 1 [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 GB AAI14797 "Adenylate kinase 1 [Bos taurus]" 97.49 194 96.91 98.97 1.81e-132 GB AAQ02450 "adenylate kinase 1, partial [synthetic construct]" 96.98 195 99.48 99.48 5.35e-135 REF NP_000467 "adenylate kinase isoenzyme 1 [Homo sapiens]" 97.49 194 100.00 100.00 2.44e-136 REF NP_001013600 "adenylate kinase isoenzyme 1 [Bos taurus]" 97.49 194 96.91 98.97 1.81e-132 REF NP_001124519 "adenylate kinase isoenzyme 1 [Canis lupus familiaris]" 96.48 210 97.92 99.48 4.17e-132 REF NP_001124810 "adenylate kinase isoenzyme 1 [Pongo abelii]" 67.34 134 97.76 100.00 4.92e-89 REF NP_001155354 "adenylate kinase isoenzyme 1 [Ovis aries]" 97.49 194 97.42 99.48 6.00e-133 SP P00568 "RecName: Full=Adenylate kinase isoenzyme 1; Short=AK 1; AltName: Full=ATP-AMP transphosphorylase 1; AltName: Full=ATP:AMP phosp" 97.49 194 100.00 100.00 2.44e-136 SP P00570 "RecName: Full=Adenylate kinase isoenzyme 1; Short=AK 1; AltName: Full=ATP-AMP transphosphorylase 1; AltName: Full=ATP:AMP phosp" 97.49 194 96.91 98.97 1.81e-132 TPG DAA24273 "TPA: adenylate kinase 1 [Bos taurus]" 97.49 194 96.91 98.97 1.81e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AK1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $AK1 'recombinant technology' . Escherichia coli . PGEX-6p-1 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 $AK1 1.0 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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_ ############################# # 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_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 160 . mM pH 6.21 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D HNCA' '3D HBHA(CO)NH' '3D 1H-15N TOCSY' '3D HNCO' '3D HNCACB' 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 AK1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.504 0.008 1 2 2 2 PRO HB2 H 2.354 0.009 2 3 2 2 PRO HB3 H 1.986 0.002 2 4 2 2 PRO CA C 64.401 0.058 1 5 2 2 PRO CB C 33.498 0.028 1 6 2 2 PRO CG C 28.197 0.044 1 7 2 2 PRO CD C 50.858 0.047 1 8 3 3 LEU H H 8.580 0.000 1 9 3 3 LEU HA H 4.381 0.020 1 10 3 3 LEU HB2 H 1.727 0.018 2 11 3 3 LEU HB3 H 1.734 0.000 2 12 3 3 LEU CA C 56.544 0.052 1 13 3 3 LEU CB C 43.472 0.063 1 14 3 3 LEU CD1 C 25.696 0.070 2 15 3 3 LEU CD2 C 24.575 0.051 2 16 4 4 GLY H H 8.637 0.000 1 17 4 4 GLY HA2 H 3.312 0.000 2 18 4 4 GLY C C 175.777 0.000 1 19 4 4 GLY CA C 46.643 0.050 1 20 4 4 GLY N N 110.840 0.000 1 21 5 5 SER H H 8.307 0.005 1 22 5 5 SER HA H 4.476 0.014 1 23 5 5 SER HB2 H 4.071 0.011 2 24 5 5 SER HB3 H 3.966 0.000 2 25 5 5 SER HG H 4.762 0.001 1 26 5 5 SER C C 177.120 0.036 1 27 5 5 SER CA C 60.023 0.047 1 28 5 5 SER CB C 65.180 0.098 1 29 5 5 SER N N 116.643 0.028 1 30 6 6 MET H H 8.713 0.007 1 31 6 6 MET HA H 4.432 0.008 1 32 6 6 MET HB2 H 2.179 0.015 2 33 6 6 MET HB3 H 2.013 0.004 2 34 6 6 MET HG2 H 2.648 0.013 2 35 6 6 MET C C 178.629 0.034 1 36 6 6 MET CA C 58.418 0.041 1 37 6 6 MET CB C 33.091 0.108 1 38 6 6 MET CG C 35.958 0.000 1 39 6 6 MET N N 123.006 0.039 1 40 7 7 GLU H H 8.480 0.005 1 41 7 7 GLU HA H 3.947 0.004 1 42 7 7 GLU HB2 H 2.270 0.013 2 43 7 7 GLU HB3 H 2.062 0.018 2 44 7 7 GLU C C 179.926 0.037 1 45 7 7 GLU CA C 60.718 0.081 1 46 7 7 GLU CB C 30.530 0.132 1 47 7 7 GLU CG C 37.865 0.164 1 48 7 7 GLU N N 120.202 0.058 1 49 8 8 GLU H H 8.018 0.004 1 50 8 8 GLU HA H 4.045 0.005 1 51 8 8 GLU HB2 H 2.094 0.038 2 52 8 8 GLU HG2 H 2.295 0.026 2 53 8 8 GLU C C 179.932 0.000 1 54 8 8 GLU CA C 59.974 0.013 1 55 8 8 GLU CB C 30.686 0.070 1 56 8 8 GLU CG C 37.591 0.048 1 57 8 8 GLU N N 120.432 0.032 1 58 9 9 LYS H H 7.956 0.006 1 59 9 9 LYS HA H 4.024 0.002 1 60 9 9 LYS HB2 H 1.917 0.026 2 61 9 9 LYS HB3 H 1.730 0.010 2 62 9 9 LYS HD2 H 1.671 0.000 2 63 9 9 LYS HD3 H 1.470 0.000 2 64 9 9 LYS HE2 H 3.021 0.009 2 65 9 9 LYS C C 180.851 0.057 1 66 9 9 LYS CA C 60.282 0.028 1 67 9 9 LYS CB C 34.124 0.114 1 68 9 9 LYS CG C 26.575 0.047 1 69 9 9 LYS CD C 30.348 0.067 1 70 9 9 LYS CE C 43.341 0.045 1 71 9 9 LYS N N 119.764 0.051 1 72 10 10 LEU H H 8.154 0.007 1 73 10 10 LEU HA H 4.086 0.011 1 74 10 10 LEU HB2 H 1.805 0.018 2 75 10 10 LEU HB3 H 1.519 0.019 2 76 10 10 LEU HD1 H 0.774 0.000 2 77 10 10 LEU C C 179.033 0.000 1 78 10 10 LEU CA C 58.188 0.045 1 79 10 10 LEU CB C 42.791 0.095 1 80 10 10 LEU CG C 27.354 0.016 1 81 10 10 LEU CD1 C 26.128 0.153 2 82 10 10 LEU CD2 C 24.404 0.058 2 83 10 10 LEU N N 119.915 0.050 1 84 11 11 LYS H H 7.409 0.006 1 85 11 11 LYS HA H 4.223 0.004 1 86 11 11 LYS HB2 H 1.996 0.030 2 87 11 11 LYS HB3 H 1.745 0.009 2 88 11 11 LYS HE2 H 2.995 0.004 2 89 11 11 LYS C C 178.540 0.038 1 90 11 11 LYS CA C 59.575 0.098 1 91 11 11 LYS CB C 33.618 0.132 1 92 11 11 LYS CG C 26.647 0.100 1 93 11 11 LYS CD C 30.255 0.000 1 94 11 11 LYS CE C 43.298 0.071 1 95 11 11 LYS N N 116.754 0.078 1 96 12 12 LYS H H 7.483 0.004 1 97 12 12 LYS HA H 4.514 0.011 1 98 12 12 LYS HB2 H 2.079 0.018 2 99 12 12 LYS HB3 H 1.800 0.033 2 100 12 12 LYS HG2 H 1.259 0.005 2 101 12 12 LYS HD2 H 1.515 0.000 2 102 12 12 LYS HE2 H 3.026 0.002 2 103 12 12 LYS C C 177.474 0.031 1 104 12 12 LYS CA C 56.705 0.063 1 105 12 12 LYS CB C 34.372 0.116 1 106 12 12 LYS CG C 26.196 0.072 1 107 12 12 LYS CD C 30.162 0.034 1 108 12 12 LYS CE C 43.145 0.099 1 109 12 12 LYS N N 117.087 0.064 1 110 13 13 THR H H 7.301 0.006 1 111 13 13 THR HA H 4.413 0.015 1 112 13 13 THR HB H 4.106 0.020 1 113 13 13 THR HG1 H 5.328 0.000 1 114 13 13 THR HG2 H 1.302 0.005 1 115 13 13 THR C C 174.560 0.022 1 116 13 13 THR CA C 63.077 0.058 1 117 13 13 THR CB C 70.776 0.046 1 118 13 13 THR CG2 C 21.790 0.075 1 119 13 13 THR N N 116.879 0.071 1 120 14 14 LYS H H 8.198 0.004 1 121 14 14 LYS HA H 4.384 0.022 1 122 14 14 LYS HB2 H 1.766 0.011 2 123 14 14 LYS HB3 H 1.522 0.020 2 124 14 14 LYS HG2 H 1.278 0.007 2 125 14 14 LYS HE2 H 3.082 0.009 2 126 14 14 LYS C C 176.321 0.020 1 127 14 14 LYS CA C 57.623 0.054 1 128 14 14 LYS CB C 34.768 0.072 1 129 14 14 LYS CG C 26.565 0.000 1 130 14 14 LYS CD C 30.395 0.000 1 131 14 14 LYS CE C 43.456 0.140 1 132 14 14 LYS N N 124.613 0.040 1 133 15 15 ILE H H 8.536 0.004 1 134 15 15 ILE HA H 4.525 0.021 1 135 15 15 ILE HB H 1.707 0.011 1 136 15 15 ILE HG12 H 1.494 0.000 2 137 15 15 ILE HG13 H 0.846 0.000 2 138 15 15 ILE HG2 H 0.679 0.004 1 139 15 15 ILE HD1 H 0.437 0.000 1 140 15 15 ILE CA C 62.379 0.001 1 141 15 15 ILE CB C 42.393 0.078 1 142 15 15 ILE CG1 C 29.222 0.000 1 143 15 15 ILE CG2 C 19.003 0.076 1 144 15 15 ILE CD1 C 14.639 0.000 1 145 15 15 ILE N N 124.524 0.111 1 146 16 16 ILE H H 9.205 0.119 1 147 16 16 ILE HA H 4.825 0.018 1 148 16 16 ILE HB H 1.961 0.023 1 149 16 16 ILE HG12 H 1.237 0.009 2 150 16 16 ILE HG13 H 0.994 0.000 2 151 16 16 ILE HG2 H 0.675 0.011 1 152 16 16 ILE HD1 H 0.464 0.007 1 153 16 16 ILE C C 177.179 0.000 1 154 16 16 ILE CA C 59.866 0.031 1 155 16 16 ILE CB C 41.046 0.115 1 156 16 16 ILE CG1 C 28.782 0.008 1 157 16 16 ILE CG2 C 18.819 0.043 1 158 16 16 ILE CD1 C 14.475 0.032 1 159 16 16 ILE N N 129.448 0.070 1 160 17 17 PHE H H 8.339 0.003 1 161 17 17 PHE HA H 5.526 0.021 1 162 17 17 PHE HB2 H 3.617 0.004 2 163 17 17 PHE HB3 H 2.837 0.033 2 164 17 17 PHE HD1 H 6.588 0.000 3 165 17 17 PHE HE1 H 7.265 0.000 3 166 17 17 PHE C C 176.451 0.000 1 167 17 17 PHE CA C 54.507 0.055 1 168 17 17 PHE CB C 40.425 0.068 1 169 17 17 PHE N N 127.675 0.082 1 170 18 18 VAL H H 8.826 0.006 1 171 18 18 VAL HA H 5.007 0.006 1 172 18 18 VAL HB H 1.990 0.011 1 173 18 18 VAL HG1 H 0.931 0.012 2 174 18 18 VAL C C 175.072 0.076 1 175 18 18 VAL CA C 62.961 0.047 1 176 18 18 VAL CB C 34.414 0.074 1 177 18 18 VAL CG1 C 22.693 0.000 2 178 18 18 VAL N N 124.803 0.043 1 179 19 19 VAL H H 9.034 0.005 1 180 19 19 VAL HA H 4.539 0.011 1 181 19 19 VAL HB H 1.967 0.021 1 182 19 19 VAL HG1 H 0.952 0.021 2 183 19 19 VAL HG2 H 0.784 0.020 2 184 19 19 VAL C C 175.191 0.000 1 185 19 19 VAL CA C 61.441 0.050 1 186 19 19 VAL CB C 36.961 0.053 1 187 19 19 VAL CG1 C 23.174 0.026 2 188 19 19 VAL CG2 C 22.297 0.027 2 189 19 19 VAL N N 128.181 0.093 1 190 20 20 GLY H H 8.222 0.004 1 191 20 20 GLY HA2 H 4.399 0.015 2 192 20 20 GLY HA3 H 4.125 0.008 2 193 20 20 GLY C C 174.397 0.011 1 194 20 20 GLY CA C 47.607 0.056 1 195 20 20 GLY N N 113.413 0.120 1 196 21 21 GLY H H 9.317 0.004 