data_27151 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Guanylate Kinase ; _BMRB_accession_number 27151 _BMRB_flat_file_name bmr27151.str _Entry_type original _Submission_date 2017-06-21 _Accession_date 2017-06-21 _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 Sabo Michael . . 2 Khan Nazimuddin . . 3 Ban David . . 4 Trigo-Mourino Pablo . . 5 Carneiro Marta . . 6 Konrad Manfred . . 7 Lee Donghan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1137 "13C chemical shifts" 812 "15N chemical shifts" 196 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2017-09-29 original author 'original release' stop_ _Original_release_date 2017-06-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N resonance assignment of human guanylate kinase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28861857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Khan Nazimuddin . . 2 Ban David . . 3 Trigo-Mourino Pablo . . 4 Carneiro Marta . . 5 Konrad Manfred . . 6 Lee Donghan . . 7 Sabo Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11 _Page_last 14 _Year 2018 _Details . loop_ _Keyword 'NMR assignment' enzyme 'guanylate kinase (GMPK)' 'nucleotide kinase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hGMPK _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hGMPK $hGMPK 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_hGMPK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hGMPK _Molecular_mass 21862.73 _Mol_thiol_state 'all free' loop_ _Biological_function 'ATP:GMP phosphotransferase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 198 _Mol_residue_sequence ; HMSGPRPVVLSGPSGAGKST LLKRLLQEHSGIFGFSVSHT TRNPRPGEENGKDYYFVTRE VMQRDIAAGDFIEHAEFSGN LYGTSKVAVQAVQAMNRICV LDVDLQGVRNIKATDLRPIY ISVQPPSLHVLEQRLRQRNT ETEESLVKRLAAAQADMESS KEPGLFDVVIINDSLDQAYA ELKEALSEEIKKAQRTGA ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 MET 3 SER 4 GLY 5 PRO 6 ARG 7 PRO 8 VAL 9 VAL 10 LEU 11 SER 12 GLY 13 PRO 14 SER 15 GLY 16 ALA 17 GLY 18 LYS 19 SER 20 THR 21 LEU 22 LEU 23 LYS 24 ARG 25 LEU 26 LEU 27 GLN 28 GLU 29 HIS 30 SER 31 GLY 32 ILE 33 PHE 34 GLY 35 PHE 36 SER 37 VAL 38 SER 39 HIS 40 THR 41 THR 42 ARG 43 ASN 44 PRO 45 ARG 46 PRO 47 GLY 48 GLU 49 GLU 50 ASN 51 GLY 52 LYS 53 ASP 54 TYR 55 TYR 56 PHE 57 VAL 58 THR 59 ARG 60 GLU 61 VAL 62 MET 63 GLN 64 ARG 65 ASP 66 ILE 67 ALA 68 ALA 69 GLY 70 ASP 71 PHE 72 ILE 73 GLU 74 HIS 75 ALA 76 GLU 77 PHE 78 SER 79 GLY 80 ASN 81 LEU 82 TYR 83 GLY 84 THR 85 SER 86 LYS 87 VAL 88 ALA 89 VAL 90 GLN 91 ALA 92 VAL 93 GLN 94 ALA 95 MET 96 ASN 97 ARG 98 ILE 99 CYS 100 VAL 101 LEU 102 ASP 103 VAL 104 ASP 105 LEU 106 GLN 107 GLY 108 VAL 109 ARG 110 ASN 111 ILE 112 LYS 113 ALA 114 THR 115 ASP 116 LEU 117 ARG 118 PRO 119 ILE 120 TYR 121 ILE 122 SER 123 VAL 124 GLN 125 PRO 126 PRO 127 SER 128 LEU 129 HIS 130 VAL 131 LEU 132 GLU 133 GLN 134 ARG 135 LEU 136 ARG 137 GLN 138 ARG 139 ASN 140 THR 141 GLU 142 THR 143 GLU 144 GLU 145 SER 146 LEU 147 VAL 148 LYS 149 ARG 150 LEU 151 ALA 152 ALA 153 ALA 154 GLN 155 ALA 156 ASP 157 MET 158 GLU 159 SER 160 SER 161 LYS 162 GLU 163 PRO 164 GLY 165 LEU 166 PHE 167 ASP 168 VAL 169 VAL 170 ILE 171 ILE 172 ASN 173 ASP 174 SER 175 LEU 176 ASP 177 GLN 178 ALA 179 TYR 180 ALA 181 GLU 182 LEU 183 LYS 184 GLU 185 ALA 186 LEU 187 SER 188 GLU 189 GLU 190 ILE 191 LYS 192 LYS 193 ALA 194 GLN 195 ARG 196 THR 197 GLY 198 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $hGMPK Human 9606 Eukaryota Metazoa Homo sapiens GUK1 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 $hGMPK 'recombinant technology' . Escherichia coli . 'pET-14bSUMO Thr' 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 $hGMPK 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' TCEP 1 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DSS 5 uM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hGMPK 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' TCEP 1 mM 'natural abundance' 'sodium azide' 3 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 . 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hGMPK _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 HIS HA H 3.988 0.020 1 2 -1 1 HIS HB2 H 3.062 0.020 1 3 -1 1 HIS HB3 H 3.062 0.020 1 4 -1 1 HIS HD2 H 7.003 0.020 1 5 -1 1 HIS CA C 56.198 0.3 1 6 -1 1 HIS CB C 32.344 0.3 1 7 -1 1 HIS CD2 C 120.157 0.3 1 8 1 2 MET HA H 4.468 0.020 1 9 1 2 MET HB2 H 2.043 0.020 2 10 1 2 MET HB3 H 1.946 0.020 2 11 1 2 MET HG2 H 2.508 0.020 2 12 1 2 MET HG3 H 2.462 0.020 2 13 1 2 MET CA C 55.237 0.3 1 14 1 2 MET CB C 32.744 0.3 1 15 1 2 MET CG C 31.742 0.3 1 16 2 3 SER HA H 4.463 0.020 1 17 2 3 SER HB2 H 3.836 0.020 1 18 2 3 SER HB3 H 3.836 0.020 1 19 2 3 SER C C 174.361 0.3 1 20 2 3 SER CA C 57.990 0.3 1 21 2 3 SER CB C 63.501 0.3 1 22 3 4 GLY H H 8.180 0.020 1 23 3 4 GLY HA2 H 4.217 0.020 2 24 3 4 GLY HA3 H 4.077 0.020 2 25 3 4 GLY CA C 44.252 0.3 1 26 3 4 GLY N N 108.964 0.3 1 27 4 5 PRO HA H 4.419 0.020 1 28 4 5 PRO HB2 H 2.163 0.020 2 29 4 5 PRO HB3 H 1.544 0.020 2 30 4 5 PRO HG2 H 1.459 0.020 1 31 4 5 PRO HG3 H 1.459 0.020 1 32 4 5 PRO HD2 H 3.455 0.020 1 33 4 5 PRO HD3 H 3.455 0.020 1 34 4 5 PRO C C 176.760 0.3 1 35 4 5 PRO CA C 62.110 0.3 1 36 4 5 PRO CB C 32.586 0.3 1 37 4 5 PRO CG C 27.433 0.3 1 38 4 5 PRO CD C 49.626 0.3 1 39 5 6 ARG H H 9.247 0.020 1 40 5 6 ARG HA H 4.160 0.020 1 41 5 6 ARG HB2 H 2.075 0.020 2 42 5 6 ARG HB3 H 2.117 0.020 2 43 5 6 ARG HG2 H 1.822 0.020 2 44 5 6 ARG HG3 H 1.873 0.020 2 45 5 6 ARG HD2 H 3.274 0.020 2 46 5 6 ARG HD3 H 3.010 0.020 2 47 5 6 ARG CA C 54.728 0.3 1 48 5 6 ARG CB C 29.544 0.3 1 49 5 6 ARG CG C 27.075 0.3 1 50 5 6 ARG CD C 44.663 0.3 1 51 5 6 ARG N N 127.848 0.3 1 52 6 7 PRO HA H 4.733 0.020 1 53 6 7 PRO HB2 H 2.238 0.020 2 54 6 7 PRO HB3 H 1.464 0.020 2 55 6 7 PRO HG2 H 1.483 0.020 1 56 6 7 PRO HG3 H 1.483 0.020 1 57 6 7 PRO HD2 H 3.790 0.020 2 58 6 7 PRO HD3 H 3.409 0.020 2 59 6 7 PRO C C 174.200 0.3 1 60 6 7 PRO CA C 61.703 0.3 1 61 6 7 PRO CB C 32.421 0.3 1 62 6 7 PRO CG C 27.225 0.3 1 63 6 7 PRO CD C 49.646 0.3 1 64 7 8 VAL H H 8.734 0.020 1 65 7 8 VAL HA H 4.753 0.020 1 66 7 8 VAL HB H 1.777 0.020 1 67 7 8 VAL HG1 H 0.863 0.020 2 68 7 8 VAL HG2 H 0.864 0.020 2 69 7 8 VAL C C 173.088 0.3 1 70 7 8 VAL CA C 59.141 0.3 1 71 7 8 VAL CB C 35.249 0.3 1 72 7 8 VAL CG1 C 22.938 0.3 1 73 7 8 VAL CG2 C 20.562 0.3 1 74 7 8 VAL N N 117.113 0.3 1 75 8 9 VAL H H 8.941 0.020 1 76 8 9 VAL HA H 4.785 0.020 1 77 8 9 VAL HB H 1.809 0.020 1 78 8 9 VAL HG1 H 0.716 0.020 2 79 8 9 VAL HG2 H 1.045 0.020 2 80 8 9 VAL C C 173.605 0.3 1 81 8 9 VAL CA C 60.871 0.3 1 82 8 9 VAL CB C 32.707 0.3 1 83 8 9 VAL CG1 C 22.881 0.3 1 84 8 9 VAL CG2 C 22.641 0.3 1 85 8 9 VAL N N 128.197 0.3 1 86 9 10 LEU H H 9.006 0.020 1 87 9 10 LEU HA H 5.338 0.020 1 88 9 10 LEU HB2 H 1.478 0.020 2 89 9 10 LEU HB3 H 1.364 0.020 2 90 9 10 LEU HG H 1.492 0.020 1 91 9 10 LEU HD1 H 0.715 0.020 2 92 9 10 LEU HD2 H 0.739 0.020 2 93 9 10 LEU C C 174.622 