1 197 21 21 GLY HA2 H 4.760 0.000 2 198 21 21 GLY C C 172.662 0.000 1 199 21 21 GLY CA C 44.757 0.000 1 200 21 21 GLY N N 110.947 0.139 1 201 22 22 PRO HA H 4.413 0.001 1 202 22 22 PRO HD2 H 3.747 0.000 2 203 22 22 PRO C C 176.121 0.000 1 204 22 22 PRO CA C 64.357 0.000 1 205 22 22 PRO CB C 31.853 0.066 1 206 22 22 PRO CG C 28.235 0.000 1 207 22 22 PRO CD C 50.122 0.000 1 208 23 23 GLY H H 8.725 0.004 1 209 23 23 GLY HA2 H 4.177 0.022 2 210 23 23 GLY HA3 H 3.511 0.014 2 211 23 23 GLY C C 176.397 0.061 1 212 23 23 GLY CA C 46.431 0.035 1 213 23 23 GLY N N 110.161 0.028 1 214 24 24 SER H H 8.318 0.004 1 215 24 24 SER HA H 3.622 0.012 1 216 24 24 SER HB2 H 3.593 0.007 2 217 24 24 SER HG H 5.067 0.002 1 218 24 24 SER C C 176.038 0.004 1 219 24 24 SER CA C 61.971 0.047 1 220 24 24 SER CB C 65.803 0.066 1 221 24 24 SER N N 115.657 0.065 1 222 25 25 GLY H H 9.049 0.003 1 223 25 25 GLY C C 177.553 0.000 1 224 25 25 GLY CA C 46.435 0.000 1 225 25 25 GLY N N 110.177 0.029 1 226 26 26 LYS HA H 3.742 0.027 1 227 26 26 LYS HB2 H 1.716 0.025 2 228 26 26 LYS HB3 H 1.384 0.013 2 229 26 26 LYS HG2 H 1.664 0.004 2 230 26 26 LYS HE2 H 3.135 0.015 2 231 26 26 LYS C C 178.479 0.000 1 232 26 26 LYS CA C 61.282 0.101 1 233 26 26 LYS CB C 32.424 0.018 1 234 26 26 LYS CG C 24.022 0.000 1 235 26 26 LYS CD C 30.257 0.000 1 236 26 26 LYS CE C 42.625 0.000 1 237 27 27 GLY H H 9.013 0.007 1 238 27 27 GLY HA2 H 4.019 0.016 2 239 27 27 GLY HA3 H 3.833 0.023 2 240 27 27 GLY C C 177.965 0.043 1 241 27 27 GLY CA C 49.082 0.081 1 242 27 27 GLY N N 112.898 0.028 1 243 28 28 THR H H 8.069 0.006 1 244 28 28 THR HA H 3.958 0.020 1 245 28 28 THR HB H 3.914 0.000 1 246 28 28 THR HG1 H 4.385 0.000 1 247 28 28 THR HG2 H 1.139 0.000 1 248 28 28 THR C C 177.964 0.034 1 249 28 28 THR CA C 67.530 0.150 1 250 28 28 THR CB C 69.969 0.022 1 251 28 28 THR CG2 C 23.104 0.004 1 252 28 28 THR N N 120.817 0.059 1 253 29 29 GLN H H 7.601 0.009 1 254 29 29 GLN HA H 3.877 0.021 1 255 29 29 GLN HB2 H 1.997 0.000 2 256 29 29 GLN HB3 H 1.711 0.000 2 257 29 29 GLN HG2 H 2.771 0.003 2 258 29 29 GLN HG3 H 2.529 0.000 2 259 29 29 GLN HE21 H 6.046 0.000 2 260 29 29 GLN C C 179.636 0.051 1 261 29 29 GLN CA C 59.507 0.032 1 262 29 29 GLN CB C 27.984 0.000 1 263 29 29 GLN CG C 33.834 0.000 1 264 29 29 GLN N N 118.232 0.069 1 265 30 30 CYS H H 8.477 0.003 1 266 30 30 CYS HB2 H 3.025 0.002 2 267 30 30 CYS C C 177.202 0.025 1 268 30 30 CYS CA C 66.115 0.000 1 269 30 30 CYS CB C 26.848 0.060 1 270 30 30 CYS N N 116.537 0.064 1 271 31 31 GLU H H 7.519 0.002 1 272 31 31 GLU HA H 3.926 0.007 1 273 31 31 GLU HB3 H 2.122 0.030 2 274 31 31 GLU HG2 H 2.391 0.013 2 275 31 31 GLU HG3 H 2.231 0.008 2 276 31 31 GLU C C 180.278 0.018 1 277 31 31 GLU CA C 60.662 0.046 1 278 31 31 GLU CB C 30.475 0.000 1 279 31 31 GLU CG C 37.466 0.000 1 280 31 31 GLU N N 119.279 0.079 1 281 32 32 LYS H H 7.671 0.001 1 282 32 32 LYS HA H 3.730 0.018 1 283 32 32 LYS HG2 H 1.204 0.000 2 284 32 32 LYS C C 180.766 0.000 1 285 32 32 LYS N N 120.210 0.028 1 286 33 33 ILE H H 8.297 0.007 1 287 33 33 ILE HA H 3.912 0.014 1 288 33 33 ILE HG12 H 1.136 0.000 2 289 33 33 ILE HG13 H 0.980 0.000 2 290 33 33 ILE HD1 H 0.816 0.007 1 291 33 33 ILE CA C 61.355 0.015 1 292 33 33 ILE CB C 34.428 0.113 1 293 34 34 VAL H H 8.177 0.006 1 294 34 34 VAL HA H 3.451 0.012 1 295 34 34 VAL HB H 2.348 0.020 1 296 34 34 VAL HG1 H 1.171 0.020 2 297 34 34 VAL HG2 H 0.953 0.000 2 298 34 34 VAL C C 180.230 0.000 1 299 34 34 VAL CA C 68.810 0.059 1 300 34 34 VAL CB C 33.002 0.048 1 301 34 34 VAL CG1 C 23.995 0.000 2 302 34 34 VAL CG2 C 21.724 0.000 2 303 34 34 VAL N N 115.491 0.057 1 304 35 35 GLN H H 7.620 0.012 1 305 35 35 GLN HA H 3.965 0.013 1 306 35 35 GLN HB2 H 2.070 0.004 2 307 35 35 GLN HG2 H 2.471 0.018 2 308 35 35 GLN C C 178.138 0.031 1 309 35 35 GLN CA C 59.934 0.068 1 310 35 35 GLN CB C 29.897 0.011 1 311 35 35 GLN CG C 34.755 0.035 1 312 35 35 GLN N N 118.025 0.016 1 313 36 36 LYS H H 7.742 0.011 1 314 36 36 LYS HA H 4.150 0.010 1 315 36 36 LYS HB2 H 1.735 0.029 2 316 36 36 LYS HE2 H 2.984 0.000 2 317 36 36 LYS C C 178.428 0.063 1 318 36 36 LYS CA C 59.988 0.139 1 319 36 36 LYS CB C 35.329 0.032 1 320 36 36 LYS CD C 26.215 0.000 1 321 36 36 LYS CE C 43.669 0.000 1 322 36 36 LYS N N 117.538 0.028 1 323 37 37 TYR H H 8.791 0.006 1 324 37 37 TYR HA H 4.267 0.012 1 325 37 37 TYR HB2 H 2.527 0.003 2 326 37 37 TYR HB3 H 2.282 0.012 2 327 37 37 TYR HD1 H 7.237 0.001 3 328 37 37 TYR HE1 H 6.855 0.000 3 329 37 37 TYR C C 178.494 0.000 1 330 37 37 TYR CA C 60.492 0.087 1 331 37 37 TYR CB C 40.437 0.058 1 332 37 37 TYR N N 114.524 0.028 1 333 38 38 GLY H H 7.940 0.005 1 334 38 38 GLY HA2 H 4.027 0.000 1 335 38 38 GLY HA3 H 4.027 0.000 1 336 38 38 GLY C C 176.579 0.007 1 337 38 38 GLY CA C 47.671 0.091 1 338 38 38 GLY N N 106.983 0.022 1 339 39 39 TYR H H 6.093 0.006 1 340 39 39 TYR HA H 4.585 0.002 1 341 39 39 TYR HB2 H 2.757 0.007 2 342 39 39 TYR HB3 H 2.333 0.023 2 343 39 39 TYR HD1 H 6.511 0.002 3 344 39 39 TYR C C 175.287 0.018 1 345 39 39 TYR CA C 57.170 0.052 1 346 39 39 TYR CB C 40.818 0.057 1 347 39 39 TYR N N 118.178 0.046 1 348 40 40 THR H H 8.723 0.012 1 349 40 40 THR HA H 4.414 0.004 1 350 40 40 THR HB H 3.899 0.001 1 351 40 40 THR HG1 H 1.325 0.006 1 352 40 40 THR HG2 H 0.814 0.000 1 353 40 40 THR C C 174.730 0.000 1 354 40 40 THR CA C 63.994 0.058 1 355 40 40 THR CB C 71.352 0.000 1 356 40 40 THR CG2 C 23.421 0.000 1 357 40 40 THR N N 117.641 0.028 1 358 41 41 HIS H H 9.490 0.004 1 359 41 41 HIS HA H 5.211 0.010 1 360 41 41 HIS HB2 H 4.511 0.000 2 361 41 41 HIS C C 175.405 0.059 1 362 41 41 HIS CA C 55.580 0.079 1 363 41 41 HIS CB C 32.574 0.081 1 364 41 41 HIS N N 130.563 0.024 1 365 42 42 LEU H H 9.246 0.005 1 366 42 42 LEU HA H 4.943 0.008 1 367 42 42 LEU HB2 H 1.767 0.000 2 368 42 42 LEU HB3 H 1.486 0.007 2 369 42 42 LEU HD1 H 0.873 0.009 2 370 42 42 LEU C C 175.515 0.000 1 371 42 42 LEU CA C 54.550 0.025 1 372 42 42 LEU CB C 46.126 0.051 1 373 42 42 LEU CG C 28.292 0.000 1 374 42 42 LEU CD1 C 25.492 0.000 2 375 42 42 LEU N N 129.354 0.040 1 376 43 43 SER H H 8.137 0.005 1 377 43 43 SER HA H 4.991 0.011 1 378 43 43 SER HB2 H 4.474 0.000 2 379 43 43 SER HB3 H 3.931 0.010 2 380 43 43 SER C C 176.772 0.000 1 381 43 43 SER CA C 56.987 0.061 1 382 43 43 SER CB C 66.436 0.065 1 383 43 43 SER N N 116.180 0.025 1 384 44 44 THR H H 9.571 0.005 1 385 44 44 THR HA H 3.789 0.020 1 386 44 44 THR HB H 3.769 0.010 1 387 44 44 THR HG1 H 4.167 0.005 1 388 44 44 THR HG2 H 1.119 0.014 1 389 44 44 THR C C 178.127 0.000 1 390 44 44 THR CA C 67.912 0.139 1 391 44 44 THR CG2 C 23.841 0.101 1 392 44 44 THR N N 120.201 0.032 1 393 45 45 GLY H H 8.673 0.001 1 394 45 45 GLY HA2 H 3.909 0.031 2 395 45 45 GLY C C 177.584 0.047 1 396 45 45 GLY CA C 48.509 0.034 1 397 45 45 GLY N N 110.536 0.041 1 398 46 46 ASP H H 7.438 0.001 1 399 46 46 ASP HA H 4.456 0.022 1 400 46 46 ASP HB2 H 2.742 0.015 2 401 46 46 ASP C C 180.132 0.036 1 402 46 46 ASP CA C 58.355 0.069 1 403 46 46 ASP CB C 41.913 0.017 1 404 46 46 ASP N N 122.698 0.024 1 405 47 47 LEU H H 8.085 0.022 1 406 47 47 LEU HA H 4.096 0.001 1 407 47 47 LEU HB2 H 1.900 0.016 2 408 47 47 LEU HG H 1.961 0.020 1 409 47 47 LEU HD1 H 0.872 0.011 2 410 47 47 LEU C C 180.560 0.084 1 411 47 47 LEU CA C 58.999 0.087 1 412 47 47 LEU CB C 42.614 0.073 1 413 47 47 LEU CG C 27.497 0.139 1 414 47 47 LEU CD1 C 24.280 0.035 2 415 47 47 LEU N N 121.789 0.047 1 416 48 48 LEU H H 8.209 0.005 1 417 48 48 LEU HA H 3.921 0.008 1 418 48 48 LEU HB2 H 1.761 0.000 2 419 48 48 LEU HB3 H 1.648 0.038 2 420 48 48 LEU HD1 H 0.939 0.022 2 421 48 48 LEU HD2 H 0.961 0.000 2 422 48 48 LEU C C 179.260 0.060 1 423 48 48 LEU CA C 59.968 0.015 1 424 48 48 LEU CB C 43.333 0.111 1 425 48 48 LEU CG C 28.398 0.119 1 426 48 48 LEU CD1 C 26.243 0.116 2 427 48 48 LEU CD2 C 24.625 0.000 2 428 48 48 LEU N N 120.957 0.045 1 429 49 49 ARG H H 7.778 0.009 1 430 49 49 ARG HA H 3.937 0.006 1 431 49 49 ARG HB2 H 1.968 0.025 2 432 49 49 ARG HD2 H 3.229 0.016 2 433 49 49 ARG C C 180.823 0.072 1 434 49 49 ARG CA C 61.016 0.095 1 435 49 49 ARG CB C 31.341 0.028 1 436 49 49 ARG CG C 29.069 0.009 1 437 49 49 ARG CD C 44.328 0.069 1 438 49 49 ARG N N 118.540 0.031 1 439 50 50 SER H H 8.388 0.005 1 440 50 50 SER HA H 4.208 0.014 1 441 50 50 SER HB2 H 3.994 0.010 2 442 50 50 SER C C 178.067 0.000 1 443 50 50 SER CA C 62.714 0.159 1 444 50 50 SER CB C 63.909 0.104 1 445 50 50 SER N N 116.000 0.035 1 446 51 51 GLU H H 8.305 0.005 1 447 51 51 GLU HA H 4.036 0.007 1 448 51 51 GLU HB3 H 1.626 0.000 2 449 51 51 GLU C C 181.999 0.072 1 450 51 51 GLU CA C 60.446 0.032 1 451 51 51 GLU CB C 31.149 0.010 1 452 51 51 GLU CG C 37.158 0.000 1 453 51 51 GLU N N 124.369 0.116 1 454 52 52 VAL H H 8.357 0.002 1 455 52 52 VAL HA H 3.579 0.031 1 456 52 52 VAL HB H 2.194 0.014 1 457 52 52 VAL HG1 H 1.137 0.020 2 458 52 52 VAL HG2 H 0.967 0.017 2 459 52 52 VAL C C 179.967 0.074 1 460 52 52 VAL CA C 68.122 0.122 1 461 52 52 VAL CB C 33.074 0.096 1 462 52 52 VAL CG1 C 23.776 0.091 2 463 52 52 VAL CG2 C 22.335 0.016 2 464 52 52 VAL N N 119.793 0.053 1 465 53 53 SER H H 8.050 0.008 1 466 53 53 SER HA H 4.361 0.007 1 467 53 53 SER HB2 H 4.000 0.010 2 468 53 53 SER C C 176.657 0.011 1 469 53 53 SER CA C 61.608 0.054 1 470 53 53 SER CB C 64.550 0.092 1 471 53 53 SER N N 115.506 0.027 1 472 54 54 SER H H 7.831 0.004 1 473 54 54 SER HA H 4.306 0.008 1 474 54 54 SER C C 177.266 0.020 1 475 54 54 SER CA C 61.772 0.032 1 476 54 54 SER CB C 65.733 0.029 1 477 54 54 SER N N 116.986 0.026 1 478 55 55 GLY H H 7.824 0.006 1 479 55 55 GLY HA2 H 4.152 0.009 2 480 55 55 GLY HA3 H 3.896 0.008 2 481 55 55 GLY C C 175.367 0.000 1 482 55 55 GLY CA C 47.220 0.056 1 483 55 55 GLY N N 110.355 0.021 1 484 56 56 SER H H 8.066 0.004 1 485 56 56 SER HA H 4.380 0.008 1 486 56 56 SER C C 175.374 0.000 1 487 56 56 SER CA C 58.418 0.025 1 488 56 56 SER CB C 66.153 0.083 1 489 56 56 SER N N 116.596 0.040 1 490 57 57 ALA H H 8.959 0.003 1 491 57 57 ALA HA H 4.120 0.015 1 492 57 57 ALA HB H 1.502 0.014 1 493 57 57 ALA C C 175.274 0.020 1 494 57 57 ALA CA C 56.777 0.059 1 495 57 57 ALA CB C 18.390 0.098 1 496 57 57 ALA N N 125.253 0.022 1 497 58 58 ARG H H 8.597 0.011 1 498 58 58 ARG HA H 4.075 0.015 1 499 58 58 ARG HB2 H 1.871 0.029 2 500 58 58 ARG HD2 H 3.182 0.000 2 501 58 58 ARG HD3 H 3.034 0.000 2 502 58 58 ARG C C 182.243 0.000 1 503 58 58 ARG CA C 60.466 0.000 1 504 58 58 ARG CB C 31.834 0.060 1 505 58 58 ARG CG C 27.354 0.000 1 506 58 58 ARG CD C 45.365 0.000 1 507 58 58 ARG N N 120.288 0.019 1 508 59 59 GLY H H 8.771 0.010 1 509 59 59 GLY HA2 H 3.921 0.012 2 510 59 59 GLY HA3 H 3.412 0.010 2 511 59 59 GLY C C 179.343 0.030 1 512 59 59 GLY CA C 48.702 0.054 1 513 59 59 GLY N N 110.517 0.032 1 514 60 60 LYS H H 8.468 0.010 1 515 60 60 LYS HA H 4.120 0.024 1 516 60 60 LYS HB2 H 1.947 0.072 2 517 60 60 LYS HB3 H 1.727 0.041 2 518 60 60 LYS HE2 H 3.004 0.000 2 519 60 60 LYS C C 176.682 0.006 1 520 60 60 LYS CA C 60.617 0.003 1 521 60 60 LYS CB C 33.323 0.112 1 522 60 60 LYS CG C 26.344 0.105 1 523 60 60 LYS CD C 30.029 0.063 1 524 60 60 LYS CE C 43.217 0.148 1 525 60 60 LYS N N 123.170 0.027 1 526 61 61 LYS H H 7.654 0.004 1 527 61 61 LYS HA H 4.312 0.152 1 528 61 61 LYS HB2 H 2.016 0.003 2 529 61 61 LYS HB3 H 1.749 0.001 2 530 61 61 LYS HG2 H 1.545 0.030 2 531 61 61 LYS HE2 H 2.968 0.000 2 532 61 61 LYS C C 180.886 0.000 1 533 61 61 LYS CA C 59.854 0.014 1 534 61 61 LYS CB C 32.934 0.112 1 535 61 61 LYS CG C 26.006 0.127 1 536 61 61 LYS CD C 29.825 0.006 1 537 61 61 LYS CE C 43.217 0.000 1 538 61 61 LYS N N 121.539 0.029 1 539 62 62 LEU H H 8.423 0.009 1 540 62 62 LEU HA H 4.030 0.007 1 541 62 62 LEU HB2 H 2.013 0.010 2 542 62 62 LEU HB3 H 1.251 0.019 2 543 62 62 LEU HD1 H 0.867 0.025 2 544 62 62 LEU C C 180.334 0.064 1 545 62 62 LEU CA C 58.974 0.051 1 546 62 62 LEU CB C 43.151 0.003 1 547 62 62 LEU CG C 27.601 0.000 1 548 62 62 LEU CD1 C 25.151 0.000 2 549 62 62 LEU N N 119.714 0.030 1 550 63 63 SER H H 8.444 0.003 1 551 63 63 SER HA H 4.101 0.002 1 552 63 63 SER C C 179.666 0.066 1 553 63 63 SER CA C 63.155 0.055 1 554 63 63 SER CB C 64.126 0.120 1 555 63 63 SER N N 115.017 0.039 1 556 64 64 GLU H H 7.616 0.005 1 557 64 64 GLU HA H 4.079 0.008 1 558 64 64 GLU HB2 H 2.481 0.006 2 559 64 64 GLU HB3 H 2.203 0.019 2 560 64 64 GLU C C 177.700 0.029 1 561 64 64 GLU CA C 60.531 0.040 1 562 64 64 GLU CB C 30.898 0.023 1 563 64 64 GLU CG C 37.524 0.000 1 564 64 64 GLU N N 122.101 0.048 1 565 65 65 ILE H H 7.789 0.010 1 566 65 65 ILE HA H 3.656 0.009 1 567 65 65 ILE HB H 1.969 0.021 1 568 65 65 ILE HG12 H 1.743 0.000 2 569 65 65 ILE HG13 H 1.136 0.025 2 570 65 65 ILE HG2 H 0.753 0.012 1 571 65 65 ILE HD1 H 0.787 0.008 1 572 65 65 ILE C C 179.570 0.061 1 573 65 65 ILE CA C 66.641 0.157 1 574 65 65 ILE CB C 39.746 0.124 1 575 65 65 ILE CG1 C 30.876 0.000 1 576 65 65 ILE CG2 C 20.693 0.000 1 577 65 65 ILE CD1 C 14.908 0.055 1 578 65 65 ILE N N 120.318 0.034 1 579 66 66 MET H H 8.303 0.006 1 580 66 66 MET HA H 4.242 0.000 1 581 66 66 MET HB2 H 2.547 0.027 2 582 66 66 MET HB3 H 2.183 0.002 2 583 66 66 MET HG2 H 2.740 0.014 2 584 66 66 MET C C 181.843 0.091 1 585 66 66 MET CA C 60.218 0.001 1 586 66 66 MET CB C 34.079 0.133 1 587 66 66 MET N N 118.399 0.042 1 588 67 67 GLU H H 8.519 0.003 1 589 67 67 GLU HA H 4.106 0.011 1 590 67 67 GLU HB2 H 2.176 0.002 2 591 67 67 GLU HG2 H 2.374 0.006 2 592 67 67 GLU HG3 H 2.405 0.000 2 593 67 67 GLU C C 179.439 0.040 1 594 67 67 GLU CA C 60.342 0.133 1 595 67 67 GLU CB C 30.538 0.078 1 596 67 67 GLU CG C 37.542 0.026 1 597 67 67 GLU N N 122.573 0.030 1 598 68 68 LYS H H 7.513 0.026 1 599 68 68 LYS HA H 4.311 0.042 1 600 68 68 LYS HB2 H 2.047 0.043 2 601 68 68 LYS HB3 H 1.762 0.076 2 602 68 68 LYS HD2 H 1.681 0.020 2 603 68 68 LYS HE2 H 3.117 0.133 2 604 68 68 LYS HE3 H 3.048 0.000 2 605 68 68 LYS C C 178.116 0.038 1 606 68 68 LYS CA C 57.558 0.037 1 607 68 68 LYS CB C 34.185 0.034 1 608 68 68 LYS CG C 26.808 0.000 1 609 68 68 LYS CD C 30.345 0.000 1 610 68 68 LYS CE C 43.421 0.000 1 611 68 68 LYS N N 116.993 0.036 1 612 69 69 GLY H H 7.980 0.004 1 613 69 69 GLY HA2 H 4.040 0.008 2 614 69 69 GLY HA3 H 3.874 0.009 2 615 69 69 GLY C C 176.075 0.026 1 616 69 69 GLY CA C 47.313 0.045 1 617 69 69 GLY N N 109.502 0.018 1 618 70 70 GLN H H 7.627 0.011 1 619 70 70 GLN HA H 4.378 0.011 1 620 70 70 GLN HB2 H 2.016 0.029 2 621 70 70 GLN HG2 H 2.400 0.121 2 622 70 70 GLN HG3 H 1.995 0.000 2 623 70 70 GLN C C 175.460 0.008 1 624 70 70 GLN CA C 55.432 0.082 1 625 70 70 GLN CB C 31.448 0.034 1 626 70 70 GLN CG C 35.335 0.022 1 627 70 70 GLN N N 118.986 0.037 1 628 71 71 LEU H H 8.074 0.003 1 629 71 71 LEU HA H 4.337 0.011 1 630 71 71 LEU HB2 H 1.619 0.000 2 631 71 71 LEU HB3 H 1.528 0.023 2 632 71 71 LEU HD1 H 0.950 0.030 2 633 71 71 LEU HD2 H 0.868 0.000 2 634 71 71 LEU C C 178.301 0.044 1 635 71 71 LEU CA C 55.262 0.059 1 636 71 71 LEU CB C 43.660 0.037 1 637 71 71 LEU CG C 27.876 0.000 1 638 71 71 LEU CD1 C 25.967 0.086 2 639 71 71 LEU CD2 C 24.750 0.000 2 640 71 71 LEU N N 120.453 0.077 1 641 72 72 VAL H H 8.405 0.002 1 642 72 72 VAL HA H 4.009 0.003 1 643 72 72 VAL HB H 1.940 0.011 1 644 72 72 VAL C C 175.415 0.000 1 645 72 72 VAL CA C 62.070 0.000 1 646 72 72 VAL CB C 33.316 0.000 1 647 72 72 VAL N N 125.552 0.047 1 648 73 73 PRO HA H 4.368 0.008 1 649 73 73 PRO HB2 H 2.037 0.021 2 650 73 73 PRO HD2 H 3.485 0.012 2 651 73 73 PRO C C 178.645 0.029 1 652 73 73 PRO CA C 64.238 0.008 1 653 73 73 PRO CB C 33.571 0.081 1 654 73 73 PRO CG C 28.917 0.000 1 655 73 73 PRO CD C 52.603 0.000 1 656 74 74 LEU H H 8.679 0.002 1 657 74 74 LEU HA H 4.101 0.018 1 658 74 74 LEU HB2 H 1.806 0.040 2 659 74 74 LEU HB3 H 1.145 0.007 2 660 74 74 LEU HG H 1.026 0.057 1 661 74 74 LEU C C 179.551 0.055 1 662 74 74 LEU CA C 59.195 0.066 1 663 74 74 LEU CB C 42.581 0.097 1 664 74 74 LEU CG C 27.959 0.115 1 665 74 74 LEU CD1 C 27.030 0.000 2 666 74 74 LEU CD2 C 24.620 0.166 2 667 74 74 LEU N N 127.762 0.095 1 668 75 75 GLU H H 9.309 0.009 1 669 75 75 GLU HA H 3.856 0.013 1 670 75 75 GLU HB2 H 2.007 0.004 2 671 75 75 GLU HG2 H 2.285 0.010 2 672 75 75 GLU C C 178.889 0.043 1 673 75 75 GLU CA C 61.189 0.047 1 674 75 75 GLU CB C 30.112 0.046 1 675 75 75 GLU CG C 37.323 0.049 1 676 75 75 GLU N N 117.356 0.018 1 677 76 76 THR H H 8.470 0.004 1 678 76 76 THR HA H 3.492 0.003 1 679 76 76 THR HB H 2.292 0.001 1 680 76 76 THR HG1 H 4.381 0.000 1 681 76 76 THR HG2 H 1.218 0.018 1 682 76 76 THR C C 177.064 0.027 1 683 76 76 THR CA C 67.087 0.054 1 684 76 76 THR CB C 69.598 0.073 1 685 76 76 THR CG2 C 23.578 0.065 . 