0.3 1 94 9 10 LEU CA C 52.810 0.3 1 95 9 10 LEU CB C 45.544 0.3 1 96 9 10 LEU CG C 27.455 0.3 1 97 9 10 LEU CD1 C 25.642 0.3 1 98 9 10 LEU CD2 C 25.601 0.3 1 99 9 10 LEU N N 128.678 0.3 1 100 10 11 SER H H 8.522 0.020 1 101 10 11 SER HA H 5.023 0.020 1 102 10 11 SER HB2 H 3.685 0.020 2 103 10 11 SER HB3 H 3.597 0.020 2 104 10 11 SER C C 173.471 0.3 1 105 10 11 SER CA C 56.063 0.3 1 106 10 11 SER CB C 66.596 0.3 1 107 10 11 SER N N 114.251 0.3 1 108 11 12 GLY H H 7.870 0.020 1 109 11 12 GLY HA2 H 4.967 0.020 2 110 11 12 GLY HA3 H 3.885 0.020 2 111 11 12 GLY CA C 44.194 0.3 1 112 11 12 GLY N N 111.042 0.3 1 113 12 13 PRO HA H 4.643 0.020 1 114 12 13 PRO HB2 H 2.355 0.020 2 115 12 13 PRO HB3 H 1.930 0.020 2 116 12 13 PRO HD2 H 3.943 0.020 2 117 12 13 PRO HD3 H 3.600 0.020 2 118 12 13 PRO C C 177.671 0.3 1 119 12 13 PRO CA C 62.357 0.3 1 120 12 13 PRO CB C 31.809 0.3 1 121 12 13 PRO CD C 49.091 0.3 1 122 13 14 SER H H 8.821 0.020 1 123 13 14 SER HA H 4.418 0.020 1 124 13 14 SER HB2 H 3.923 0.020 2 125 13 14 SER HB3 H 3.885 0.020 2 126 13 14 SER C C 175.005 0.3 1 127 13 14 SER CA C 59.653 0.3 1 128 13 14 SER CB C 62.650 0.3 1 129 13 14 SER N N 119.657 0.3 1 130 14 15 GLY H H 9.802 0.020 1 131 14 15 GLY HA2 H 4.217 0.020 2 132 14 15 GLY HA3 H 3.604 0.020 2 133 14 15 GLY C C 175.792 0.3 1 134 14 15 GLY CA C 45.087 0.3 1 135 14 15 GLY N N 114.657 0.3 1 136 15 16 ALA H H 8.041 0.020 1 137 15 16 ALA HA H 4.170 0.020 1 138 15 16 ALA HB H 1.350 0.020 1 139 15 16 ALA C C 176.981 0.3 1 140 15 16 ALA CA C 52.142 0.3 1 141 15 16 ALA CB C 19.169 0.3 1 142 15 16 ALA N N 120.307 0.3 1 143 16 17 GLY H H 9.089 0.020 1 144 16 17 GLY HA2 H 4.058 0.020 2 145 16 17 GLY HA3 H 3.777 0.020 2 146 16 17 GLY C C 174.890 0.3 1 147 16 17 GLY CA C 45.591 0.3 1 148 16 17 GLY N N 107.893 0.3 1 149 17 18 LYS H H 8.551 0.020 1 150 17 18 LYS HA H 3.718 0.020 1 151 17 18 LYS HB2 H 1.838 0.020 2 152 17 18 LYS HB3 H 1.702 0.020 2 153 17 18 LYS HG2 H 1.360 0.020 2 154 17 18 LYS HG3 H 1.333 0.020 2 155 17 18 LYS HD2 H 1.336 0.020 2 156 17 18 LYS HD3 H 1.314 0.020 2 157 17 18 LYS HE2 H 2.868 0.020 2 158 17 18 LYS HE3 H 2.802 0.020 2 159 17 18 LYS C C 177.173 0.3 1 160 17 18 LYS CA C 60.718 0.3 1 161 17 18 LYS CB C 31.281 0.3 1 162 17 18 LYS CG C 23.214 0.3 1 163 17 18 LYS CD C 28.736 0.3 1 164 17 18 LYS CE C 40.841 0.3 1 165 17 18 LYS N N 122.346 0.3 1 166 18 19 SER H H 9.239 0.020 1 167 18 19 SER HA H 3.879 0.020 1 168 18 19 SER HB2 H 4.015 0.020 1 169 18 19 SER HB3 H 4.015 0.020 1 170 18 19 SER C C 177.383 0.3 1 171 18 19 SER CA C 61.589 0.3 1 172 18 19 SER CB C 63.732 0.3 1 173 18 19 SER N N 115.367 0.3 1 174 19 20 THR H H 7.436 0.020 1 175 19 20 THR HA H 3.827 0.020 1 176 19 20 THR HB H 4.017 0.020 1 177 19 20 THR HG2 H 1.189 0.020 1 178 19 20 THR C C 176.827 0.3 1 179 19 20 THR CA C 65.738 0.3 1 180 19 20 THR CB C 68.217 0.3 1 181 19 20 THR CG2 C 22.697 0.3 1 182 19 20 THR N N 120.407 0.3 1 183 20 21 LEU H H 7.863 0.020 1 184 20 21 LEU HA H 3.852 0.020 1 185 20 21 LEU HB2 H 1.870 0.020 1 186 20 21 LEU HB3 H 1.870 0.020 1 187 20 21 LEU HG H 1.362 0.020 1 188 20 21 LEU HD1 H 0.892 0.020 2 189 20 21 LEU HD2 H 0.713 0.020 2 190 20 21 LEU C C 178.074 0.3 1 191 20 21 LEU CA C 58.002 0.3 1 192 20 21 LEU CB C 41.670 0.3 1 193 20 21 LEU CG C 26.237 0.3 1 194 20 21 LEU CD1 C 23.786 0.3 1 195 20 21 LEU CD2 C 25.935 0.3 1 196 20 21 LEU N N 121.855 0.3 1 197 21 22 LEU H H 8.217 0.020 1 198 21 22 LEU HA H 3.828 0.020 1 199 21 22 LEU HB2 H 1.788 0.020 2 200 21 22 LEU HB3 H 1.463 0.020 2 201 21 22 LEU HG H 1.601 0.020 1 202 21 22 LEU HD1 H 0.881 0.020 2 203 21 22 LEU HD2 H 0.775 0.020 2 204 21 22 LEU C C 177.786 0.3 1 205 21 22 LEU CA C 57.740 0.3 1 206 21 22 LEU CB C 41.538 0.3 1 207 21 22 LEU CG C 26.917 0.3 1 208 21 22 LEU CD1 C 24.963 0.3 1 209 21 22 LEU CD2 C 23.579 0.3 1 210 21 22 LEU N N 118.509 0.3 1 211 22 23 LYS H H 7.933 0.020 1 212 22 23 LYS HA H 3.840 0.020 1 213 22 23 LYS HB2 H 1.830 0.020 1 214 22 23 LYS HB3 H 1.830 0.020 1 215 22 23 LYS HG2 H 1.535 0.020 2 216 22 23 LYS HG3 H 1.346 0.020 2 217 22 23 LYS HD2 H 1.604 0.020 1 218 22 23 LYS HD3 H 1.604 0.020 1 219 22 23 LYS HE2 H 2.887 0.020 1 220 22 23 LYS HE3 H 2.887 0.020 1 221 22 23 LYS C C 179.167 0.3 1 222 22 23 LYS CA C 59.937 0.3 1 223 22 23 LYS CB C 32.079 0.3 1 224 22 23 LYS CG C 25.155 0.3 1 225 22 23 LYS CD C 29.114 0.3 1 226 22 23 LYS CE C 41.643 0.3 1 227 22 23 LYS N N 117.567 0.3 1 228 23 24 ARG H H 7.353 0.020 1 229 23 24 ARG HA H 3.893 0.020 1 230 23 24 ARG HB2 H 1.536 0.020 2 231 23 24 ARG HB3 H 1.399 0.020 2 232 23 24 ARG HG2 H 1.356 0.020 2 233 23 24 ARG HG3 H 0.936 0.020 2 234 23 24 ARG HD2 H 2.512 0.020 2 235 23 24 ARG HD3 H 1.947 0.020 2 236 23 24 ARG C C 177.748 0.3 1 237 23 24 ARG CA C 59.324 0.3 1 238 23 24 ARG CB C 29.179 0.3 1 239 23 24 ARG CG C 26.057 0.3 1 240 23 24 ARG CD C 42.763 0.3 1 241 23 24 ARG N N 118.777 0.3 1 242 24 25 LEU H H 8.098 0.020 1 243 24 25 LEU HA H 4.691 0.020 1 244 24 25 LEU HB2 H 1.673 0.020 1 245 24 25 LEU HB3 H 1.673 0.020 1 246 24 25 LEU HG H 1.173 0.020 1 247 24 25 LEU HD1 H 0.614 0.020 2 248 24 25 LEU HD2 H 0.242 0.020 2 249 24 25 LEU C C 179.953 0.3 1 250 24 25 LEU CA C 57.771 0.3 1 251 24 25 LEU CB C 42.431 0.3 1 252 24 25 LEU CG C 25.726 0.3 1 253 24 25 LEU CD1 C 23.007 0.3 1 254 24 25 LEU CD2 C 24.175 0.3 1 255 24 25 LEU N N 120.509 0.3 1 256 25 26 LEU H H 8.263 0.020 1 257 25 26 LEU HA H 3.951 0.020 1 258 25 26 LEU HB2 H 1.792 0.020 1 259 25 26 LEU HB3 H 1.792 0.020 1 260 25 26 LEU HG H 1.845 0.020 1 261 25 26 LEU HD1 H 0.821 0.020 2 262 25 26 LEU HD2 H 0.701 0.020 2 263 25 26 LEU C C 179.416 0.3 1 264 25 26 LEU CA C 57.495 0.3 1 265 25 26 LEU CB C 41.281 0.3 1 266 25 26 LEU CG C 27.593 0.3 1 267 25 26 LEU CD1 C 25.113 0.3 1 268 25 26 LEU CD2 C 22.897 0.3 1 269 25 26 LEU N N 117.639 0.3 1 270 26 27 GLN H H 7.830 0.020 1 271 26 27 GLN HA H 4.081 0.020 1 272 26 27 GLN HB2 H 2.313 0.020 2 273 26 27 GLN HB3 H 2.173 0.020 2 274 26 27 GLN HG2 H 2.205 0.020 1 275 26 27 GLN HG3 H 2.205 0.020 1 276 26 27 GLN HE21 H 7.172 0.020 1 277 26 27 GLN HE22 H 6.824 0.020 1 278 26 27 GLN C C 178.323 0.3 1 279 26 27 GLN CA C 58.094 0.3 1 280 26 27 GLN CB C 29.225 0.3 1 281 26 27 GLN CG C 34.586 0.3 1 282 26 27 GLN N N 117.913 0.3 1 283 26 27 GLN NE2 N 111.856 0.3 1 284 27 28 GLU H H 7.946 0.020 1 285 27 28 GLU HA H 4.082 0.020 1 286 27 28 GLU HB2 H 1.923 0.020 2 287 27 28 GLU HB3 H 1.776 0.020 2 288 27 28 GLU HG2 H 2.329 0.020 2 289 27 28 GLU HG3 H 1.753 0.020 2 290 27 28 GLU C C 176.405 0.3 1 291 27 28 GLU CA C 57.711 0.3 1 292 27 28 GLU CB C 29.826 0.3 1 293 27 28 GLU CG C 36.429 0.3 1 294 27 28 GLU N N 116.381 0.3 1 295 28 29 HIS H H 7.709 0.020 1 296 28 29 HIS HA H 5.026 0.020 1 297 28 29 HIS HB2 H 3.328 0.020 1 298 28 29 HIS HB3 H 3.328 0.020 1 299 28 29 HIS HD2 H 6.863 0.020 1 300 28 29 HIS HE1 H 7.712 0.020 1 301 28 29 HIS C C 175.216 0.3 1 302 28 29 HIS CA C 54.617 0.3 1 