686 76 76 THR N N 115.525 0.035 1 687 77 77 VAL H H 7.528 0.004 1 688 77 77 VAL HA H 3.519 0.018 1 689 77 77 VAL HB H 2.329 0.010 1 690 77 77 VAL HG1 H 0.960 0.022 2 691 77 77 VAL HG2 H 0.910 0.009 2 692 77 77 VAL C C 179.102 0.057 1 693 77 77 VAL CA C 68.430 0.080 1 694 77 77 VAL CB C 32.785 0.089 1 695 77 77 VAL CG1 C 23.944 0.071 2 696 77 77 VAL CG2 C 22.293 0.154 2 697 77 77 VAL N N 123.198 0.034 1 698 78 78 LEU H H 8.476 0.004 1 699 78 78 LEU HA H 4.123 0.121 1 700 78 78 LEU HB2 H 1.821 0.037 2 701 78 78 LEU HG H 1.153 0.011 1 702 78 78 LEU HD1 H 0.924 0.000 2 703 78 78 LEU C C 179.818 0.000 1 704 78 78 LEU CA C 58.964 0.091 1 705 78 78 LEU CB C 42.492 0.117 1 706 78 78 LEU CG C 27.481 0.119 1 707 78 78 LEU CD1 C 25.017 0.105 2 708 78 78 LEU N N 119.000 0.039 1 709 79 79 ASP H H 8.104 0.014 1 710 79 79 ASP HA H 4.230 0.015 1 711 79 79 ASP HB2 H 2.927 0.003 2 712 79 79 ASP HB3 H 2.647 0.028 2 713 79 79 ASP C C 179.254 0.079 1 714 79 79 ASP CA C 55.295 0.105 1 715 79 79 ASP CB C 41.340 0.066 1 716 79 79 ASP N N 121.887 0.035 1 717 80 80 MET H H 7.858 0.007 1 718 80 80 MET HA H 3.962 0.003 1 719 80 80 MET HB2 H 1.977 0.003 2 720 80 80 MET HG2 H 3.223 0.000 2 721 80 80 MET C C 180.585 0.045 1 722 80 80 MET CA C 60.675 0.027 1 723 80 80 MET CB C 35.005 0.018 1 724 80 80 MET N N 118.388 0.042 1 725 81 81 LEU H H 8.394 0.006 1 726 81 81 LEU HA H 3.777 0.014 1 727 81 81 LEU HB2 H 1.717 0.018 2 728 81 81 LEU HB3 H 1.299 0.018 2 729 81 81 LEU HG H 1.532 0.001 1 730 81 81 LEU HD1 H 0.652 0.009 2 731 81 81 LEU HD2 H 0.534 0.004 2 732 81 81 LEU C C 179.223 0.104 1 733 81 81 LEU CA C 59.358 0.077 1 734 81 81 LEU CB C 43.766 0.061 1 735 81 81 LEU CG C 28.038 0.000 1 736 81 81 LEU CD1 C 25.833 0.104 2 737 81 81 LEU N N 122.539 0.041 1 738 82 82 ARG H H 8.666 0.004 1 739 82 82 ARG HA H 3.539 0.017 1 740 82 82 ARG C C 179.168 0.000 1 741 82 82 ARG CA C 61.421 0.049 1 742 82 82 ARG CB C 30.498 0.162 1 743 82 82 ARG CG C 28.970 0.000 1 744 82 82 ARG CD C 44.284 0.101 1 745 82 82 ARG N N 120.460 0.020 1 746 83 83 ASP H H 8.355 0.006 1 747 83 83 ASP HA H 4.267 0.007 1 748 83 83 ASP HB2 H 2.686 0.039 2 749 83 83 ASP C C 180.279 0.031 1 750 83 83 ASP CA C 58.642 0.050 1 751 83 83 ASP CB C 41.285 0.041 1 752 83 83 ASP N N 119.114 0.035 1 753 84 84 ALA H H 7.762 0.006 1 754 84 84 ALA HA H 4.165 0.006 1 755 84 84 ALA HB H 1.504 0.016 1 756 84 84 ALA C C 180.848 0.103 1 757 84 84 ALA CA C 56.072 0.108 1 758 84 84 ALA CB C 20.202 0.113 1 759 84 84 ALA N N 123.188 0.024 1 760 85 85 MET H H 7.939 0.009 1 761 85 85 MET HA H 3.678 0.020 1 762 85 85 MET HB2 H 1.698 0.013 2 763 85 85 MET HB3 H 1.238 0.000 2 764 85 85 MET HG2 H 2.337 0.000 2 765 85 85 MET HG3 H 2.278 0.001 2 766 85 85 MET HE H 1.792 0.000 1 767 85 85 MET C C 179.763 0.056 1 768 85 85 MET CA C 60.074 0.039 1 769 85 85 MET CB C 35.321 0.090 1 770 85 85 MET CG C 33.616 0.000 1 771 85 85 MET N N 117.364 0.028 1 772 86 86 VAL H H 8.833 0.002 1 773 86 86 VAL HA H 3.565 0.018 1 774 86 86 VAL HB H 2.187 0.016 1 775 86 86 VAL HG1 H 1.082 0.023 2 776 86 86 VAL HG2 H 0.780 0.011 2 777 86 86 VAL C C 179.156 0.060 1 778 86 86 VAL CA C 67.721 0.062 1 779 86 86 VAL CB C 32.921 0.153 1 780 86 86 VAL CG1 C 24.564 0.062 2 781 86 86 VAL CG2 C 22.424 0.138 2 782 86 86 VAL N N 119.832 0.027 1 783 87 87 ALA H H 7.522 0.018 1 784 87 87 ALA HA H 4.257 0.019 1 785 87 87 ALA HB H 1.574 0.031 1 786 87 87 ALA C C 180.416 0.000 1 787 87 87 ALA CA C 55.366 0.104 1 788 87 87 ALA CB C 19.909 0.065 1 789 87 87 ALA N N 119.393 0.056 1 790 88 88 LYS H H 7.370 0.007 1 791 88 88 LYS HA H 4.751 0.006 1 792 88 88 LYS HB2 H 2.250 0.011 2 793 88 88 LYS HB3 H 1.959 0.008 2 794 88 88 LYS HD2 H 1.850 0.000 2 795 88 88 LYS HD3 H 1.666 0.004 2 796 88 88 LYS HE2 H 3.080 0.000 2 797 88 88 LYS C C 179.367 0.048 1 798 88 88 LYS CA C 56.319 0.103 1 799 88 88 LYS CB C 36.402 0.015 1 800 88 88 LYS CG C 26.778 0.000 1 801 88 88 LYS CD C 29.924 0.000 1 802 88 88 LYS CE C 43.562 0.000 1 803 88 88 LYS N N 114.777 0.024 1 804 89 89 VAL H H 8.052 0.019 1 805 89 89 VAL HA H 4.060 0.014 1 806 89 89 VAL HB H 2.496 0.027 1 807 89 89 VAL HG1 H 1.144 0.009 2 808 89 89 VAL HG2 H 1.105 0.004 2 809 89 89 VAL C C 176.442 0.015 1 810 89 89 VAL CA C 66.866 0.055 1 811 89 89 VAL CB C 32.500 0.036 1 812 89 89 VAL CG1 C 24.106 0.065 2 813 89 89 VAL CG2 C 21.191 0.038 2 814 89 89 VAL N N 123.197 0.021 1 815 90 90 ASN H H 8.734 0.011 1 816 90 90 ASN HA H 4.734 0.014 1 817 90 90 ASN HB2 H 2.920 0.000 1 818 90 90 ASN HB3 H 2.920 0.000 1 819 90 90 ASN HD21 H 7.202 0.000 2 820 90 90 ASN C C 177.603 0.000 1 821 90 90 ASN CA C 56.178 0.067 1 822 90 90 ASN CB C 39.624 0.072 1 823 90 90 ASN N N 118.017 0.028 1 824 91 91 THR H H 7.617 0.007 1 825 91 91 THR HA H 4.596 0.014 1 826 91 91 THR HB H 4.438 0.019 1 827 91 91 THR HG2 H 1.192 0.001 1 828 91 91 THR C C 175.400 0.015 1 829 91 91 THR CA C 62.256 0.066 1 830 91 91 THR CB C 71.091 0.055 1 831 91 91 THR CG2 C 22.679 0.057 1 832 91 91 THR N N 107.812 0.044 1 833 92 92 SER H H 7.672 0.003 1 834 92 92 SER HA H 4.575 0.005 1 835 92 92 SER HB2 H 3.567 0.013 2 836 92 92 SER HB3 H 3.317 0.013 2 837 92 92 SER C C 176.188 0.013 1 838 92 92 SER CA C 59.080 0.073 1 839 92 92 SER CB C 65.803 0.105 1 840 92 92 SER N N 117.041 0.030 1 841 93 93 LYS H H 8.362 0.007 1 842 93 93 LYS HA H 4.386 0.011 1 843 93 93 LYS HB2 H 2.002 0.016 2 844 93 93 LYS HB3 H 1.728 0.022 2 845 93 93 LYS HE2 H 2.917 0.154 2 846 93 93 LYS HE3 H 2.312 0.000 2 847 93 93 LYS HZ H 6.201 0.087 1 848 93 93 LYS C C 176.913 0.013 1 849 93 93 LYS CA C 57.479 0.049 1 850 93 93 LYS CB C 33.701 0.076 1 851 93 93 LYS CG C 26.576 0.079 1 852 93 93 LYS CD C 29.875 0.032 1 853 93 93 LYS CE C 43.397 0.121 1 854 93 93 LYS N N 124.383 0.046 1 855 94 94 GLY H H 7.684 0.002 1 856 94 94 GLY HA2 H 3.818 0.032 2 857 94 94 GLY HA3 H 3.358 0.025 2 858 94 94 GLY C C 172.008 0.040 1 859 94 94 GLY CA C 45.789 0.091 1 860 94 94 GLY N N 107.447 0.047 1 861 95 95 PHE H H 8.813 0.023 1 862 95 95 PHE HA H 5.226 0.018 1 863 95 95 PHE HB2 H 2.827 0.032 2 864 95 95 PHE HZ H 7.104 0.001 1 865 95 95 PHE C C 174.321 0.000 1 866 95 95 PHE CA C 58.938 0.079 1 867 95 95 PHE CB C 44.261 0.072 1 868 95 95 PHE N N 117.891 0.023 1 869 96 96 LEU H H 9.135 0.006 1 870 96 96 LEU HA H 5.204 0.019 1 871 96 96 LEU HB2 H 1.672 0.019 2 872 96 96 LEU HD1 H 0.846 0.026 2 873 96 96 LEU C C 175.682 0.000 1 874 96 96 LEU CA C 53.929 0.054 1 875 96 96 LEU CB C 45.699 0.019 1 876 96 96 LEU CG C 27.910 0.095 1 877 96 96 LEU CD1 C 26.160 0.049 2 878 96 96 LEU N N 124.644 0.036 1 879 97 97 ILE H H 9.413 0.007 1 880 97 97 ILE HA H 4.746 0.035 1 881 97 97 ILE HB H 2.359 0.013 1 882 97 97 ILE HG12 H 1.442 0.027 2 883 97 97 ILE HG13 H 1.166 0.039 2 884 97 97 ILE HG2 H 0.794 0.013 1 885 97 97 ILE HD1 H 0.908 0.007 1 886 97 97 ILE CA C 60.841 0.161 1 887 97 97 ILE CB C 37.355 0.145 1 888 97 97 ILE CG1 C 28.660 0.157 1 889 97 97 ILE CG2 C 19.238 0.042 1 890 97 97 ILE CD1 C 13.449 0.055 1 891 97 97 ILE N N 126.452 0.042 1 892 98 98 ASP H H 8.665 0.006 1 893 98 98 ASP HA H 4.939 0.047 1 894 98 98 ASP HB2 H 3.046 0.039 2 895 98 98 ASP HB3 H 2.656 0.009 2 896 98 98 ASP C C 175.510 0.000 1 897 98 98 ASP CA C 54.643 0.109 1 898 98 98 ASP CB C 44.488 0.153 1 899 98 98 ASP N N 127.063 0.033 1 900 99 99 GLY H H 9.593 0.006 1 901 99 99 GLY HA2 H 4.295 0.005 2 902 99 99 GLY HA3 H 3.972 0.009 2 903 99 99 GLY C C 178.225 0.000 1 904 99 99 GLY CA C 47.331 0.033 1 905 99 99 GLY N N 116.894 0.071 1 906 100 100 TYR HA H 4.835 0.004 1 907 100 100 TYR HB2 H 3.090 0.000 2 908 100 100 TYR HB3 H 2.687 0.000 2 909 100 100 TYR HE1 H 6.469 0.008 3 910 100 100 TYR HH H 8.824 0.000 1 911 100 100 TYR C C 173.748 0.000 1 912 100 100 TYR N N 123.618 0.020 1 913 101 101 PRO HA H 2.888 0.009 1 914 101 101 PRO C C 176.702 0.000 1 915 101 101 PRO CA C 62.465 0.000 1 916 101 101 PRO CB C 35.835 0.083 1 917 102 102 ARG H H 7.972 0.002 1 918 102 102 ARG HA H 4.252 0.021 1 919 102 102 ARG HB2 H 1.758 0.021 2 920 102 102 ARG HD2 H 3.285 0.032 2 921 102 102 ARG C C 176.533 0.053 1 922 102 102 ARG CA C 56.751 0.080 1 923 102 102 ARG CB C 31.978 0.032 1 924 102 102 ARG CG C 28.636 0.095 1 925 102 102 ARG CD C 44.222 0.072 1 926 102 102 ARG N N 116.281 0.030 1 927 103 103 GLU H H 6.802 0.007 1 928 103 103 GLU HA H 4.531 0.013 1 929 103 103 GLU HB2 H 2.278 0.029 2 930 103 103 GLU HB3 H 1.955 0.013 2 931 103 103 GLU HG2 H 2.198 0.006 . 