303 28 29 HIS CB C 29.461 0.3 1 304 28 29 HIS CE1 C 138.118 0.3 1 305 28 29 HIS N N 117.834 0.3 1 306 29 30 SER H H 8.109 0.020 1 307 29 30 SER HA H 4.425 0.020 1 308 29 30 SER HB2 H 3.972 0.020 1 309 29 30 SER HB3 H 3.972 0.020 1 310 29 30 SER CA C 60.208 0.3 1 311 29 30 SER CB C 62.922 0.3 1 312 29 30 SER N N 117.028 0.3 1 313 30 31 GLY HA2 H 4.292 0.020 2 314 30 31 GLY HA3 H 4.007 0.020 2 315 30 31 GLY C C 174.430 0.3 1 316 30 31 GLY CA C 45.218 0.3 1 317 31 32 ILE H H 7.512 0.020 1 318 31 32 ILE HA H 4.213 0.020 1 319 31 32 ILE HB H 1.876 0.020 1 320 31 32 ILE HG12 H 1.213 0.020 1 321 31 32 ILE HG13 H 1.213 0.020 1 322 31 32 ILE HG2 H 0.346 0.020 1 323 31 32 ILE HD1 H 0.703 0.020 1 324 31 32 ILE C C 174.046 0.3 1 325 31 32 ILE CA C 61.120 0.3 1 326 31 32 ILE CB C 38.165 0.3 1 327 31 32 ILE CG1 C 27.012 0.3 1 328 31 32 ILE CG2 C 17.676 0.3 1 329 31 32 ILE CD1 C 13.143 0.3 1 330 31 32 ILE N N 115.008 0.3 1 331 32 33 PHE H H 7.808 0.020 1 332 32 33 PHE HA H 5.203 0.020 1 333 32 33 PHE HB2 H 2.831 0.020 2 334 32 33 PHE HB3 H 2.670 0.020 2 335 32 33 PHE HD1 H 7.243 0.020 1 336 32 33 PHE HD2 H 7.243 0.020 1 337 32 33 PHE HE1 H 6.833 0.020 1 338 32 33 PHE HE2 H 6.833 0.020 1 339 32 33 PHE HZ H 6.776 0.020 1 340 32 33 PHE C C 176.175 0.3 1 341 32 33 PHE CA C 56.459 0.3 1 342 32 33 PHE CB C 42.115 0.3 1 343 32 33 PHE CE1 C 130.429 0.3 1 344 32 33 PHE N N 117.044 0.3 1 345 33 34 GLY H H 8.536 0.020 1 346 33 34 GLY HA2 H 4.358 0.020 2 347 33 34 GLY HA3 H 3.505 0.020 2 348 33 34 GLY C C 169.885 0.3 1 349 33 34 GLY CA C 44.332 0.3 1 350 33 34 GLY N N 107.089 0.3 1 351 34 35 PHE H H 8.452 0.020 1 352 34 35 PHE HA H 5.078 0.020 1 353 34 35 PHE HB2 H 3.281 0.020 2 354 34 35 PHE HB3 H 2.755 0.020 2 355 34 35 PHE HD1 H 7.396 0.020 1 356 34 35 PHE HD2 H 7.396 0.020 1 357 34 35 PHE HE1 H 7.238 0.020 1 358 34 35 PHE HE2 H 7.238 0.020 1 359 34 35 PHE C C 176.003 0.3 1 360 34 35 PHE CA C 56.462 0.3 1 361 34 35 PHE CB C 41.227 0.3 1 362 34 35 PHE CD1 C 132.648 0.3 1 363 34 35 PHE CE1 C 131.154 0.3 1 364 34 35 PHE N N 117.036 0.3 1 365 35 36 SER H H 9.207 0.020 1 366 35 36 SER HA H 4.142 0.020 1 367 35 36 SER HB2 H 3.696 0.020 2 368 35 36 SER HB3 H 3.664 0.020 2 369 35 36 SER C C 174.181 0.3 1 370 35 36 SER CA C 57.800 0.3 1 371 35 36 SER CB C 64.345 0.3 1 372 35 36 SER N N 117.816 0.3 1 373 36 37 VAL H H 8.255 0.020 1 374 36 37 VAL HA H 3.840 0.020 1 375 36 37 VAL HB H 1.778 0.020 1 376 36 37 VAL HG1 H -0.027 0.020 2 377 36 37 VAL HG2 H 0.743 0.020 2 378 36 37 VAL C C 175.964 0.3 1 379 36 37 VAL CA C 62.692 0.3 1 380 36 37 VAL CB C 31.613 0.3 1 381 36 37 VAL CG1 C 20.459 0.3 1 382 36 37 VAL CG2 C 21.030 0.3 1 383 36 37 VAL N N 125.829 0.3 1 384 37 38 SER H H 8.918 0.020 1 385 37 38 SER HA H 5.213 0.020 1 386 37 38 SER HB2 H 4.400 0.020 2 387 37 38 SER HB3 H 4.110 0.020 2 388 37 38 SER C C 173.586 0.3 1 389 37 38 SER CA C 59.623 0.3 1 390 37 38 SER CB C 64.406 0.3 1 391 37 38 SER N N 124.044 0.3 1 392 38 39 HIS H H 9.758 0.020 1 393 38 39 HIS HA H 5.736 0.020 1 394 38 39 HIS HB2 H 3.264 0.020 2 395 38 39 HIS HB3 H 3.110 0.020 2 396 38 39 HIS HD2 H 6.983 0.020 1 397 38 39 HIS HE1 H 7.303 0.020 1 398 38 39 HIS C C 176.751 0.3 1 399 38 39 HIS CA C 56.517 0.3 1 400 38 39 HIS CB C 34.265 0.3 1 401 38 39 HIS CD2 C 117.992 0.3 1 402 38 39 HIS CE1 C 139.251 0.3 1 403 38 39 HIS N N 123.429 0.3 1 404 39 40 THR H H 8.708 0.020 1 405 39 40 THR HA H 5.242 0.020 1 406 39 40 THR HB H 3.452 0.020 1 407 39 40 THR HG2 H 0.316 0.020 1 408 39 40 THR C C 171.668 0.3 1 409 39 40 THR CA C 58.838 0.3 1 410 39 40 THR CB C 69.678 0.3 1 411 39 40 THR CG2 C 18.864 0.3 1 412 39 40 THR N N 111.717 0.3 1 413 40 41 THR H H 7.599 0.020 1 414 40 41 THR HA H 5.439 0.020 1 415 40 41 THR HB H 4.585 0.020 1 416 40 41 THR HG2 H 1.084 0.020 1 417 40 41 THR C C 176.367 0.3 1 418 40 41 THR CA C 60.434 0.3 1 419 40 41 THR CB C 69.940 0.3 1 420 40 41 THR CG2 C 23.360 0.3 1 421 40 41 THR N N 112.337 0.3 1 422 41 42 ARG H H 8.052 0.020 1 423 41 42 ARG HA H 4.261 0.020 1 424 41 42 ARG HB2 H 1.636 0.020 2 425 41 42 ARG HB3 H 1.498 0.020 2 426 41 42 ARG HG2 H 1.802 0.020 2 427 41 42 ARG HG3 H 1.307 0.020 2 428 41 42 ARG HD2 H 3.158 0.020 2 429 41 42 ARG HD3 H 3.129 0.020 2 430 41 42 ARG C C 175.005 0.3 1 431 41 42 ARG CA C 55.844 0.3 1 432 41 42 ARG CB C 27.190 0.3 1 433 41 42 ARG CD C 43.699 0.3 1 434 41 42 ARG N N 123.746 0.3 1 435 42 43 ASN H H 8.476 0.020 1 436 42 43 ASN HA H 4.755 0.020 1 437 42 43 ASN HB2 H 2.677 0.020 2 438 42 43 ASN HB3 H 2.578 0.020 2 439 42 43 ASN HD21 H 7.630 0.020 1 440 42 43 ASN HD22 H 7.045 0.020 1 441 42 43 ASN CA C 51.616 0.3 1 442 42 43 ASN CB C 37.366 0.3 1 443 42 43 ASN N N 119.815 0.3 1 444 42 43 ASN ND2 N 113.629 0.3 1 445 43 44 PRO HA H 3.951 0.020 1 446 43 44 PRO HB2 H 1.402 0.020 2 447 43 44 PRO HB3 H 0.750 0.020 2 448 43 44 PRO HG2 H 1.564 0.020 2 449 43 44 PRO HG3 H 0.650 0.020 2 450 43 44 PRO HD2 H 3.423 0.020 2 451 43 44 PRO HD3 H 3.214 0.020 2 452 43 44 PRO C C 176.904 0.3 1 453 43 44 PRO CA C 62.695 0.3 1 454 43 44 PRO CB C 31.101 0.3 1 455 43 44 PRO CG C 25.761 0.3 1 456 43 44 PRO CD C 50.209 0.3 1 457 44 45 ARG H H 9.520 0.020 1 458 44 45 ARG HA H 4.543 0.020 1 459 44 45 ARG HB2 H 1.943 0.020 2 460 44 45 ARG HB3 H 1.713 0.020 2 461 44 45 ARG HG2 H 1.604 0.020 2 462 44 45 ARG HG3 H 1.511 0.020 2 463 44 45 ARG HD2 H 3.197 0.020 1 464 44 45 ARG HD3 H 3.197 0.020 1 465 44 45 ARG CA C 53.717 0.3 1 466 44 45 ARG CB C 29.270 0.3 1 467 44 45 ARG CG C 27.038 0.3 1 468 44 45 ARG CD C 43.258 0.3 1 469 44 45 ARG N N 125.309 0.3 1 470 45 46 PRO HA H 4.257 0.020 1 471 45 46 PRO HB2 H 2.294 0.020 1 472 45 46 PRO HB3 H 2.294 0.020 1 473 45 46 PRO HG2 H 1.940 0.020 1 474 45 46 PRO HG3 H 1.940 0.020 1 475 45 46 PRO HD2 H 3.794 0.020 2 476 45 46 PRO HD3 H 3.566 0.020 2 477 45 46 PRO C C 177.575 0.3 1 478 45 46 PRO CA C 64.513 0.3 1 479 45 46 PRO CB C 31.963 0.3 1 480 45 46 PRO CG C 27.669 0.3 1 481 45 46 PRO CD C 50.070 0.3 1 482 46 47 GLY H H 8.762 0.020 1 483 46 47 GLY HA2 H 4.299 0.020 2 484 46 47 GLY HA3 H 3.664 0.020 2 485 46 47 GLY C C 175.082 0.3 1 486 46 47 GLY CA C 44.980 0.3 1 487 46 47 GLY N N 113.262 0.3 1 488 47 48 GLU H H 7.996 0.020 1 489 47 48 GLU HA H 4.582 0.020 1 490 47 48 GLU HB2 H 2.165 0.020 2 491 47 48 GLU HB3 H 1.976 0.020 2 492 47 48 GLU HG2 H 2.372 0.020 1 493 47 48 GLU HG3 H 2.372 0.020 1 494 47 48 GLU C C 177.077 0.3 1 495 47 48 GLU CA C 56.225 0.3 1 496 47 48 GLU CB C 32.212 0.3 1 497 47 48 GLU CG C 38.093 0.3 1 498 47 48 GLU N N 119.250 0.3 1 499 48 49 GLU H H 9.911 0.020 1 500 48 49 GLU HA H 4.807 0.020 1 501 48 49 GLU HB2 H 2.007 0.020 2 502 48 49 GLU HB3 H 1.925 0.020 2 503 48 49 GLU HG2 H 2.314 0.020 2 504 48 49 GLU HG3 H 2.189 0.020 2 505 48 49 GLU CA C 54.822 0.3 1 506 48 49 GLU CB C 33.165 0.3 1 507 48 49 GLU CG C 36.045 0.3 1 508 48 49 GLU N N 121.643 0.3 1 509 49 50 ASN HA H 5.275 0.020 1 510 49 50 ASN HB2 H 3.139 0.020 2 511 49 50 