932 103 103 GLU HG3 H 1.992 0.005 2 933 103 103 GLU C C 178.361 0.034 1 934 103 103 GLU CA C 54.846 0.071 1 935 103 103 GLU CB C 35.124 0.082 1 936 103 103 GLU CG C 36.963 0.040 1 937 103 103 GLU N N 112.653 0.024 1 938 104 104 VAL H H 9.397 0.004 1 939 104 104 VAL HA H 3.057 0.016 1 940 104 104 VAL HB H 1.749 0.016 1 941 104 104 VAL HG1 H 0.736 0.018 2 942 104 104 VAL HG2 H 0.184 0.018 2 943 104 104 VAL C C 179.323 0.045 1 944 104 104 VAL CA C 69.221 0.095 1 945 104 104 VAL CB C 32.359 0.038 1 946 104 104 VAL CG1 C 24.884 0.010 2 947 104 104 VAL CG2 C 21.140 0.051 2 948 104 104 VAL N N 126.777 0.030 1 949 105 105 GLN H H 9.104 0.003 1 950 105 105 GLN HA H 4.096 0.000 1 951 105 105 GLN HB2 H 1.850 0.012 2 952 105 105 GLN HB3 H 1.683 0.022 2 953 105 105 GLN HG2 H 2.968 0.000 2 954 105 105 GLN HG3 H 2.344 0.000 2 955 105 105 GLN C C 179.673 0.027 1 956 105 105 GLN CA C 60.123 0.056 1 957 105 105 GLN CB C 28.771 0.077 1 958 105 105 GLN CG C 34.628 0.000 1 959 105 105 GLN N N 119.588 0.018 1 960 106 106 GLN H H 6.924 0.010 1 961 106 106 GLN HA H 4.065 0.017 1 962 106 106 GLN HB2 H 2.025 0.097 2 963 106 106 GLN HB3 H 1.824 0.098 2 964 106 106 GLN HG2 H 2.533 0.015 2 965 106 106 GLN HE21 H 7.092 0.007 2 966 106 106 GLN C C 181.560 0.053 1 967 106 106 GLN CA C 59.658 0.099 1 968 106 106 GLN CB C 28.514 0.000 1 969 106 106 GLN CG C 34.908 0.000 1 970 106 106 GLN N N 115.480 0.100 1 971 107 107 GLY H H 7.730 0.006 1 972 107 107 GLY HA2 H 4.263 0.004 2 973 107 107 GLY HA3 H 3.838 0.012 2 974 107 107 GLY C C 176.576 0.005 1 975 107 107 GLY CA C 48.972 0.044 1 976 107 107 GLY N N 111.792 0.159 1 977 108 108 GLU H H 8.193 0.004 1 978 108 108 GLU HA H 4.147 0.009 1 979 108 108 GLU HB2 H 2.085 0.000 2 980 108 108 GLU C C 180.883 0.000 1 981 108 108 GLU CA C 61.407 0.033 1 982 108 108 GLU CB C 31.286 0.000 1 983 108 108 GLU CG C 37.689 0.000 1 984 108 108 GLU N N 122.596 0.028 1 985 109 109 GLU H H 8.308 0.005 1 986 109 109 GLU C C 179.738 0.000 1 987 109 109 GLU CA C 60.214 0.096 1 988 109 109 GLU CB C 30.740 0.000 1 989 109 109 GLU CG C 37.040 0.000 1 990 109 109 GLU N N 119.148 0.106 1 991 110 110 PHE H H 8.003 0.024 1 992 110 110 PHE HA H 3.953 0.008 1 993 110 110 PHE HB2 H 3.506 0.008 2 994 110 110 PHE HD1 H 6.488 0.000 3 995 110 110 PHE HE1 H 7.293 0.000 3 996 110 110 PHE C C 178.762 0.002 1 997 110 110 PHE CA C 63.333 0.022 1 998 110 110 PHE CB C 40.877 0.002 1 999 110 110 PHE N N 121.106 0.036 1 1000 111 111 GLU H H 8.279 0.003 1 1001 111 111 GLU HA H 4.477 0.010 1 1002 111 111 GLU HB2 H 2.307 0.000 2 1003 111 111 GLU HG2 H 2.874 0.013 2 1004 111 111 GLU HG3 H 2.593 0.020 2 1005 111 111 GLU C C 178.841 0.000 1 1006 111 111 GLU CA C 59.701 0.088 1 1007 111 111 GLU CB C 30.647 0.019 1 1008 111 111 GLU CG C 38.453 0.021 1 1009 111 111 GLU N N 120.224 0.025 1 1010 112 112 ARG H H 7.578 0.005 1 1011 112 112 ARG HA H 4.116 0.017 1 1012 112 112 ARG HB2 H 1.897 0.023 2 1013 112 112 ARG HB3 H 1.631 0.008 2 1014 112 112 ARG HD2 H 3.245 0.011 2 1015 112 112 ARG C C 179.200 0.053 1 1016 112 112 ARG CA C 59.817 0.028 1 1017 112 112 ARG CB C 32.452 0.159 1 1018 112 112 ARG CG C 28.735 0.125 1 1019 112 112 ARG CD C 44.378 0.068 1 1020 112 112 ARG N N 117.902 0.047 1 1021 113 113 ARG H H 7.788 0.006 1 1022 113 113 ARG HA H 4.258 0.012 1 1023 113 113 ARG HG2 H 1.586 0.008 2 1024 113 113 ARG HD2 H 3.188 0.016 2 1025 113 113 ARG C C 177.459 0.002 1 1026 113 113 ARG CA C 58.104 0.067 1 1027 113 113 ARG CB C 33.074 0.123 1 1028 113 113 ARG CG C 28.489 0.000 1 1029 113 113 ARG CD C 43.727 0.000 1 1030 113 113 ARG N N 115.153 0.035 1 1031 114 114 ILE H H 8.300 0.007 1 1032 114 114 ILE HA H 3.856 0.020 1 1033 114 114 ILE HG12 H 0.992 0.020 2 1034 114 114 ILE HG13 H 0.667 0.018 2 1035 114 114 ILE HG2 H 0.401 0.007 1 1036 114 114 ILE HD1 H 0.331 0.012 1 1037 114 114 ILE C C 175.045 0.015 1 1038 114 114 ILE CA C 64.734 0.097 1 1039 114 114 ILE CB C 39.520 0.031 1 1040 114 114 ILE CG1 C 29.051 0.001 1 1041 114 114 ILE CG2 C 19.390 0.046 1 1042 114 114 ILE CD1 C 14.453 0.039 1 1043 114 114 ILE N N 119.395 0.029 1 1044 115 115 GLY H H 7.169 0.008 1 1045 115 115 GLY HA2 H 4.007 0.013 2 1046 115 115 GLY C C 172.161 0.033 1 1047 115 115 GLY CA C 46.329 0.138 1 1048 115 115 GLY N N 105.513 0.026 1 1049 116 116 GLN H H 8.470 0.002 1 1050 116 116 GLN HA H 4.716 0.026 1 1051 116 116 GLN HB2 H 2.036 0.002 2 1052 116 116 GLN HG2 H 2.475 0.000 2 1053 116 116 GLN C C 175.538 0.000 1 1054 116 116 GLN CA C 54.803 0.000 1 1055 116 116 GLN CB C 30.374 0.000 1 1056 116 116 GLN N N 117.596 0.031 1 1057 117 117 PRO HA H 4.050 0.008 1 1058 117 117 PRO C C 176.528 0.000 1 1059 117 117 PRO CA C 62.957 0.053 1 1060 117 117 PRO CB C 30.614 0.093 1 1061 117 117 PRO CG C 28.553 0.000 1 1062 118 118 THR H H 9.572 0.008 1 1063 118 118 THR HA H 4.074 0.013 1 1064 118 118 THR HB H 3.743 0.018 1 1065 118 118 THR HG2 H 1.318 0.012 1 1066 118 118 THR C C 174.542 0.030 1 1067 118 118 THR CA C 65.686 0.065 1 1068 118 118 THR CB C 70.724 0.054 1 1069 118 118 THR CG2 C 24.767 0.079 1 1070 118 118 THR N N 119.703 0.064 1 1071 119 119 LEU H H 7.257 0.006 1 1072 119 119 LEU HA H 4.654 0.006 1 1073 119 119 LEU HB2 H 1.455 0.018 2 1074 119 119 LEU HB3 H 1.368 0.000 2 1075 119 119 LEU HD1 H 0.845 0.007 2 1076 119 119 LEU C C 174.511 0.039 1 1077 119 119 LEU CA C 54.908 0.082 1 1078 119 119 LEU CB C 50.579 0.026 1 1079 119 119 LEU CD1 C 28.523 0.073 2 1080 119 119 LEU CD2 C 25.717 0.074 2 1081 119 119 LEU N N 116.378 0.032 1 1082 120 120 LEU H H 8.440 0.005 1 1083 120 120 LEU HA H 5.206 0.068 1 1084 120 120 LEU HB2 H 1.533 0.000 2 1085 120 120 LEU HB3 H 1.304 0.004 2 1086 120 120 LEU HG H 1.514 0.015 1 1087 120 120 LEU HD1 H 0.723 0.013 2 1088 120 120 LEU C C 175.402 0.038 1 1089 120 120 LEU CA C 55.662 0.086 1 1090 120 120 LEU CB C 45.235 0.046 1 1091 120 120 LEU CG C 28.179 0.114 1 1092 120 120 LEU CD1 C 26.118 0.097 2 1093 120 120 LEU N N 126.539 0.018 1 1094 121 121 LEU H H 9.239 0.014 1 1095 121 121 LEU HA H 4.913 0.023 1 1096 121 121 LEU HB2 H 1.512 0.020 2 1097 121 121 LEU HD1 H 0.828 0.013 2 1098 121 121 LEU C C 174.250 0.000 1 1099 121 121 LEU CA C 54.464 0.030 1 1100 121 121 LEU CB C 45.289 0.038 1 1101 121 121 LEU CG C 28.073 0.000 1 1102 121 121 LEU CD1 C 26.217 0.037 2 1103 121 121 LEU N N 128.438 0.047 1 1104 122 122 TYR H H 8.769 0.004 1 1105 122 122 TYR HA H 5.634 0.018 1 1106 122 122 TYR HB2 H 2.889 0.009 2 1107 122 122 TYR HB3 H 2.573 0.022 2 1108 122 122 TYR HD1 H 6.921 0.002 3 1109 122 122 TYR C C 174.795 0.000 1 1110 122 122 TYR CA C 54.476 0.024 1 1111 122 122 TYR CB C 40.050 0.059 1 1112 122 122 TYR N N 128.670 0.038 1 1113 123 123 VAL H H 9.177 0.004 1 1114 123 123 VAL HA H 4.050 0.021 1 1115 123 123 VAL HB H 2.082 0.018 1 1116 123 123 VAL HG1 H 0.661 0.013 2 1117 123 123 VAL HG2 H 0.681 0.003 2 1118 123 123 VAL C C 174.192 0.000 1 1119 123 123 VAL CA C 63.037 0.081 1 1120 123 123 VAL CB C 32.441 0.098 1 1121 123 123 VAL CG1 C 23.450 0.049 2 1122 123 123 VAL CG2 C 21.150 0.055 2 1123 123 123 VAL N N 130.674 0.040 1 1124 124 124 ASP H H 8.046 0.128 1 1125 124 124 ASP HA H 4.521 0.013 1 1126 124 124 ASP HB2 H 2.428 0.026 2 1127 124 124 ASP HB3 H 1.711 0.020 2 1128 124 124 ASP C C 175.456 0.002 1 1129 124 124 ASP CA C 55.510 0.078 1 1130 124 124 ASP CB C 44.838 0.051 1 1131 124 124 ASP N N 125.341 0.029 1 1132 125 125 ALA H H 7.633 0.006 1 1133 125 125 ALA HA H 4.622 0.006 1 1134 125 125 ALA HB H 1.285 0.017 1 1135 125 125 ALA C C 176.542 0.022 1 1136 125 125 ALA CA C 51.913 0.031 1 1137 125 125 ALA CB C 22.967 0.146 1 1138 125 125 ALA N N 128.385 0.037 1 1139 126 126 GLY H H 8.447 0.007 1 1140 126 126 GLY HA2 H 4.174 0.000 2 1141 126 126 GLY HA3 H 3.821 0.012 2 1142 126 126 GLY C C 173.588 0.000 1 1143 126 126 GLY CA C 45.394 0.000 1 1144 126 126 GLY N N 108.404 0.027 1 1145 127 127 PRO HA H 4.412 0.018 1 1146 127 127 PRO HB2 H 2.335 0.121 2 1147 127 127 PRO HB3 H 2.126 0.000 2 1148 127 127 PRO C C 180.961 0.000 1 1149 127 127 PRO CA C 66.828 0.052 1 1150 127 127 PRO CB C 32.949 0.072 1 1151 127 127 PRO CG C 28.864 0.129 1 1152 127 127 PRO CD C 51.171 0.000 1 1153 128 128 GLU H H 8.851 0.005 1 1154 128 128 GLU HA H 4.147 0.014 1 1155 128 128 GLU HB2 H 2.121 0.012 2 1156 128 128 GLU HG2 H 3.242 0.019 2 1157 128 128 GLU HG3 H 2.367 0.000 2 1158 128 128 GLU C C 180.074 0.012 1 1159 128 128 GLU CA C 61.484 0.076 1 1160 128 128 GLU CB C 29.747 0.058 1 1161 128 128 GLU CG C 37.676 0.000 1 1162 128 128 GLU N N 121.907 0.056 1 1163 129 129 THR H H 8.154 0.010 1 1164 129 129 THR HA H 4.629 0.000 1 1165 129 129 THR HB H 3.934 0.008 1 1166 129 129 THR HG2 H 1.095 0.000 1 1167 129 129 THR C C 177.911 0.030 1 1168 129 129 THR CA C 67.596 0.049 1 1169 129 129 THR CB C 69.433 0.091 1 1170 129 129 THR CG2 C 23.188 0.000 1 1171 129 129 THR N N 119.370 0.031 1 1172 130 130 MET H H 8.069 0.000 1 1173 130 130 MET HE H 1.903 0.000 1 1174 130 130 MET C C 178.637 0.000 1 1175 130 130 MET N N 120.230 0.000 1 1176 131 131 THR HA H 3.771 0.012 1 1177 131 131 THR HG2 H 1.221 0.018 1 1178 131 131 THR C C 176.832 0.000 1 1179 131 131 THR CA C 69.126 0.054 1 1180 131 131 THR CG2 C 21.838 0.042 1 1181 132 132 GLN H H 7.823 0.001 1 1182 132 132 GLN HA H 3.965 0.017 1 1183 132 132 GLN HB2 H 2.186 0.091 2 1184 132 132 GLN HG2 H 2.537 0.011 2 1185 132 132 GLN C C 180.153 0.000 1 1186 132 132 GLN CA C 60.239 0.025 1 1187 132 132 GLN CB C 29.412 0.143 1 1188 132 132 GLN CG C 34.833 0.056 1 1189 132 132 GLN N N 119.581 0.026 1 1190 133 133 ARG H H 8.122 0.038 1 1191 133 133 ARG HA H 4.049 0.010 1 1192 133 133 ARG HB2 H 2.122 0.000 2 1193 133 133 ARG HG2 H 1.935 0.018 2 1194 133 133 ARG HG3 H 1.644 0.007 2 1195 133 133 ARG HD2 H 3.189 0.024 2 1196 133 133 ARG CA C 61.041 0.003 1 1197 133 133 ARG CB C 31.561 0.078 1 1198 133 133 ARG CG C 28.389 0.094 1 1199 133 133 ARG CD C 45.154 0.082 1 1200 133 133 ARG N N 119.365 0.138 1 1201 134 134 LEU H H 8.242 0.001 1 1202 134 134 LEU HA H 4.223 0.017 1 1203 134 134 LEU HB2 H 1.887 0.006 2 1204 134 134 LEU HB3 H 1.774 0.010 2 1205 134 134 LEU HG H 0.976 0.011 1 1206 134 134 LEU HD1 H 0.774 0.013 2 1207 134 134 LEU C C 181.543 0.000 1 1208 134 134 LEU CA C 58.989 0.024 1 1209 134 134 LEU CB C 43.130 0.023 1 1210 134 134 LEU CG C 26.898 0.060 1 1211 134 134 LEU CD1 C 23.314 0.015 2 1212 134 134 LEU CD2 C 22.127 0.000 2 1213 134 134 LEU N N 120.832 0.036 1 1214 135 135 LEU H H 8.549 0.009 1 1215 135 135 LEU HB2 H 1.869 0.005 2 1216 135 135 LEU HB3 H 1.547 0.007 2 1217 135 135 LEU HD1 H 0.859 0.000 2 1218 135 135 LEU C C 180.827 0.004 1 1219 135 135 LEU CA C 58.810 0.000 1 1220 135 135 LEU CB C 43.117 0.037 1 1221 135 135 LEU CG C 27.125 0.000 1 1222 135 135 LEU CD1 C 24.703 0.000 2 1223 135 135 LEU N N 122.970 0.018 1 1224 136 136 LYS H H 7.792 0.003 1 1225 136 136 LYS HA H 4.209 0.023 1 1226 136 136 LYS HB2 H 1.991 0.021 2 1227 136 136 LYS HB3 H 1.739 0.000 2 1228 136 136 LYS HG2 H 1.566 0.023 2 1229 136 136 LYS HD2 H 1.572 0.000 2 1230 136 136 LYS HE2 H 3.003 0.016 2 1231 136 136 LYS C C 179.657 0.000 1 1232 136 136 LYS CA C 59.156 0.006 1 1233 136 136 LYS CB C 33.205 0.058 1 1234 136 136 LYS CG C 26.185 0.074 1 1235 136 136 LYS CD C 29.867 0.117 1 1236 136 136 LYS CE C 43.212 0.105 1 1237 136 136 LYS N N 119.955 0.033 1 1238 137 137 ARG H H 7.895 0.029 1 1239 137 137 ARG HA H 4.233 0.020 1 1240 137 137 ARG HB2 H 1.948 0.014 2 1241 137 137 ARG HB3 H 2.426 0.137 2 1242 137 137 ARG HG2 H 1.553 0.000 2 1243 137 137 ARG HD2 H 3.249 0.027 2 1244 137 137 ARG HD3 H 3.053 0.021 2 1245 137 137 ARG C C 179.398 0.043 1 1246 137 137 ARG CA C 53.484 0.069 1 1247 137 137 ARG CB C 31.797 0.060 1 1248 137 137 ARG CG C 27.954 0.049 1 1249 137 137 ARG CD C 45.266 0.044 1 1250 137 137 ARG N N 120.146 0.114 1 1251 138 138 GLY H H 8.033 0.003 1 1252 138 138 GLY HA2 H 4.763 0.001 2 1253 138 138 GLY HA3 H 4.022 0.015 2 1254 138 138 GLY C C 176.199 0.010 1 1255 138 138 GLY CA C 47.513 0.048 1 1256 138 138 GLY N N 108.314 0.019 1 1257 139 139 GLU H H 8.044 0.007 1 1258 139 139 GLU HA H 4.256 0.008 1 1259 139 139 GLU HB2 H 2.140 0.002 2 1260 139 139 GLU HG2 H 2.415 0.003 2 1261 139 139 GLU C C 179.360 0.049 1 1262 139 139 GLU CA C 59.318 0.028 1 1263 139 139 GLU CB C 31.218 0.076 1 1264 139 139 GLU CG C 37.465 0.025 1 1265 139 139 GLU N N 121.751 0.040 1 1266 140 140 THR H H 8.132 0.005 1 1267 140 140 THR HA H 4.462 0.097 1 1268 140 140 THR HB H 4.355 0.016 1 1269 140 140 THR HG1 H 4.714 0.048 1 1270 140 140 THR HG2 H 1.278 0.015 1 1271 140 140 THR C C 176.472 0.003 1 1272 140 140 THR CA C 64.121 0.028 1 1273 140 140 THR CB C 70.564 0.107 1 1274 140 140 THR CG2 C 22.774 0.118 1 1275 140 140 THR N N 112.977 0.031 1 1276 141 141 SER H H 8.133 0.005 1 1277 141 141 SER HA H 4.753 0.019 1 1278 141 141 SER HB2 H 4.478 0.005 2 1279 141 141 SER HB3 H 3.972 0.012 2 1280 141 141 SER C C 176.335 0.028 1 1281 141 141 SER CA C 60.114 0.097 1 1282 141 141 SER CB C 65.175 0.132 1 1283 141 141 SER N N 117.421 0.025 1 1284 142 142 GLY H H 8.229 0.005 1 1285 142 142 GLY HA2 H 4.088 0.006 2 1286 142 142 GLY HA3 H 3.905 0.010 2 1287 142 142 GLY C C 175.257 0.005 1 1288 142 142 GLY CA C 46.838 0.025 1 1289 142 142 GLY N N 111.374 0.036 1 1290 143 143 ARG H H 8.164 0.003 1 1291 143 143 ARG HA H 4.457 0.016 1 1292 143 143 ARG HB2 H 1.900 0.021 2 1293 143 143 ARG HB3 H 1.735 0.006 2 1294 143 143 ARG HG2 H 1.593 0.006 2 1295 143 143 ARG HD2 H 3.225 0.016 2 1296 143 143 ARG C C 177.792 0.030 1 1297 143 143 ARG CA C 56.912 0.050 1 1298 143 143 ARG CB C 31.951 0.024 1 1299 143 143 ARG CG C 28.345 0.004 1 1300 143 143 ARG CD C 44.462 0.000 1 1301 143 143 ARG N N 121.489 0.053 1 1302 144 144 VAL H H 8.272 0.028 1 1303 144 144 VAL HA H 4.142 0.016 1 1304 144 144 VAL HB H 2.177 0.017 1 1305 144 144 VAL HG1 H 1.033 0.108 2 1306 144 144 VAL HG2 H 0.960 0.014 2 1307 144 144 VAL C C 177.166 0.020 1 1308 144 144 VAL CA C 63.852 0.095 1 1309 144 144 VAL CB C 33.525 0.076 1 1310 144 144 VAL CG1 C 22.334 0.051 2 1311 144 144 VAL CG2 C 21.160 0.073 2 1312 144 144 VAL N N 121.550 0.031 1 1313 145 145 ASP H H 8.399 0.004 1 1314 145 145 ASP HA H 4.602 0.009 1 1315 145 145 ASP HB2 H 2.658 0.016 2 1316 145 145 ASP C C 177.067 0.028 1 1317 145 145 ASP CA C 55.642 0.121 1 1318 145 145 ASP CB C 42.032 0.123 1 1319 145 145 ASP N N 122.201 0.044 1 1320 146 146 ASP H H 7.878 0.002 1 1321 146 146 ASP HA H 4.760 0.014 1 1322 146 146 ASP HB2 H 2.613 0.014 2 1323 146 146 ASP C C 176.472 0.015 1 1324 146 146 ASP CA C 55.304 0.036 1 1325 146 146 ASP CB C 42.786 0.181 1 1326 146 146 ASP N N 121.005 0.030 1 1327 147 147 ASN H H 8.163 0.007 1 1328 147 147 ASN HA H 4.713 0.015 1 1329 147 147 ASN HB2 H 3.119 0.017 2 1330 147 147 ASN HB3 H 2.962 0.016 2 1331 147 147 ASN C C 176.321 0.017 1 1332 147 147 ASN CA C 53.520 0.072 1 1333 147 147 ASN CB C 39.581 0.062 1 1334 147 147 ASN N N 118.730 0.054 1 1335 148 148 GLU H H 8.997 0.010 1 1336 148 148 GLU HA H 3.807 0.016 1 1337 148 148 GLU HB2 H 2.093 0.002 2 1338 148 148 GLU HG2 H 2.552 0.036 2 1339 148 148 GLU HG3 H 2.293 0.004 2 1340 148 148 GLU C C 178.706 0.015 1 1341 148 148 GLU CA C 61.839 0.040 1 1342 148 148 GLU CB C 30.710 0.054 1 1343 148 148 GLU CG C 38.005 0.012 1 1344 148 148 GLU N N 120.477 0.018 1 1345 149 149 GLU H H 8.343 0.004 1 1346 149 149 GLU HA H 4.280 0.011 1 1347 149 149 GLU HB2 H 2.260 0.002 2 1348 149 149 GLU HG2 H 2.589 0.000 2 1349 149 149 GLU C C 180.366 0.000 1 1350 149 149 GLU CA C 60.705 0.021 1 1351 149 149 GLU CB C 30.488 0.012 1 1352 149 149 GLU CG C 37.563 0.000 1 1353 149 149 GLU N N 119.220 0.040 1 1354 150 150 THR H H 8.248 0.005 1 1355 150 150 THR HA H 4.026 0.013 1 1356 150 150 THR HB H 3.613 0.000 1 1357 150 150 THR HG2 H 1.344 0.016 1 1358 150 150 THR C C 178.827 0.025 1 1359 150 150 THR CA C 67.145 0.068 1 1360 150 150 THR CB C 69.732 0.085 1 1361 150 150 THR CG2 C 23.227 0.051 1 1362 150 150 THR N N 116.582 0.037 1 1363 151 151 ILE H H 8.357 0.002 1 1364 151 151 ILE HA H 3.600 0.030 1 1365 151 151 ILE HB H 2.296 0.000 1 1366 151 151 ILE HG12 H 1.913 0.014 2 1367 151 151 ILE HG13 H 1.749 0.000 2 1368 151 151 ILE HG2 H 1.035 0.013 1 1369 151 151 ILE HD1 H 0.765 0.009 1 1370 151 151 ILE C C 178.615 0.002 1 1371 151 151 ILE CA C 66.833 0.091 1 1372 151 151 ILE CB C 38.990 0.070 1 1373 151 151 ILE CG1 C 30.916 0.000 1 1374 151 151 ILE CG2 C 20.473 0.049 1 1375 151 151 ILE CD1 C 14.934 