ASN HB3 H 3.034 0.020 2 512 49 50 ASN HD21 H 7.890 0.020 1 513 49 50 ASN HD22 H 7.236 0.020 1 514 49 50 ASN C C 176.597 0.3 1 515 49 50 ASN CA C 54.785 0.3 1 516 49 50 ASN CB C 39.176 0.3 1 517 49 50 ASN ND2 N 113.886 0.3 1 518 50 51 GLY H H 8.919 0.020 1 519 50 51 GLY HA2 H 4.158 0.020 2 520 50 51 GLY HA3 H 2.652 0.020 2 521 50 51 GLY C C 171.419 0.3 1 522 50 51 GLY CA C 44.843 0.3 1 523 50 51 GLY N N 115.371 0.3 1 524 51 52 LYS H H 7.483 0.020 1 525 51 52 LYS HA H 4.350 0.020 1 526 51 52 LYS HB2 H 1.743 0.020 2 527 51 52 LYS HB3 H 1.668 0.020 2 528 51 52 LYS HG2 H 1.339 0.020 2 529 51 52 LYS HG3 H 1.201 0.020 2 530 51 52 LYS HD2 H 1.625 0.020 1 531 51 52 LYS HD3 H 1.625 0.020 1 532 51 52 LYS HE2 H 2.946 0.020 1 533 51 52 LYS HE3 H 2.946 0.020 1 534 51 52 LYS C C 174.660 0.3 1 535 51 52 LYS CA C 56.658 0.3 1 536 51 52 LYS CB C 33.956 0.3 1 537 51 52 LYS CG C 24.433 0.3 1 538 51 52 LYS CD C 28.814 0.3 1 539 51 52 LYS CE C 41.712 0.3 1 540 51 52 LYS N N 119.239 0.3 1 541 52 53 ASP H H 8.297 0.020 1 542 52 53 ASP HA H 4.245 0.020 1 543 52 53 ASP HB2 H 2.797 0.020 2 544 52 53 ASP HB3 H 2.457 0.020 2 545 52 53 ASP C C 174.066 0.3 1 546 52 53 ASP CA C 56.948 0.3 1 547 52 53 ASP CB C 42.812 0.3 1 548 52 53 ASP N N 117.144 0.3 1 549 53 54 TYR H H 7.034 0.020 1 550 53 54 TYR HA H 4.489 0.020 1 551 53 54 TYR HB2 H 2.105 0.020 2 552 53 54 TYR HB3 H 0.828 0.020 2 553 53 54 TYR HD1 H 6.707 0.020 1 554 53 54 TYR HD2 H 6.707 0.020 1 555 53 54 TYR HE1 H 6.845 0.020 1 556 53 54 TYR HE2 H 6.845 0.020 1 557 53 54 TYR C C 175.792 0.3 1 558 53 54 TYR CA C 56.879 0.3 1 559 53 54 TYR CB C 42.840 0.3 1 560 53 54 TYR CE1 C 117.997 0.3 1 561 53 54 TYR N N 111.012 0.3 1 562 54 55 TYR H H 8.917 0.020 1 563 54 55 TYR HA H 4.652 0.020 1 564 54 55 TYR HB2 H 2.349 0.020 2 565 54 55 TYR HB3 H 1.580 0.020 2 566 54 55 TYR HD1 H 6.717 0.020 1 567 54 55 TYR HD2 H 6.717 0.020 1 568 54 55 TYR HE1 H 6.790 0.020 1 569 54 55 TYR HE2 H 6.790 0.020 1 570 54 55 TYR C C 174.526 0.3 1 571 54 55 TYR CA C 58.278 0.3 1 572 54 55 TYR CB C 37.283 0.3 1 573 54 55 TYR CD1 C 133.797 0.3 1 574 54 55 TYR CE1 C 118.287 0.3 1 575 54 55 TYR N N 119.942 0.3 1 576 55 56 PHE H H 8.377 0.020 1 577 55 56 PHE HA H 4.929 0.020 1 578 55 56 PHE HB2 H 3.314 0.020 2 579 55 56 PHE HB3 H 2.771 0.020 2 580 55 56 PHE HD1 H 7.389 0.020 1 581 55 56 PHE HD2 H 7.389 0.020 1 582 55 56 PHE HE1 H 7.392 0.020 1 583 55 56 PHE HE2 H 7.392 0.020 1 584 55 56 PHE HZ H 6.841 0.020 1 585 55 56 PHE C C 176.520 0.3 1 586 55 56 PHE CA C 58.542 0.3 1 587 55 56 PHE CB C 38.202 0.3 1 588 55 56 PHE N N 123.728 0.3 1 589 56 57 VAL H H 8.684 0.020 1 590 56 57 VAL HA H 5.065 0.020 1 591 56 57 VAL HB H 2.371 0.020 1 592 56 57 VAL HG1 H 1.094 0.020 2 593 56 57 VAL HG2 H 0.929 0.020 2 594 56 57 VAL C C 175.331 0.3 1 595 56 57 VAL CA C 58.588 0.3 1 596 56 57 VAL CB C 36.536 0.3 1 597 56 57 VAL CG1 C 22.580 0.3 1 598 56 57 VAL CG2 C 19.273 0.3 1 599 56 57 VAL N N 118.904 0.3 1 600 57 58 THR H H 7.838 0.020 1 601 57 58 THR HA H 4.678 0.020 1 602 57 58 THR HB H 4.735 0.020 1 603 57 58 THR HG2 H 1.368 0.020 1 604 57 58 THR C C 176.214 0.3 1 605 57 58 THR CA C 59.981 0.3 1 606 57 58 THR CB C 70.937 0.3 1 607 57 58 THR CG2 C 22.045 0.3 1 608 57 58 THR N N 108.861 0.3 1 609 58 59 ARG H H 9.143 0.020 1 610 58 59 ARG HA H 3.860 0.020 1 611 58 59 ARG HB2 H 1.850 0.020 1 612 58 59 ARG HB3 H 1.850 0.020 1 613 58 59 ARG HG2 H 1.565 0.020 1 614 58 59 ARG HG3 H 1.565 0.020 1 615 58 59 ARG HD2 H 3.217 0.020 1 616 58 59 ARG HD3 H 3.217 0.020 1 617 58 59 ARG C C 179.340 0.3 1 618 58 59 ARG CA C 60.110 0.3 1 619 58 59 ARG CB C 29.781 0.3 1 620 58 59 ARG CG C 28.493 0.3 1 621 58 59 ARG CD C 43.151 0.3 1 622 58 59 ARG N N 121.754 0.3 1 623 59 60 GLU H H 8.825 0.020 1 624 59 60 GLU HA H 3.941 0.020 1 625 59 60 GLU HB2 H 2.077 0.020 2 626 59 60 GLU HB3 H 1.908 0.020 2 627 59 60 GLU HG2 H 2.314 0.020 2 628 59 60 GLU HG3 H 2.248 0.020 2 629 59 60 GLU C C 179.551 0.3 1 630 59 60 GLU CA C 60.024 0.3 1 631 59 60 GLU CB C 28.949 0.3 1 632 59 60 GLU CG C 36.422 0.3 1 633 59 60 GLU N N 117.258 0.3 1 634 60 61 VAL H H 7.252 0.020 1 635 60 61 VAL HA H 3.488 0.020 1 636 60 61 VAL HB H 2.062 0.020 1 637 60 61 VAL HG1 H 0.996 0.020 2 638 60 61 VAL HG2 H 0.942 0.020 2 639 60 61 VAL C C 177.038 0.3 1 640 60 61 VAL CA C 66.130 0.3 1 641 60 61 VAL CB C 31.918 0.3 1 642 60 61 VAL CG1 C 23.405 0.3 1 643 60 61 VAL CG2 C 20.444 0.3 1 644 60 61 VAL N N 120.566 0.3 1 645 61 62 MET H H 8.248 0.020 1 646 61 62 MET HA H 3.943 0.020 1 647 61 62 MET HB2 H 1.685 0.020 1 648 61 62 MET HB3 H 1.685 0.020 1 649 61 62 MET HG2 H 1.898 0.020 1 650 61 62 MET HG3 H 1.898 0.020 1 651 61 62 MET HE H 1.161 0.020 1 652 61 62 MET C C 178.438 0.3 1 653 61 62 MET CA C 59.577 0.3 1 654 61 62 MET CB C 32.632 0.3 1 655 61 62 MET CG C 32.487 0.3 1 656 61 62 MET CE C 17.306 0.3 1 657 61 62 MET N N 118.884 0.3 1 658 62 63 GLN H H 8.783 0.020 1 659 62 63 GLN HA H 3.758 0.020 1 660 62 63 GLN HB2 H 2.078 0.020 2 661 62 63 GLN HB3 H 1.923 0.020 2 662 62 63 GLN HG2 H 2.418 0.020 2 663 62 63 GLN HG3 H 2.200 0.020 2 664 62 63 GLN HE21 H 7.255 0.020 1 665 62 63 GLN HE22 H 6.805 0.020 1 666 62 63 GLN C C 179.071 0.3 1 667 62 63 GLN CA C 59.291 0.3 1 668 62 63 GLN CB C 27.898 0.3 1 669 62 63 GLN CG C 34.700 0.3 1 670 62 63 GLN N N 114.746 0.3 1 671 62 63 GLN NE2 N 110.792 0.3 1 672 63 64 ARG H H 7.420 0.020 1 673 63 64 ARG HA H 4.028 0.020 1 674 63 64 ARG HB2 H 2.145 0.020 2 675 63 64 ARG HB3 H 1.962 0.020 2 676 63 64 ARG HG2 H 1.509 0.020 2 677 63 64 ARG HG3 H 1.477 0.020 2 678 63 64 ARG HD2 H 3.218 0.020 2 679 63 64 ARG HD3 H 3.145 0.020 2 680 63 64 ARG C C 178.937 0.3 1 681 63 64 ARG CA C 59.282 0.3 1 682 63 64 ARG CB C 29.592 0.3 1 683 63 64 ARG CD C 43.388 0.3 1 684 63 64 ARG N N 121.735 0.3 1 685 64 65 ASP H H 8.279 0.020 1 686 64 65 ASP HA H 4.505 0.020 1 687 64 65 ASP HB2 H 2.808 0.020 1 688 64 65 ASP HB3 H 2.808 0.020 1 689 64 65 ASP C C 179.282 0.3 1 690 64 65 ASP CA C 57.198 0.3 1 691 64 65 ASP CB C 43.553 0.3 1 692 64 65 ASP N N 123.198 0.3 1 693 65 66 ILE H H 8.866 0.020 1 694 65 66 ILE HA H 3.923 0.020 1 695 65 66 ILE HB H 1.509 0.020 1 696 65 66 ILE HG12 H 1.309 0.020 2 697 65 66 ILE HG13 H -0.139 0.020 2 698 65 66 ILE HG2 H 0.335 0.020 1 699 65 66 ILE HD1 H 0.023 0.020 1 700 65 66 ILE C C 181.277 0.3 1 701 65 66 ILE CA C 64.684 0.3 1 702 65 66 ILE CB C 37.967 0.3 1 703 65 66 ILE CG1 C 30.086 0.3 1 704 65 66 ILE CG2 C 16.217 0.3 1 705 65 66 ILE CD1 C 14.479 0.3 1 706 65 66 ILE N N 122.541 0.3 1 707 66 67 ALA H H 7.883 0.020 1 708 66 67 ALA HA H 4.096 0.020 1 709 66 67 ALA HB H 1.503 0.020 1 710 66 67 ALA C C 178.726 0.3 1 711 66 67 ALA CA C 54.617 0.3 1 712 66 67 ALA CB C 17.320 0.3 1 713 66 67 ALA N N 124.565 0.3 1 714 67 68 ALA H H 7.700 0.020 1 715 67 68 ALA HA H 4.266 0.020 1 716 67 68 ALA HB H 1.529 0.020 1 717 67 68 ALA C C 178.093 0.3 1 718 67 68 ALA CA C 52.448 0.3 1 719 67 68 ALA CB C 19.172 0.3 1 720 67 68 ALA N N 118.137 0.3 1 721 68 69 GLY H H 7.746 0.020 1 722 68 69 GLY HA2 H 4.012 0.020 1 723 68 69 GLY HA3 H 4.012 0.020 1 724 68 69 GLY C C 175.811 0.3 1 725 68 69 GLY CA C 45.324 0.3 1 726 68 69 GLY N N 105.138 0.3 1 727 69 70 ASP H H 7.833 0.020 1 728 69 70 ASP HA H 4.376 0.020 1 729 69 70 ASP HB2 H 2.321 0.020 2 730 69 70 ASP HB3 H 2.302 0.020 2 731 69 70 ASP C C 176.520 0.3 1 732 69 70 ASP CA C 56.047 0.3 1 733 69 70 ASP CB C 40.867 0.3 1 734 69 70 ASP N N 117.860 0.3 1 735 70 71 PHE H H 8.981 0.020 1 736 70 71 PHE HA H 4.605 0.020 1 737 70 71 PHE HB2 H 3.037 0.020 2 738 70 71 PHE HB3 H 2.781 0.020 2 739 70 71 PHE HD1 H 6.861 0.020 1 740 70 71 PHE HD2 H 6.861 0.020 1 741 70 71 PHE HE1 H 7.088 0.020 1 742 70 71 PHE HE2 H 7.088 0.020 1 743 70 71 PHE C C 175.753 0.3 1 744 70 71 PHE CA C 58.493 0.3 1 745 70 71 PHE CB C 40.102 0.3 1 746 70 71 PHE CD1 C 131.172 0.3 1 747 70 71 PHE N N 118.259 0.3 1 748 71 72 ILE H H 8.815 0.020 1 749 71 72 ILE HA H 4.134 0.020 1 750 71 72 ILE HB H 1.974 0.020 1 751 71 72 ILE HG12 H 1.482 0.020 2 752 71 72 ILE HG13 H 1.155 0.020 2 753 71 72 ILE HG2 H 0.919 0.020 1 754 71 72 ILE HD1 H 0.829 0.020 1 755 71 72 ILE C C 174.162 0.3 1 756 71 72 ILE CA C 62.052 0.3 1 757 71 72 ILE CB C 38.018 0.3 1 758 71 72 ILE CG1 C 26.926 0.3 1 759 71 72 ILE CG2 C 18.669 0.3 1 760 71 72 ILE CD1 C 14.725 0.3 1 761 71 72 ILE N N 118.682 0.3 1 762 72 73 GLU H H 7.455 0.020 1 763 72 73 GLU HA H 4.694 0.020 1 764 72 73 GLU HB2 H 2.289 0.020 1 765 72 73 GLU HB3 H 2.289 0.020 1 766 72 73 GLU HG2 H 2.277 0.020 2 767 72 73 GLU HG3 H 2.212 0.020 2 768 72 73 GLU C C 174.411 0.3 1 769 72 73 GLU CA C 54.888 0.3 1 770 72 73 GLU CB C 31.021 0.3 1 771 72 73 GLU CG C 34.431 0.3 1 772 72 73 GLU N N 113.417 0.3 1 773 73 74 HIS H H 7.979 0.020 1 774 73 74 HIS HA H 5.469 0.020 1 775 73 74 HIS HB2 H 2.864 0.020 2 776 73 74 HIS HB3 H 2.733 0.020 2 777 73 74 HIS HD2 H 6.516 0.020 1 778 73 74 HIS HE1 H 7.682 0.020 1 779 73 74 HIS C C 172.723 0.3 1 780 73 74 HIS CA C 55.896 0.3 1 781 73 74 HIS CB C 31.810 0.3 1 782 73 74 HIS CD2 C 121.285 0.3 1 783 73 74 HIS CE1 C 138.604 0.3 1 784 73 74 HIS N N 117.934 0.3 1 785 74 75 ALA H H 9.236 0.020 1 786 74 75 ALA HA H 4.455 0.020 1 787 74 75 ALA HB H 1.334 0.020 1 788 74 75 ALA C C 174.909 0.3 1 789 74 75 ALA CA C 51.691 0.3 1 790 74 75 ALA CB C 22.996 0.3 1 791 74 75 ALA N N 121.671 0.3 1 792 75 76 GLU H H 8.320 0.020 1 793 75 76 GLU HA H 5.254 0.020 1 794 75 76 GLU HB2 H 1.943 0.020 2 795 75 76 GLU HB3 H 1.717 0.020 2 796 75 76 GLU HG2 H 2.016 0.020 2 797 75 76 GLU HG3 H 1.970 0.020 2 798 75 76 GLU C C 175.830 0.3 1 799 75 76 GLU CA C 54.583 0.3 1 800 75 76 GLU CB C 31.763 0.3 1 801 75 76 GLU CG C 36.333 0.3 1 802 75 76 GLU N N 120.262 0.3 1 803 76 77 PHE H H 9.287 0.020 1 804 76 77 PHE HA H 4.903 0.020 1 805 76 77 PHE HB2 H 2.977 0.020 2 806 76 77 PHE HB3 H 3.056 0.020 2 807 76 77 PHE HD1 H 7.122 0.020 1 808 76 77 PHE HD2 H 7.122 0.020 1 809 76 77 PHE CA C 57.099 0.3 1 810 76 77 PHE CB C 41.109 0.3 1 811 76 77 PHE CD1 C 131.851 0.3 1 812 76 77 PHE N N 123.998 0.3 1 813 77 78 SER HA H 3.918 0.020 1 814 77 78 SER HB2 H 4.014 0.020 2 815 77 78 SER HB3 H 3.469 0.020 2 816 77 78 SER C C 174.699 0.3 1 817 77 78 SER CA C 57.927 0.3 1 818 77 78 SER CB C 62.111 0.3 1 819 78 79 GLY H H 8.727 0.020 1 820 78 79 GLY HA2 H 4.109 0.020 2 821 78 79 GLY HA3 H 3.640 0.020 2 822 78 79 GLY C C 173.740 0.3 1 823 78 79 GLY CA C 45.035 0.3 1 824 78 79 GLY N N 103.855 0.3 1 825 79 80 ASN H H 7.942 0.020 1 826 79 80 ASN HA H 4.873 0.020 1 827 79 80 ASN HB2 H 2.697 0.020 2 828 79 80 ASN HB3 H 2.216 0.020 2 829 79 80 ASN HD21 H 7.765 0.020 1 830 79 80 ASN HD22 H 7.291 0.020 1 831 79 80 ASN C C 172.244 0.3 1 832 79 80 ASN CA C 51.849 0.3 1 833 79 80 ASN CB C 42.085 0.3 1 834 79 80 ASN N N 117.339 0.3 1 835 79 80 ASN ND2 N 116.770 0.3 1 836 80 81 LEU H H 8.196 0.020 1 837 80 81 LEU HA H 5.118 0.020 1 838 80 81 LEU HB2 H 1.889 0.020 2 839 80 81 LEU HB3 H 1.153 0.020 2 840 80 81 LEU HG H 1.526 0.020 1 841 80 81 LEU HD1 H 0.735 0.020 2 842 80 81 LEU HD2 H 0.705 0.020 2 843 80 81 LEU C C 176.118 0.3 1 844 80 81 LEU CA C 54.010 0.3 1 845 80 81 LEU CB C 43.643 0.3 1 846 80 81 LEU CG C 27.135 0.3 1 847 80 81 LEU CD1 C 22.967 0.3 1 848 80 81 LEU CD2 C 25.107 0.3 1 849 80 81 LEU N N 119.983 0.3 1 850 81 82 TYR H H 8.843 0.020 1 851 81 82 TYR HA H 5.583 0.020 1 852 81 82 TYR HB2 H 3.160 0.020 2 853 81 82 TYR HB3 H 2.783 0.020 2 854 81 82 TYR HD1 H 7.227 0.020 1 855 81 82 TYR HD2 H 7.227 0.020 1 856 81 82 TYR HE1 H 6.717 0.020 1 857 81 82 TYR HE2 H 6.717 0.020 1 858 81 82 TYR C C 176.099 0.3 1 859 81 82 TYR CA C 56.603 0.3 1 860 81 82 TYR CB C 42.620 0.3 1 861 81 82 TYR CD1 C 133.579 0.3 1 862 81 82 TYR CE1 C 118.539 0.3 1 863 81 82 TYR N N 118.723 0.3 1 864 82 83 GLY H H 8.879 0.020 1 865 82 83 GLY HA2 H 4.801 0.020 2 866 82 83 GLY HA3 H 4.061 0.020 2 867 82 83 GLY C C 171.803 0.3 1 868 82 83 GLY CA C 47.491 0.3 1 869 82 83 GLY N N 107.915 0.3 1 870 83 84 THR H H 8.454 0.020 1 871 83 84 THR HA H 5.166 0.020 1 872 83 84 THR HB H 4.058 0.020 1 873 83 84 THR HG2 H 1.246 0.020 1 874 83 84 THR C C 173.529 0.3 1 875 83 84 THR CA C 62.093 0.3 1 876 83 84 THR CB C 70.068 0.3 1 877 83 84 THR CG2 C 21.705 0.3 1 878 83 84 THR N N 117.203 0.3 1 879 84 85 SER H H 10.517 0.020 1 880 84 85 SER HA H 4.054 0.020 1 881 84 85 SER HB2 H 3.467 0.020 2 882 84 85 SER HB3 H 3.258 0.020 2 883 84 85 SER C C 174.603 0.3 1 884 84 85 SER CA C 56.860 0.3 1 885 84 85 SER CB C 63.541 0.3 1 886 84 85 SER N N 127.492 0.3 1 887 85 86 LYS H H 8.362 0.020 1 888 85 86 LYS HA H 3.838 0.020 1 889 85 86 LYS HB2 H 1.835 0.020 2 890 85 86 LYS HB3 H 1.757 0.020 2 891 85 86 LYS HG2 H 0.906 0.020 1 892 85 86 LYS HG3 H 0.906 0.020 1 893 85 86 LYS HD2 H 1.692 0.020 2 894 85 86 LYS HD3 H 1.411 0.020 2 895 85 86 LYS HE2 H 2.882 0.020 1 896 85 86 LYS HE3 H 2.882 0.020 1 897 85 86 LYS C C 179.186 0.3 1 898 85 86 LYS CA C 60.097 0.3 1 899 85 86 LYS CB C 31.875 0.3 1 900 85 86 LYS CG C 25.498 0.3 1 901 85 86 LYS CD C 29.087 0.3 1 902 85 86 LYS CE C 41.326 0.3 1 903 85 86 LYS N N 122.666 0.3 1 904 86 87 VAL H H 8.272 0.020 1 905 86 87 VAL HA H 3.852 0.020 1 906 86 87 VAL HB H 1.904 0.020 1 907 86 87 VAL HG1 H 0.921 0.020 2 908 86 87 VAL HG2 H 0.890 0.020 2 909 86 87 VAL C C 178.074 0.3 1 910 86 87 VAL CA C 65.259 0.3 1 911 86 87 VAL CB C 31.619 0.3 1 912 86 87 VAL CG1 C 21.376 0.3 1 913 86 87 VAL CG2 C 20.822 0.3 1 914 86 87 VAL N N 116.819 0.3 1 915 87 88 ALA H H 7.755 0.020 1 916 87 88 ALA HA H 4.327 0.020 1 917 87 88 ALA HB H 1.927 0.020 1 918 87 88 ALA C C 179.455 0.3 1 919 87 88 ALA CA C 54.837 0.3 1 920 87 88 ALA CB C 19.895 0.3 1 921 87 88 ALA N N 123.892 0.3 1 922 88 89 VAL H H 7.386 0.020 1 923 88 89 VAL HA H 3.935 0.020 1 924 88 89 VAL HB H 2.303 0.020 1 925 88 89 VAL HG1 H 1.105 0.020 2 926 88 89 VAL HG2 H 0.932 0.020 2 927 88 89 VAL C C 178.975 0.3 1 928 88 89 VAL CA C 