0.000 1 1376 151 151 ILE N N 125.074 0.039 1 1377 152 152 LYS H H 8.352 0.010 1 1378 152 152 LYS HA H 3.969 0.011 1 1379 152 152 LYS HB2 H 2.002 0.006 2 1380 152 152 LYS HB3 H 1.974 0.012 2 1381 152 152 LYS HD2 H 1.715 0.000 2 1382 152 152 LYS HD3 H 1.458 0.000 2 1383 152 152 LYS HE2 H 3.444 0.002 2 1384 152 152 LYS HE3 H 3.003 0.001 2 1385 152 152 LYS C C 180.792 0.041 1 1386 152 152 LYS CA C 61.769 0.082 1 1387 152 152 LYS CB C 33.231 0.057 1 1388 152 152 LYS CG C 26.998 0.044 1 1389 152 152 LYS CD C 30.643 0.000 1 1390 152 152 LYS CE C 43.109 0.078 1 1391 152 152 LYS N N 120.604 0.048 1 1392 153 153 LYS H H 7.757 0.004 1 1393 153 153 LYS HA H 4.252 0.017 1 1394 153 153 LYS HB2 H 2.013 0.009 2 1395 153 153 LYS HB3 H 1.749 0.000 2 1396 153 153 LYS HG2 H 1.217 0.000 2 1397 153 153 LYS HG3 H 1.005 0.000 2 1398 153 153 LYS HE2 H 3.025 0.000 2 1399 153 153 LYS HZ H 7.058 0.000 1 1400 153 153 LYS C C 180.328 0.055 1 1401 153 153 LYS CA C 60.182 0.112 1 1402 153 153 LYS CB C 33.270 0.150 1 1403 153 153 LYS CG C 26.169 0.031 1 1404 153 153 LYS CD C 29.936 0.000 1 1405 153 153 LYS CE C 43.197 0.132 1 1406 153 153 LYS N N 119.388 0.085 1 1407 154 154 ARG H H 8.132 0.004 1 1408 154 154 ARG HA H 4.154 0.015 1 1409 154 154 ARG HB2 H 2.066 0.021 2 1410 154 154 ARG HD2 H 3.147 0.018 2 1411 154 154 ARG C C 180.837 0.000 1 1412 154 154 ARG CA C 60.696 0.024 1 1413 154 154 ARG CB C 31.546 0.031 1 1414 154 154 ARG CG C 28.595 0.000 1 1415 154 154 ARG CD C 45.381 0.000 1 1416 154 154 ARG N N 122.541 0.040 1 1417 155 155 LEU H H 8.587 0.007 1 1418 155 155 LEU HA H 4.097 0.008 1 1419 155 155 LEU HB2 H 1.700 0.000 2 1420 155 155 LEU HB3 H 1.598 0.007 2 1421 155 155 LEU HG H 1.321 0.002 1 1422 155 155 LEU HD1 H 0.936 0.000 2 1423 155 155 LEU C C 179.094 0.016 1 1424 155 155 LEU CA C 59.155 0.000 1 1425 155 155 LEU CB C 42.280 0.016 1 1426 155 155 LEU CG C 27.914 0.000 1 1427 155 155 LEU CD1 C 24.312 0.000 2 1428 155 155 LEU N N 121.743 0.013 1 1429 156 156 GLU H H 8.471 0.003 1 1430 156 156 GLU HG2 H 2.563 0.000 2 1431 156 156 GLU HG3 H 2.315 0.000 2 1432 156 156 GLU C C 180.878 0.060 1 1433 156 156 GLU CA C 61.275 0.067 1 1434 156 156 GLU CB C 30.858 0.000 1 1435 156 156 GLU CG C 37.686 0.000 1 1436 156 156 GLU N N 120.990 0.036 1 1437 157 157 THR H H 8.290 0.002 1 1438 157 157 THR HA H 4.344 0.008 1 1439 157 157 THR HB H 3.943 0.002 1 1440 157 157 THR HG2 H 1.365 0.008 1 1441 157 157 THR C C 177.458 0.009 1 1442 157 157 THR CA C 67.814 0.077 1 1443 157 157 THR CB C 70.124 0.000 1 1444 157 157 THR CG2 C 22.982 0.000 1 1445 157 157 THR N N 116.324 0.047 1 1446 158 158 TYR H H 7.944 0.001 1 1447 158 158 TYR HA H 4.256 0.014 1 1448 158 158 TYR HB2 H 3.183 0.019 2 1449 158 158 TYR HE1 H 6.660 0.021 3 1450 158 158 TYR C C 179.942 0.027 1 1451 158 158 TYR CA C 63.312 0.042 1 1452 158 158 TYR CB C 38.691 0.051 1 1453 158 158 TYR N N 124.162 0.050 1 1454 159 159 TYR H H 9.050 0.003 1 1455 159 159 TYR HA H 4.060 0.019 1 1456 159 159 TYR HB2 H 3.295 0.001 2 1457 159 159 TYR HB3 H 3.097 0.007 2 1458 159 159 TYR HD1 H 7.296 0.000 3 1459 159 159 TYR C C 179.780 0.000 1 1460 159 159 TYR CA C 63.787 0.044 1 1461 159 159 TYR CB C 38.681 0.070 1 1462 159 159 TYR N N 123.155 0.034 1 1463 160 160 LYS H H 8.151 0.005 1 1464 160 160 LYS HA H 4.124 0.009 1 1465 160 160 LYS HB2 H 1.962 0.014 2 1466 160 160 LYS HE2 H 3.042 0.004 2 1467 160 160 LYS C C 180.093 0.000 1 1468 160 160 LYS CA C 60.272 0.065 1 1469 160 160 LYS CB C 33.549 0.017 1 1470 160 160 LYS CG C 26.498 0.052 1 1471 160 160 LYS CD C 30.247 0.000 1 1472 160 160 LYS CE C 43.215 0.128 1 1473 160 160 LYS N N 119.332 0.040 1 1474 161 161 ALA H H 7.559 0.005 1 1475 161 161 ALA HA H 4.246 0.015 1 1476 161 161 ALA HB H 1.516 0.017 1 1477 161 161 ALA C C 180.393 0.000 1 1478 161 161 ALA CA C 55.033 0.000 1 1479 161 161 ALA CB C 20.193 0.032 1 1480 161 161 ALA N N 119.435 0.023 1 1481 162 162 THR H H 7.822 0.006 1 1482 162 162 THR HA H 3.774 0.025 1 1483 162 162 THR HB H 3.576 0.009 1 1484 162 162 THR HG2 H 1.027 0.022 1 1485 162 162 THR C C 176.844 0.017 1 1486 162 162 THR CA C 66.734 0.047 1 1487 162 162 THR CB C 70.478 0.080 1 1488 162 162 THR CG2 C 22.736 0.113 1 1489 162 162 THR N N 113.465 0.033 1 1490 163 163 GLU H H 8.292 0.002 1 1491 163 163 GLU HA H 4.013 0.007 1 1492 163 163 GLU HB2 H 2.192 0.007 2 1493 163 163 GLU HG2 H 2.528 0.000 2 1494 163 163 GLU C C 177.107 0.000 1 1495 163 163 GLU N N 124.852 0.041 1 1496 164 164 PRO HA H 4.408 0.002 1 1497 164 164 PRO HB2 H 2.375 0.000 2 1498 164 164 PRO HD2 H 3.626 0.026 2 1499 164 164 PRO C C 180.883 0.000 1 1500 164 164 PRO CA C 66.873 0.103 1 1501 164 164 PRO CB C 32.578 0.104 1 1502 164 164 PRO CG C 29.315 0.000 1 1503 164 164 PRO CD C 51.910 0.000 1 1504 165 165 VAL H H 7.057 0.006 1 1505 165 165 VAL HA H 3.454 0.020 1 1506 165 165 VAL HB H 2.336 0.008 1 1507 165 165 VAL HG1 H 0.852 0.000 2 1508 165 165 VAL HG2 H 0.680 0.009 2 1509 165 165 VAL C C 178.091 0.016 1 1510 165 165 VAL CA C 67.644 0.066 1 1511 165 165 VAL CB C 33.288 0.000 1 1512 165 165 VAL CG1 C 23.194 0.000 2 1513 165 165 VAL CG2 C 21.990 0.190 2 1514 165 165 VAL N N 119.690 0.047 1 1515 166 166 ILE H H 7.756 0.003 1 1516 166 166 ILE HA H 3.580 0.016 1 1517 166 166 ILE HB H 2.043 0.013 1 1518 166 166 ILE HG12 H 1.235 0.018 2 1519 166 166 ILE HG13 H 0.730 0.023 2 1520 166 166 ILE HG2 H 0.819 0.005 1 1521 166 166 ILE HD1 H 0.120 0.014 1 1522 166 166 ILE C C 179.277 0.000 1 1523 166 166 ILE CA C 64.012 0.109 1 1524 166 166 ILE CB C 36.339 0.094 1 1525 166 166 ILE CG1 C 27.738 0.004 1 1526 166 166 ILE CG2 C 18.653 0.063 1 1527 166 166 ILE CD1 C 10.682 0.033 1 1528 166 166 ILE N N 119.340 0.039 1 1529 167 167 ALA H H 8.164 0.003 1 1530 167 167 ALA HA H 4.162 0.013 1 1531 167 167 ALA HB H 1.449 0.015 1 1532 167 167 ALA C C 181.253 0.043 1 1533 167 167 ALA CA C 56.298 0.060 1 1534 167 167 ALA CB C 19.352 0.056 1 1535 167 167 ALA N N 120.842 0.023 1 1536 168 168 PHE H H 7.673 0.015 1 1537 168 168 PHE HA H 4.132 0.011 1 1538 168 168 PHE HB2 H 3.111 0.007 2 1539 168 168 PHE HZ H 6.306 0.001 1 1540 168 168 PHE C C 179.097 0.029 1 1541 168 168 PHE CA C 62.172 0.057 1 1542 168 168 PHE CB C 40.969 0.047 1 1543 168 168 PHE N N 119.372 0.026 1 1544 169 169 TYR H H 7.812 0.005 1 1545 169 169 TYR HA H 4.210 0.006 1 1546 169 169 TYR HB2 H 2.977 0.015 2 1547 169 169 TYR HB3 H 2.563 0.022 2 1548 169 169 TYR C C 179.775 0.044 1 1549 169 169 TYR CA C 63.994 0.029 1 1550 169 169 TYR CB C 39.747 0.030 1 1551 169 169 TYR N N 116.728 0.044 1 1552 170 170 GLU H H 9.392 0.007 1 1553 170 170 GLU HA H 4.266 0.037 1 1554 170 170 GLU HB2 H 2.065 0.006 2 1555 170 170 GLU HG2 H 2.354 0.000 2 1556 170 170 GLU C C 182.018 0.065 1 1557 170 170 GLU CA C 60.881 0.102 1 1558 170 170 GLU CB C 30.589 0.065 1 1559 170 170 GLU CG C 37.715 0.065 1 1560 170 170 GLU N N 127.270 0.035 1 1561 171 171 LYS H H 7.297 0.008 1 1562 171 171 LYS HA H 4.253 0.018 1 1563 171 171 LYS HB2 H 1.963 0.000 2 1564 171 171 LYS HE2 H 2.417 0.016 2 1565 171 171 LYS C C 178.968 0.039 1 1566 171 171 LYS CA C 60.171 0.128 1 1567 171 171 LYS CB C 33.191 0.068 1 1568 171 171 LYS CG C 26.239 0.000 1 1569 171 171 LYS CD C 30.100 0.000 1 1570 171 171 LYS CE C 43.312 0.000 1 1571 171 171 LYS N N 119.491 0.042 1 1572 172 172 ARG H H 6.942 0.028 1 1573 172 172 ARG HA H 4.345 0.004 1 1574 172 172 ARG HB2 H 2.221 0.007 2 1575 172 172 ARG HB3 H 1.916 0.005 2 1576 172 172 ARG HD2 H 3.060 0.000 2 1577 172 172 ARG C C 178.145 0.044 1 1578 172 172 ARG CA C 56.852 0.064 1 1579 172 172 ARG CB C 32.678 0.122 1 1580 172 172 ARG N N 115.498 0.063 1 1581 173 173 GLY H H 7.860 0.005 1 1582 173 173 GLY HA2 H 4.244 0.007 2 1583 173 173 GLY HA3 H 4.091 0.016 2 1584 173 173 GLY C C 177.683 0.022 1 1585 173 173 GLY CA C 47.380 0.045 1 1586 173 173 GLY N N 107.201 0.029 1 1587 174 174 ILE H H 6.861 0.013 1 1588 174 174 ILE HA H 4.586 0.011 1 1589 174 174 ILE HB H 2.294 0.017 1 1590 174 174 ILE HG12 H 1.171 0.000 2 1591 174 174 ILE HG13 H 1.139 0.000 2 1592 174 174 ILE HG2 H 0.848 0.010 1 1593 174 174 ILE HD1 H 0.597 0.022 1 1594 174 174 ILE C C 175.829 0.007 1 1595 174 174 ILE CA C 62.736 0.098 1 1596 174 174 ILE CB C 40.675 0.124 1 1597 174 174 ILE CG1 C 27.894 0.014 1 1598 174 174 ILE CG2 C 18.481 0.047 1 1599 174 174 ILE