65.535 0.3 1 929 88 89 VAL CB C 31.726 0.3 1 930 88 89 VAL CG1 C 22.917 0.3 1 931 88 89 VAL CG2 C 21.021 0.3 1 932 88 89 VAL N N 119.871 0.3 1 933 89 90 GLN H H 8.095 0.020 1 934 89 90 GLN HA H 4.058 0.020 1 935 89 90 GLN HB2 H 2.276 0.020 2 936 89 90 GLN HB3 H 2.051 0.020 2 937 89 90 GLN HG2 H 2.481 0.020 1 938 89 90 GLN HG3 H 2.481 0.020 1 939 89 90 GLN HE21 H 7.950 0.020 1 940 89 90 GLN HE22 H 7.094 0.020 1 941 89 90 GLN C C 178.649 0.3 1 942 89 90 GLN CA C 58.888 0.3 1 943 89 90 GLN CB C 28.007 0.3 1 944 89 90 GLN CG C 33.686 0.3 1 945 89 90 GLN N N 119.446 0.3 1 946 89 90 GLN NE2 N 113.003 0.3 1 947 90 91 ALA H H 8.187 0.020 1 948 90 91 ALA HA H 4.150 0.020 1 949 90 91 ALA HB H 1.548 0.020 1 950 90 91 ALA C C 180.088 0.3 1 951 90 91 ALA CA C 54.654 0.3 1 952 90 91 ALA CB C 17.672 0.3 1 953 90 91 ALA N N 121.702 0.3 1 954 91 92 VAL H H 7.165 0.020 1 955 91 92 VAL HA H 3.657 0.020 1 956 91 92 VAL HB H 2.096 0.020 1 957 91 92 VAL HG1 H 0.569 0.020 2 958 91 92 VAL HG2 H 1.029 0.020 2 959 91 92 VAL C C 178.592 0.3 1 960 91 92 VAL CA C 65.868 0.3 1 961 91 92 VAL CB C 31.957 0.3 1 962 91 92 VAL CG1 C 21.571 0.3 1 963 91 92 VAL CG2 C 22.370 0.3 1 964 91 92 VAL N N 118.947 0.3 1 965 92 93 GLN H H 7.586 0.020 1 966 92 93 GLN HA H 4.263 0.020 1 967 92 93 GLN HB2 H 2.233 0.020 2 968 92 93 GLN HB3 H 2.106 0.020 2 969 92 93 GLN HG2 H 2.508 0.020 2 970 92 93 GLN HG3 H 2.300 0.020 2 971 92 93 GLN HE21 H 6.945 0.020 1 972 92 93 GLN HE22 H 6.642 0.020 1 973 92 93 GLN C C 179.896 0.3 1 974 92 93 GLN CA C 59.331 0.3 1 975 92 93 GLN CB C 29.129 0.3 1 976 92 93 GLN CG C 31.498 0.3 1 977 92 93 GLN N N 120.078 0.3 1 978 92 93 GLN NE2 N 110.048 0.3 1 979 93 94 ALA H H 8.375 0.020 1 980 93 94 ALA HA H 4.227 0.020 1 981 93 94 ALA HB H 1.508 0.020 1 982 93 94 ALA C C 178.764 0.3 1 983 93 94 ALA CA C 53.898 0.3 1 984 93 94 ALA CB C 17.901 0.3 1 985 93 94 ALA N N 120.731 0.3 1 986 94 95 MET H H 7.353 0.020 1 987 94 95 MET HA H 4.523 0.020 1 988 94 95 MET HB2 H 2.150 0.020 2 989 94 95 MET HB3 H 2.242 0.020 2 990 94 95 MET HG2 H 2.826 0.020 2 991 94 95 MET HG3 H 2.649 0.020 2 992 94 95 MET HE H 2.091 0.020 1 993 94 95 MET C C 175.159 0.3 1 994 94 95 MET CA C 54.856 0.3 1 995 94 95 MET CB C 32.077 0.3 1 996 94 95 MET CG C 31.804 0.3 1 997 94 95 MET CE C 16.689 0.3 1 998 94 95 MET N N 116.446 0.3 1 999 95 96 ASN H H 8.516 0.020 1 1000 95 96 ASN HA H 4.197 0.020 1 1001 95 96 ASN HB2 H 3.305 0.020 2 1002 95 96 ASN HB3 H 2.588 0.020 2 1003 95 96 ASN HD21 H 7.349 0.020 1 1004 95 96 ASN HD22 H 6.789 0.020 1 1005 95 96 ASN C C 173.452 0.3 1 1006 95 96 ASN CA C 54.081 0.3 1 1007 95 96 ASN CB C 37.496 0.3 1 1008 95 96 ASN CG C 178.112 0.3 1 1009 95 96 ASN N N 116.330 0.3 1 1010 95 96 ASN ND2 N 112.339 0.3 1 1011 96 97 ARG H H 6.898 0.020 1 1012 96 97 ARG HA H 4.556 0.020 1 1013 96 97 ARG HB2 H 1.307 0.020 2 1014 96 97 ARG HB3 H 0.958 0.020 2 1015 96 97 ARG HG2 H 1.415 0.020 2 1016 96 97 ARG HG3 H 1.315 0.020 2 1017 96 97 ARG HD2 H 2.817 0.020 2 1018 96 97 ARG HD3 H 2.734 0.020 2 1019 96 97 ARG C C 175.159 0.3 1 1020 96 97 ARG CA C 53.438 0.3 1 1021 96 97 ARG CB C 33.663 0.3 1 1022 96 97 ARG CG C 27.540 0.3 1 1023 96 97 ARG CD C 43.626 0.3 1 1024 96 97 ARG N N 113.393 0.3 1 1025 97 98 ILE H H 8.575 0.020 1 1026 97 98 ILE HA H 3.544 0.020 1 1027 97 98 ILE HB H 1.212 0.020 1 1028 97 98 ILE HG12 H 1.095 0.020 2 1029 97 98 ILE HG13 H 0.705 0.020 2 1030 97 98 ILE HG2 H 0.909 0.020 1 1031 97 98 ILE HD1 H 0.126 0.020 1 1032 97 98 ILE C C 174.411 0.3 1 1033 97 98 ILE CA C 61.010 0.3 1 1034 97 98 ILE CB C 38.033 0.3 1 1035 97 98 ILE CG1 C 27.669 0.3 1 1036 97 98 ILE CG2 C 17.136 0.3 1 1037 97 98 ILE CD1 C 13.993 0.3 1 1038 97 98 ILE N N 121.853 0.3 1 1039 98 99 CYS H H 8.444 0.020 1 1040 98 99 CYS HA H 4.642 0.020 1 1041 98 99 CYS HB2 H 2.695 0.020 2 1042 98 99 CYS HB3 H 2.326 0.020 2 1043 98 99 CYS C C 173.241 0.3 1 1044 98 99 CYS CA C 58.253 0.3 1 1045 98 99 CYS CB C 27.338 0.3 1 1046 98 99 CYS N N 130.091 0.3 1 1047 99 100 VAL H H 8.315 0.020 1 1048 99 100 VAL HA H 4.509 0.020 1 1049 99 100 VAL HB H 1.616 0.020 1 1050 99 100 VAL HG1 H 0.785 0.020 2 1051 99 100 VAL HG2 H 0.740 0.020 2 1052 99 100 VAL C C 175.236 0.3 1 1053 99 100 VAL CA C 61.506 0.3 1 1054 99 100 VAL CB C 32.127 0.3 1 1055 99 100 VAL CG1 C 21.352 0.3 1 1056 99 100 VAL CG2 C 21.135 0.3 1 1057 99 100 VAL N N 129.618 0.3 1 1058 100 101 LEU H H 9.264 0.020 1 1059 100 101 LEU HA H 4.676 0.020 1 1060 100 101 LEU HB2 H 1.914 0.020 2 1061 100 101 LEU HB3 H 1.590 0.020 2 1062 100 101 LEU HG H 1.243 0.020 1 1063 100 101 LEU HD1 H 0.891 0.020 2 1064 100 101 LEU HD2 H 0.755 0.020 2 1065 100 101 LEU C C 173.414 0.3 1 1066 100 101 LEU CA C 53.721 0.3 1 1067 100 101 LEU CB C 40.978 0.3 1 1068 100 101 LEU CG C 27.067 0.3 1 1069 100 101 LEU CD1 C 24.710 0.3 1 1070 100 101 LEU CD2 C 25.538 0.3 1 1071 100 101 LEU N N 130.912 0.3 1 1072 101 102 ASP H H 8.629 0.020 1 1073 101 102 ASP HA H 5.318 0.020 1 1074 101 102 ASP HB2 H 2.879 0.020 2 1075 101 102 ASP HB3 H 2.214 0.020 2 1076 101 102 ASP C C 176.578 0.3 1 1077 101 102 ASP CA C 52.660 0.3 1 1078 101 102 ASP CB C 40.669 0.3 1 1079 101 102 ASP N N 126.225 0.3 1 1080 102 103 VAL H H 8.109 0.020 1 1081 102 103 VAL HA H 5.011 0.020 1 1082 102 103 VAL HB H 2.436 0.020 1 1083 102 103 VAL HG1 H 0.846 0.020 2 1084 102 103 VAL HG2 H 0.856 0.020 2 1085 102 103 VAL C C 175.907 0.3 1 1086 102 103 VAL CA C 58.467 0.3 1 1087 102 103 VAL CB C 37.343 0.3 1 1088 102 103 VAL CG1 C 21.727 0.3 1 1089 102 103 VAL CG2 C 19.470 0.3 1 1090 102 103 VAL N N 114.483 0.3 1 1091 103 104 ASP H H 8.302 0.020 1 1092 103 104 ASP HA H 4.782 0.020 1 1093 103 104 ASP HB2 H 3.270 0.020 2 1094 103 104 ASP HB3 H 2.824 0.020 2 1095 103 104 ASP C C 175.907 0.3 1 1096 103 104 ASP CA C 51.896 0.3 1 1097 103 104 ASP CB C 41.134 0.3 1 1098 103 104 ASP N N 121.385 0.3 1 1099 104 105 LEU H H 8.451 0.020 1 1100 104 105 LEU HA H 4.049 0.020 1 1101 104 105 LEU HB2 H 1.781 0.020 2 1102 104 105 LEU HB3 H 1.680 0.020 2 1103 104 105 LEU HG H 1.687 0.020 1 1104 104 105 LEU HD1 H 1.009 0.020 2 1105 104 105 LEU HD2 H 0.965 0.020 2 1106 104 105 LEU C C 178.726 0.3 1 1107 104 105 LEU CA C 58.134 0.3 1 1108 104 105 LEU CB C 41.137 0.3 1 1109 104 105 LEU CG C 27.200 0.3 1 1110 104 105 LEU CD1 C 23.177 0.3 1 1111 104 105 LEU CD2 C 25.481 0.3 1 1112 104 105 LEU N N 119.393 0.3 1 1113 105 106 GLN H H 8.036 0.020 1 1114 105 106 GLN HA H 3.951 0.020 1 1115 105 106 GLN HB2 H 2.147 0.020 1 1116 105 106 GLN HB3 H 2.147 0.020 1 1117 105 106 GLN HG2 H 2.445 0.020 2 1118 105 106 GLN HG3 H 2.368 0.020 2 1119 105 106 GLN HE21 H 7.523 0.020 1 1120 105 106 GLN HE22 H 7.035 0.020 1 1121 105 106 GLN C C 178.630 0.3 1 1122 105 106 GLN CA C 58.523 0.3 1 1123 105 106 GLN CB C 27.575 0.3 1 1124 105 106 GLN CG C 33.912 0.3 1 1125 105 106 GLN N N 117.600 0.3 1 1126 105 106 GLN NE2 N 113.977 0.3 1 1127 106 107 GLY H H 8.325 0.020 1 1128 106 107 GLY HA2 H 4.058 0.020 2 1129 106 107 GLY HA3 H 3.739 0.020 2 1130 106 107 GLY C C 175.964 0.3 1 1131 106 107 GLY CA C 47.259 0.3 1 1132 106 107 GLY N N 109.669 0.3 1 1133 107 108 VAL H H 8.431 0.020 1 1134 107 108 VAL HA H 3.404 0.020 1 1135 107 108 VAL HB H 2.583 0.020 1 1136 107 108 VAL HG1 H 1.173 0.020 2 1137 107 108 VAL HG2 H 0.443 0.020 2 1138 107 108 VAL C C 177.518 0.3 1 1139 107 108 VAL CA C 67.851 0.3 1 1140 107 108 VAL CB C 31.141 0.3 1 1141 107 108 VAL CG1 C 23.490 0.3 1 1142 107 108 VAL CG2 C 20.773 0.3 1 1143 107 108 VAL N N 122.407 0.3 1 1144 108 109 ARG H H 7.976 0.020 1 1145 108 109 ARG HA H 3.693 0.020 1 1146 108 109 ARG HB2 H 1.964 0.020 2 1147 108 109 ARG HB3 H 1.741 0.020 2 1148 108 109 ARG HG2 H 1.794 0.020 2 1149 108 109 ARG HG3 H 1.581 0.020 2 1150 108 109 ARG HD2 H 3.089 0.020 2 1151 108 109 ARG HD3 H 3.002 0.020 2 1152 108 109 ARG C C 179.666 0.3 1 1153 108 109 ARG CA C 59.721 0.3 1 1154 108 109 ARG CB C 27.598 0.3 1 1155 108 109 ARG CG C 27.573 0.3 1 1156 108 109 ARG CD C 42.897 0.3 1 1157 108 109 ARG N N 115.522 0.3 1 1158 109 110 ASN H H 8.418 0.020 1 1159 109 110 ASN HA H 4.556 0.020 1 1160 109 110 ASN HB2 H 3.250 0.020 2 1161 109 110 ASN HB3 H 3.087 0.020 2 1162 109 110 ASN HD21 H 7.686 0.020 1 1163 109 110 ASN HD22 H 6.976 0.020 1 1164 109 110 ASN C C 178.879 0.3 1 1165 109 110 ASN CA C 55.696 0.3 1 1166 109 110 ASN CB C 37.874 0.3 1 1167 109 110 ASN CG C 176.290 0.3 1 1168 109 110 ASN N N 118.809 0.3 1 1169 109 110 ASN ND2 N 111.625 0.3 1 1170 110 111 ILE H H 8.662 0.020 1 1171 110 111 ILE HA H 3.812 0.020 1 1172 110 111 ILE HB H 2.061 0.020 1 1173 110 111 ILE HG12 H 2.197 0.020 2 1174 110 111 ILE HG13 H 0.763 0.020 2 1175 110 111 ILE HG2 H 1.051 0.020 1 1176 110 111 ILE HD1 H 0.842 0.020 1 1177 110 111 ILE C C 179.186 0.3 1 1178 110 111 ILE CA C 65.456 0.3 1 1179 110 111 ILE CB C 38.088 0.3 1 1180 110 111 ILE CG1 C 30.869 0.3 1 1181 110 111 ILE CG2 C 18.348 0.3 1 1182 110 111 ILE CD1 C 15.798 0.3 1 1183 110 111 ILE N N 123.159 0.3 1 1184 111 112 LYS H H 8.397 0.020 1 1185 111 112 LYS HA H 4.193 0.020 1 1186 111 112 LYS HB2 H 1.643 0.020 1 1187 111 112 LYS HB3 H 1.643 0.020 1 1188 111 112 LYS HG2 H 1.322 0.020 2 1189 111 112 LYS HG3 H 1.100 0.020 2 1190 111 112 LYS HD2 H 1.231 0.020 2 1191 111 112 LYS HD3 H 1.217 0.020 2 1192 111 112 LYS HE2 H 2.231 0.020 1 1193 111 112 LYS HE3 H 2.231 0.020 1 1194 111 112 LYS C C 177.422 0.3 1 1195 111 112 LYS CA C 57.610 0.3 1 1196 111 112 LYS CB C 32.721 0.3 1 1197 111 112 LYS CG C 25.529 0.3 1 1198 111 112 LYS CD C 28.911 0.3 1 1199 111 112 LYS CE C 42.063 0.3 1 1200 111 112 LYS N N 122.694 0.3 1 1201 112 113 ALA H H 7.185 0.020 1 1202 112 113 ALA HA H 4.535 0.020 1 1203 112 113 ALA HB H 1.566 0.020 1 1204 112 113 ALA C C 177.844 0.3 1 1205 112 113 ALA CA C 52.072 0.3 1 1206 112 113 ALA CB C 18.603 0.3 1 1207 112 113 ALA N N 118.909 0.3 1 1208 113 114 THR H H 7.858 0.020 1 1209 113 114 THR HA H 4.861 0.020 1 1210 113 114 THR HB H 4.393 0.020 1 1211 113 114 THR HG2 H 1.489 0.020 1 1212 113 114 THR CA C 61.070 0.3 1 1213 113 114 THR CB C 72.483 0.3 1 1214 113 114 THR CG2 C 21.495 0.3 1 1215 113 114 THR N N 110.423 0.3 1 1216 114 115 ASP HA H 4.745 0.020 1 1217 114 115 ASP HB2 H 2.917 0.020 2 1218 114 115 ASP HB3 H 2.650 0.020 2 1219 114 115 ASP C C 177.383 0.3 1 1220 114 115 ASP CA C 52.879 0.3 1 1221 114 115 ASP CB C 39.824 0.3 1 1222 115 116 LEU H H 7.875 0.020 1 1223 115 116 LEU HA H 4.125 0.020 1 1224 115 116 LEU HB2 H 1.579 0.020 2 1225 115 116 LEU HB3 H 1.174 0.020 2 1226 115 116 LEU HG H 1.697 0.020 1 1227 115 116 LEU HD1 H 0.903 0.020 2 1228 115 116 LEU HD2 H 0.854 0.020 2 1229 115 116 LEU CA C 56.035 0.3 1 1230 115 116 LEU CB C 43.376 0.3 1 1231 115 116 LEU CG C 27.072 0.3 1 1232 115 116 LEU CD1 C 25.428 0.3 1 1233 115 116 LEU CD2 C 23.425 0.3 1 1234 115 116 LEU N N 119.374 0.3 1 1235 116 117 ARG HA H 4.577 0.020 1 1236 116 117 ARG CA C 53.757 0.3 1 1237 117 118 PRO HA H 4.020 0.020 1 1238 117 118 PRO HB2 H 1.453 0.020 2 1239 117 118 PRO HB3 H 0.917 0.020 2 1240 117 118 PRO HG2 H 1.125 0.020 1 1241 117 118 PRO HG3 H 1.125 0.020 1 1242 117 118 PRO HD2 H 3.301 0.020 1 1243 117 118 PRO HD3 H 3.301 0.020 1 1244 117 118 PRO CA C 65.790 0.3 1 1245 117 118 PRO CB C 32.877 0.3 1 1246 117 118 PRO CG C 26.416 0.3 1 1247 117 118 PRO CD C 48.941 0.3 1 1248 118 119 ILE H H 8.089 0.020 1 1249 118 119 ILE HA H 4.191 0.020 1 1250 118 119 ILE HB H 1.506 0.020 1 1251 118 119 ILE HG12 H 0.963 0.020 1 1252 118 119 ILE HG13 H 0.963 0.020 1 1253 118 119 ILE HG2 H 0.883 0.020 1 1254 118 119 ILE HD1 H 0.888 0.020 1 1255 118 119 ILE C C 174.890 0.3 1 1256 118 119 ILE CA C 61.501 0.3 1 1257 118 119 ILE CB C 39.966 0.3 1 1258 118 119 ILE CG1 C 27.917 0.3 1 1259 118 119 ILE CG2 C 14.173 0.3 1 1260 118 119 ILE CD1 C 16.459 0.3 1 1261 118 119 ILE N N 119.702 0.3 1 1262 119 120 TYR H H 9.792 0.020 1 1263 119 120 TYR HA H 5.064 0.020 1 1264 119 120 TYR HB2 H 3.129 0.020 2 1265 119 120 TYR HB3 H 2.902 0.020 2 1266 119 120 TYR HD1 H 7.095 0.020 1 1267 119 120 TYR HD2 H 7.095 0.020 1 1268 119 120 TYR HE1 H 6.705 0.020 1 1269 119 120 TYR HE2 H 6.705 0.020 1 1270 119 120 TYR C C 176.060 0.3 1 1271 119 120 TYR CA C 57.990 0.3 1 1272 119 120 TYR CB C 40.614 0.3 1 1273 119 120 TYR CD1 C 134.230 0.3 1 1274 119 120 TYR CE1 C 117.807 0.3 1 1275 119 120 TYR N N 126.889 0.3 1 1276 120 121 ILE H H 9.827 0.020 1 1277 120 121 ILE HA H 5.216 0.020 1 1278 120 121 ILE HB H 1.944 0.020 1 1279 120 121 ILE HG12 H 1.593 0.020 2 1280 120 121 ILE HG13 H 0.908 0.020 2 1281 120 121 ILE HG2 H 0.626 0.020 1 1282 120 121 ILE HD1 H 0.634 0.020 1 1283 120 121 ILE C C 173.414 0.3 1 1284 120 121 ILE CA C 60.011 0.3 1 1285 120 121 ILE CB C 40.399 0.3 1 1286 120 121 ILE CG1 C 27.057 0.3 1 1287 120 121 ILE CG2 C 16.335 0.3 1 1288 120 121 ILE CD1 C 13.831 0.3 1 1289 120 121 ILE N N 127.251 0.3 1 1290 121 122 SER H H 8.153 0.020 1 1291 121 122 SER HA H 4.729 0.020 1 1292 121 122 SER HB2 H 2.833 0.020 1 1293 121 122 SER HB3 H 2.833 0.020 1 1294 121 122 SER C C 174.008 0.3 1 1295 121 122 SER CA C 54.818 0.3 1 1296 121 122 SER CB C 63.191 0.3 1 1297 121 122 SER N N 120.935 0.3 1 1298 122 123 VAL H H 8.607 0.020 1 1299 122 123 VAL HA H 4.752 0.020 1 1300 122 123 VAL HB H 1.801 0.020 1 1301 122 123 VAL HG1 H 0.606 0.020 2 1302 122 123 VAL HG2 H 0.738 0.020 2 1303 122 123 VAL C C 174.756 0.3 1 1304 122 123 VAL CA C 61.264 0.3 1 1305 122 123 VAL CB C 32.396 0.3 1 1306 122 123 VAL CG1 C 21.064 0.3 1 1307 122 123 VAL CG2 C 20.781 0.3 1 1308 122 123 VAL N N 128.269 0.3 1 1309 123 124 GLN H H 8.979 0.020 1 1310 123 124 GLN HA H 4.590 0.020 1 1311 123 124 GLN HB2 H 1.940 0.020 1 1312 123 124 GLN HB3 H 1.940 0.020 1 1313 123 124 GLN HG2 H 2.152 0.020 1 1314 123 124 GLN HG3 H 2.152 0.020 1 1315 123 124 GLN HE21 H 7.136 0.020 1 1316 123 124 GLN HE22 H 6.206 0.020 1 1317 123 124 GLN CA C 51.643 0.3 1 1318 123 124 GLN CB C 29.476 0.3 1 1319 123 124 GLN CG C 