CD1 C 16.422 0.029 1 1600 174 174 ILE N N 109.342 0.025 1 1601 175 175 VAL H H 7.940 0.010 1 1602 175 175 VAL HA H 4.676 0.027 1 1603 175 175 VAL HB H 2.133 0.014 1 1604 175 175 VAL HG1 H 1.074 0.016 2 1605 175 175 VAL HG2 H 0.936 0.000 2 1606 175 175 VAL C C 178.340 0.030 1 1607 175 175 VAL CA C 64.155 0.041 1 1608 175 175 VAL CB C 33.564 0.018 1 1609 175 175 VAL CG1 C 24.930 0.001 2 1610 175 175 VAL CG2 C 22.389 0.071 2 1611 175 175 VAL N N 123.466 0.028 1 1612 176 176 ARG H H 9.090 0.012 1 1613 176 176 ARG HA H 4.541 0.005 1 1614 176 176 ARG HG2 H 1.487 0.005 2 1615 176 176 ARG HD2 H 3.293 0.000 2 1616 176 176 ARG C C 175.215 0.000 1 1617 176 176 ARG CA C 53.780 0.084 1 1618 176 176 ARG CB C 30.154 0.068 1 1619 176 176 ARG CD C 42.977 0.000 1 1620 176 176 ARG N N 129.824 0.019 1 1621 177 177 LYS H H 8.875 0.002 1 1622 177 177 LYS HA H 5.012 0.023 1 1623 177 177 LYS HB2 H 1.960 0.007 2 1624 177 177 LYS HB3 H 1.808 0.012 2 1625 177 177 LYS HG2 H 1.542 0.020 2 1626 177 177 LYS HG3 H 1.307 0.018 2 1627 177 177 LYS HD3 H 1.300 0.000 2 1628 177 177 LYS HE2 H 2.872 0.039 2 1629 177 177 LYS C C 177.343 0.018 1 1630 177 177 LYS CA C 57.426 0.075 1 1631 177 177 LYS CB C 34.504 0.012 1 1632 177 177 LYS CG C 27.256 0.034 1 1633 177 177 LYS CD C 30.419 0.063 1 1634 177 177 LYS CE C 43.074 0.102 1 1635 177 177 LYS N N 125.456 0.024 1 1636 178 178 VAL H H 9.074 0.007 1 1637 178 178 VAL HA H 4.315 0.011 1 1638 178 178 VAL HB H 1.993 0.014 1 1639 178 178 VAL HG1 H 0.879 0.016 2 1640 178 178 VAL HG2 H 0.635 0.012 2 1641 178 178 VAL C C 175.146 0.020 1 1642 178 178 VAL CA C 61.686 0.048 1 1643 178 178 VAL CB C 35.419 0.087 1 1644 178 178 VAL CG1 C 23.404 0.021 2 1645 178 178 VAL CG2 C 22.227 0.011 2 1646 178 178 VAL N N 125.657 0.039 1 1647 179 179 ASN H H 8.925 0.005 1 1648 179 179 ASN HA H 4.923 0.017 1 1649 179 179 ASN HB2 H 3.077 0.014 2 1650 179 179 ASN HB3 H 2.888 0.014 2 1651 179 179 ASN HD21 H 7.514 0.000 2 1652 179 179 ASN HD22 H 7.207 0.000 2 1653 179 179 ASN C C 176.995 0.000 1 1654 179 179 ASN CA C 54.427 0.068 1 1655 179 179 ASN CB C 39.408 0.054 1 1656 179 179 ASN N N 126.411 0.035 1 1657 180 180 ALA H H 8.293 0.008 1 1658 180 180 ALA HA H 4.580 0.008 1 1659 180 180 ALA HB H 1.260 0.013 1 1660 180 180 ALA C C 177.629 0.000 1 1661 180 180 ALA CA C 52.462 0.036 1 1662 180 180 ALA CB C 20.523 0.159 1 1663 180 180 ALA N N 129.830 0.033 1 1664 181 181 GLU H H 8.245 0.004 1 1665 181 181 GLU HA H 4.246 0.006 1 1666 181 181 GLU HB2 H 2.066 0.004 2 1667 181 181 GLU HG2 H 2.316 0.019 2 1668 181 181 GLU C C 177.089 0.016 1 1669 181 181 GLU CA C 58.471 0.061 1 1670 181 181 GLU CB C 31.157 0.048 1 1671 181 181 GLU CG C 37.610 0.013 1 1672 181 181 GLU N N 120.833 0.027 1 1673 182 182 GLY H H 7.932 0.002 1 1674 182 182 GLY HA2 H 4.068 0.017 2 1675 182 182 GLY HA3 H 3.938 0.015 2 1676 182 182 GLY C C 174.142 0.018 1 1677 182 182 GLY CA C 45.089 0.071 1 1678 182 182 GLY N N 108.601 0.040 1 1679 183 183 SER H H 8.468 0.003 1 1680 183 183 SER HA H 4.403 0.014 1 1681 183 183 SER HB2 H 4.039 0.011 2 1682 183 183 SER HG H 4.760 0.001 1 1683 183 183 SER C C 176.404 0.010 1 1684 183 183 SER CA C 58.603 0.058 1 1685 183 183 SER CB C 66.157 0.123 1 1686 183 183 SER N N 116.100 0.047 1 1687 184 184 VAL H H 8.732 0.007 1 1688 184 184 VAL HA H 3.582 0.019 1 1689 184 184 VAL HB H 2.033 0.018 1 1690 184 184 VAL HG1 H 1.089 0.016 2 1691 184 184 VAL HG2 H 0.913 0.019 2 1692 184 184 VAL C C 179.634 0.091 1 1693 184 184 VAL CA C 67.671 0.075 1 1694 184 184 VAL CB C 32.060 0.083 1 1695 184 184 VAL CG1 C 23.218 0.038 2 1696 184 184 VAL CG2 C 22.186 0.034 2 1697 184 184 VAL N N 121.841 0.032 1 1698 185 185 ASP H H 8.224 0.005 1 1699 185 185 ASP HA H 4.619 0.011 1 1700 185 185 ASP HB2 H 2.594 0.080 2 1701 185 185 ASP HB3 H 2.372 0.087 2 1702 185 185 ASP C C 179.817 0.000 1 1703 185 185 ASP CA C 58.520 0.072 1 1704 185 185 ASP CB C 41.795 0.078 1 1705 185 185 ASP N N 118.956 0.028 1 1706 186 186 SER H H 8.063 0.008 1 1707 186 186 SER HA H 4.346 0.013 1 1708 186 186 SER HB2 H 4.091 0.017 2 1709 186 186 SER HB3 H 4.091 0.017 2 1710 186 186 SER C C 179.276 0.055 1 1711 186 186 SER CA C 62.661 0.063 1 1712 186 186 SER CB C 63.973 0.073 1 1713 186 186 SER N N 120.356 0.058 1 1714 187 187 VAL H H 8.307 0.004 1 1715 187 187 VAL HA H 3.645 0.019 1 1716 187 187 VAL HB H 2.210 0.114 1 1717 187 187 VAL HG1 H 1.012 0.012 2 1718 187 187 VAL HG2 H 0.810 0.015 2 1719 187 187 VAL C C 179.446 0.019 1 1720 187 187 VAL CA C 67.909 0.051 1 1721 187 187 VAL CB C 33.201 0.101 1 1722 187 187 VAL CG1 C 23.954 0.033 2 1723 187 187 VAL CG2 C 22.314 0.027 2 1724 187 187 VAL N N 125.922 0.030 1 1725 188 188 PHE H H 8.559 0.013 1 1726 188 188 PHE HA H 4.802 0.026 1 1727 188 188 PHE HB2 H 3.085 0.013 2 1728 188 188 PHE HD1 H 7.108 0.000 3 1729 188 188 PHE HE1 H 7.823 0.000 3 1730 188 188 PHE HE2 H 7.572 0.000 3 1731 188 188 PHE HZ H 6.480 0.137 1 1732 188 188 PHE C C 179.736 0.000 1 1733 188 188 PHE CA C 61.832 0.035 1 1734 188 188 PHE CB C 39.845 0.019 1 1735 188 188 PHE N N 121.446 0.065 1 1736 189 189 SER H H 8.299 0.001 1 1737 189 189 SER HA H 4.013 0.005 1 1738 189 189 SER C C 178.439 0.000 1 1739 189 189 SER CA C 63.625 0.011 1 1740 189 189 SER N N 115.921 0.043 1 1741 190 190 GLN H H 7.271 0.008 1 1742 190 190 GLN HA H 4.062 0.023 1 1743 190 190 GLN HG2 H 2.631 0.018 2 1744 190 190 GLN HG3 H 2.384 0.035 2 1745 190 190 GLN C C 179.402 0.054 1 1746 190 190 GLN CA C 59.996 0.027 1 1747 190 190 GLN CB C 31.801 0.019 1 1748 190 190 GLN CG C 35.923 0.052 1 1749 190 190 GLN N N 120.741 0.027 1 1750 191 191 VAL H H 7.979 0.007 1 1751 191 191 VAL HA H 4.051 0.031 1 1752 191 191 VAL HB H 2.082 0.039 1 1753 191 191 VAL HG1 H 1.209 0.016 2 1754 191 191 VAL HG2 H 0.962 0.011 2 1755 191 191 VAL C C 179.051 0.018 1 1756 191 191 VAL CA C 68.781 0.074 1 1757 191 191 VAL CB C 32.787 0.000 1 1758 191 191 VAL CG1 C 24.514 0.000 2 1759 191 191 VAL CG2 C 23.446 0.041 2 1760 191 191 VAL N N 120.991 0.049 1 1761 192 192 CYS H H 8.295 0.004 1 1762 192 192 CYS HA H 4.031 0.000 1 1763 192 192 CYS HB2 H 2.571 0.020 2 1764 192 192 CYS C C 177.163 0.020 1 1765 192 192 CYS CA C 64.237 0.000 1 1766 192 192 CYS CB C 27.703 0.047 1 1767 192 192 CYS N N 116.627 0.069 1 1768 193 193 THR H H 7.397 0.009 1 1769 193 193 THR HA H 3.885 0.012 1 1770 193 193 THR HG2 H 1.088 0.016 1 1771 193 193 THR C C 177.843 0.017 1 1772 193 193 THR CA C 67.609 0.075 1 1773 193 193 THR CB C 69.587 0.030 1 1774 193 193 THR CG2 C 22.584 0.082 1 1775 193 193 THR N N 115.934 0.039 1 1776 194 194 HIS H H 6.934 0.010 1 1777 194 194 HIS HA H 4.674 0.002 1 1778 194 194 HIS C C 179.621 0.042 1 1779 194 194 HIS CA C 59.178 0.054 1 1780 194 194 HIS CB C 32.133 0.039 1 1781 194 194 HIS N N 118.887 0.040 1 1782 195 195 LEU H H 8.078 0.006 1 1783 195 195 LEU HA H 3.981 0.022 1 1784 195 195 LEU HB2 H 1.517 0.009 2 1785 195 195 LEU HD1 H 0.808 0.001 2 1786 195 195 LEU HD2 H 0.490 0.003 2 1787 195 195 LEU C C 181.512 0.000 1 1788 195 195 LEU CA C 58.483 0.101 1 1789 195 195 LEU CB C 41.014 0.067 1 1790 195 195 LEU CG C 29.622 0.084 1 1791 195 195 LEU CD1 C 24.098 0.000 2 1792 195 195 LEU N N 120.066 0.047 1 1793 196 196 ASP H H 9.124 0.003 1 1794 196 196 ASP HA H 4.557 0.003 1 1795 196 196 ASP HB2 H 2.728 0.022 2 1796 196 196 ASP C C 178.488 0.000 1 1797 196 196 ASP CA C 57.870 0.055 1 1798 196 196 ASP CB C 40.911 0.039 1 1799 196 196 ASP N N 121.926 0.022 1 1800 197 197 ALA H H 6.917 0.006 1 1801 197 197 ALA HA H 4.343 0.007 1 1802 197 197 ALA HB H 1.553 0.025 1 1803 197 197 ALA C C 178.993 0.048 1 1804 197 197 ALA CA C 54.007 0.065 1 1805 197 197 ALA CB C 20.131 0.115 1 1806 197 197 ALA N N 119.733 0.037 1 1807 198 198 LEU H H 7.261 0.006 1 1808 198 198 LEU HA H 4.320 0.003 1 1809 198 198 LEU HB2 H 1.919 0.015 2 1810 198 198 LEU HB3 H 1.546 0.016 2 1811 198 198 LEU HD1 H 0.859 0.020 2 1812 198 198 LEU C C 177.326 0.017 1 1813 198 198 LEU CA C 56.131 0.032 1 1814 198 198 LEU CB C 42.767 0.009 1 1815 198 198 LEU CG C 27.210 0.000 1 1816 198 198 LEU CD1 C 24.158 0.000 2 1817 198 198 LEU N N 118.999 0.030 1 1818 199 199 LYS H H 7.840 0.002 1 1819 199 199 LYS HA H 4.126 0.002 1 1820 199 199 LYS CA C 59.172 0.000 1 1821 199 199 LYS CB C 34.525 0.000 1 1822 199 199 LYS N N 127.747 0.020 1 stop_ save_