32.456 0.3 1 1320 123 124 GLN N N 122.819 0.3 1 1321 123 124 GLN NE2 N 109.748 0.3 1 1322 124 125 PRO HA H 4.128 0.020 1 1323 124 125 PRO HB2 H 2.294 0.020 2 1324 124 125 PRO HB3 H 1.926 0.020 2 1325 124 125 PRO HG2 H 1.977 0.020 1 1326 124 125 PRO HG3 H 1.977 0.020 1 1327 124 125 PRO HD2 H 3.946 0.020 2 1328 124 125 PRO HD3 H 3.315 0.020 2 1329 124 125 PRO CA C 64.247 0.3 1 1330 124 125 PRO CB C 32.097 0.3 1 1331 124 125 PRO CG C 28.225 0.3 1 1332 124 125 PRO CD C 48.826 0.3 1 1333 125 126 PRO HA H 5.108 0.020 1 1334 125 126 PRO HB2 H 2.041 0.020 1 1335 125 126 PRO HB3 H 2.041 0.020 1 1336 125 126 PRO HG2 H 2.132 0.020 2 1337 125 126 PRO HG3 H 2.029 0.020 2 1338 125 126 PRO HD2 H 3.710 0.020 2 1339 125 126 PRO HD3 H 3.419 0.020 2 1340 125 126 PRO C C 175.696 0.3 1 1341 125 126 PRO CA C 60.390 0.3 1 1342 125 126 PRO CB C 31.798 0.3 1 1343 125 126 PRO CG C 28.062 0.3 1 1344 125 126 PRO CD C 49.649 0.3 1 1345 126 127 SER H H 6.811 0.020 1 1346 126 127 SER HA H 4.483 0.020 1 1347 126 127 SER HB2 H 4.138 0.020 1 1348 126 127 SER HB3 H 4.138 0.020 1 1349 126 127 SER CA C 56.152 0.3 1 1350 126 127 SER CB C 64.314 0.3 1 1351 126 127 SER N N 103.482 0.3 1 1352 127 128 LEU HA H 4.092 0.020 1 1353 127 128 LEU HB2 H 1.665 0.020 1 1354 127 128 LEU HB3 H 1.665 0.020 1 1355 127 128 LEU HG H 1.810 0.020 1 1356 127 128 LEU HD1 H 1.007 0.020 2 1357 127 128 LEU HD2 H 0.911 0.020 2 1358 127 128 LEU CA C 57.321 0.3 1 1359 127 128 LEU CB C 41.268 0.3 1 1360 127 128 LEU CG C 26.868 0.3 1 1361 127 128 LEU CD1 C 24.585 0.3 1 1362 127 128 LEU CD2 C 24.606 0.3 1 1363 128 129 HIS HA H 4.439 0.020 1 1364 128 129 HIS HB2 H 3.196 0.020 2 1365 128 129 HIS HB3 H 3.070 0.020 2 1366 128 129 HIS HD2 H 6.956 0.020 1 1367 128 129 HIS C C 177.978 0.3 1 1368 128 129 HIS CA C 59.369 0.3 1 1369 128 129 HIS CB C 29.933 0.3 1 1370 129 130 VAL H H 7.639 0.020 1 1371 129 130 VAL HA H 3.654 0.020 1 1372 129 130 VAL HB H 1.840 0.020 1 1373 129 130 VAL HG1 H 0.960 0.020 2 1374 129 130 VAL HG2 H 1.031 0.020 2 1375 129 130 VAL C C 177.882 0.3 1 1376 129 130 VAL CA C 65.903 0.3 1 1377 129 130 VAL CB C 31.751 0.3 1 1378 129 130 VAL CG1 C 20.745 0.3 1 1379 129 130 VAL CG2 C 23.381 0.3 1 1380 129 130 VAL N N 119.681 0.3 1 1381 130 131 LEU H H 7.522 0.020 1 1382 130 131 LEU HA H 4.049 0.020 1 1383 130 131 LEU HB2 H 2.106 0.020 2 1384 130 131 LEU HB3 H 1.353 0.020 2 1385 130 131 LEU HG H 1.547 0.020 1 1386 130 131 LEU HD1 H 0.884 0.020 2 1387 130 131 LEU HD2 H 0.884 0.020 2 1388 130 131 LEU C C 177.633 0.3 1 1389 130 131 LEU CA C 58.094 0.3 1 1390 130 131 LEU CB C 41.155 0.3 1 1391 130 131 LEU CG C 29.109 0.3 1 1392 130 131 LEU CD1 C 22.946 0.3 1 1393 130 131 LEU CD2 C 26.587 0.3 1 1394 130 131 LEU N N 120.135 0.3 1 1395 131 132 GLU H H 8.633 0.020 1 1396 131 132 GLU HA H 3.664 0.020 1 1397 131 132 GLU HB2 H 2.134 0.020 1 1398 131 132 GLU HB3 H 2.134 0.020 1 1399 131 132 GLU HG2 H 2.230 0.020 1 1400 131 132 GLU HG3 H 2.230 0.020 1 1401 131 132 GLU C C 177.710 0.3 1 1402 131 132 GLU CA C 60.261 0.3 1 1403 131 132 GLU CB C 28.047 0.3 1 1404 131 132 GLU CG C 35.956 0.3 1 1405 131 132 GLU N N 118.357 0.3 1 1406 132 133 GLN H H 7.855 0.020 1 1407 132 133 GLN HA H 3.889 0.020 1 1408 132 133 GLN HB2 H 2.176 0.020 1 1409 132 133 GLN HB3 H 2.176 0.020 1 1410 132 133 GLN HG2 H 2.331 0.020 2 1411 132 133 GLN HG3 H 2.227 0.020 2 1412 132 133 GLN HE21 H 7.499 0.020 1 1413 132 133 GLN HE22 H 6.777 0.020 1 1414 132 133 GLN C C 179.186 0.3 1 1415 132 133 GLN CA C 58.862 0.3 1 1416 132 133 GLN CB C 28.155 0.3 1 1417 132 133 GLN CG C 33.364 0.3 1 1418 132 133 GLN N N 117.204 0.3 1 1419 132 133 GLN NE2 N 111.335 0.3 1 1420 133 134 ARG H H 8.230 0.020 1 1421 133 134 ARG HA H 4.033 0.020 1 1422 133 134 ARG HB2 H 1.938 0.020 1 1423 133 134 ARG HB3 H 1.938 0.020 1 1424 133 134 ARG HG2 H 1.944 0.020 1 1425 133 134 ARG HG3 H 1.944 0.020 1 1426 133 134 ARG HD2 H 3.231 0.020 2 1427 133 134 ARG HD3 H 2.964 0.020 2 1428 133 134 ARG C C 180.068 0.3 1 1429 133 134 ARG CA C 59.460 0.3 1 1430 133 134 ARG CB C 29.800 0.3 1 1431 133 134 ARG CG C 27.549 0.3 1 1432 133 134 ARG CD C 43.689 0.3 1 1433 133 134 ARG N N 119.090 0.3 1 1434 134 135 LEU H H 8.711 0.020 1 1435 134 135 LEU HA H 4.030 0.020 1 1436 134 135 LEU HB2 H 1.945 0.020 2 1437 134 135 LEU HB3 H 1.205 0.020 2 1438 134 135 LEU HG H 1.897 0.020 1 1439 134 135 LEU HD1 H 0.763 0.020 2 1440 134 135 LEU HD2 H 0.747 0.020 2 1441 134 135 LEU C C 180.836 0.3 1 1442 134 135 LEU CA C 57.540 0.3 1 1443 134 135 LEU CB C 42.149 0.3 1 1444 134 135 LEU CG C 26.898 0.3 1 1445 134 135 LEU CD1 C 21.767 0.3 1 1446 134 135 LEU CD2 C 25.749 0.3 1 1447 134 135 LEU N N 119.600 0.3 1 1448 135 136 ARG H H 8.750 0.020 1 1449 135 136 ARG HA H 4.018 0.020 1 1450 135 136 ARG HB2 H 1.885 0.020 1 1451 135 136 ARG HB3 H 1.885 0.020 1 1452 135 136 ARG HG2 H 1.856 0.020 1 1453 135 136 ARG HG3 H 1.856 0.020 1 1454 135 136 ARG HD2 H 3.201 0.020 2 1455 135 136 ARG HD3 H 3.074 0.020 2 1456 135 136 ARG C C 178.956 0.3 1 1457 135 136 ARG CA C 59.577 0.3 1 1458 135 136 ARG CB C 29.673 0.3 1 1459 135 136 ARG CG C 26.515 0.3 1 1460 135 136 ARG CD C 43.235 0.3 1 1461 135 136 ARG N N 119.600 0.3 1 1462 136 137 GLN H H 7.758 0.020 1 1463 136 137 GLN HA H 4.095 0.020 1 1464 136 137 GLN HB2 H 2.174 0.020 1 1465 136 137 GLN HB3 H 2.174 0.020 1 1466 136 137 GLN HG2 H 2.578 0.020 2 1467 136 137 GLN HG3 H 2.480 0.020 2 1468 136 137 GLN C C 177.153 0.3 1 1469 136 137 GLN CA C 57.584 0.3 1 1470 136 137 GLN CB C 28.398 0.3 1 1471 136 137 GLN CG C 33.795 0.3 1 1472 136 137 GLN N N 117.230 0.3 1 1473 137 138 ARG H H 7.425 0.020 1 1474 137 138 ARG HA H 4.220 0.020 1 1475 137 138 ARG HB2 H 2.005 0.020 1 1476 137 138 ARG HB3 H 2.005 0.020 1 1477 137 138 ARG HG2 H 1.870 0.020 1 1478 137 138 ARG HG3 H 1.870 0.020 1 1479 137 138 ARG HD2 H 3.139 0.020 1 1480 137 138 ARG HD3 H 3.139 0.020 1 1481 137 138 ARG C C 176.731 0.3 1 1482 137 138 ARG CA C 57.117 0.3 1 1483 137 138 ARG CB C 30.796 0.3 1 1484 137 138 ARG CG C 26.850 0.3 1 1485 137 138 ARG CD C 43.421 0.3 1 1486 137 138 ARG N N 116.579 0.3 1 1487 138 139 ASN H H 7.842 0.020 1 1488 138 139 ASN HA H 4.667 0.020 1 1489 138 139 ASN HB2 H 3.067 0.020 2 1490 138 139 ASN HB3 H 2.734 0.020 2 1491 138 139 ASN HD21 H 7.585 0.020 1 1492 138 139 ASN HD22 H 6.759 0.020 1 1493 138 139 ASN C C 174.967 0.3 1 1494 138 139 ASN CA C 54.158 0.3 1 1495 138 139 ASN CB C 37.811 0.3 1 1496 138 139 ASN CG C 177.710 0.3 1 1497 138 139 ASN N N 114.987 0.3 1 1498 138 139 ASN ND2 N 112.479 0.3 1 1499 139 140 THR H H 7.901 0.020 1 1500 139 140 THR HA H 4.409 0.020 1 1501 139 140 THR HB H 4.323 0.020 1 1502 139 140 THR HG2 H 1.142 0.020 1 1503 139 140 THR C C 175.197 0.3 1 1504 139 140 THR CA C 61.502 0.3 1 1505 139 140 THR CB C 69.552 0.3 1 1506 139 140 THR CG2 C 21.491 0.3 1 1507 139 140 THR N N 108.145 0.3 1 1508 140 141 GLU H H 8.350 0.020 1 1509 140 141 GLU HA H 4.613 0.020 1 1510 140 141 GLU HB2 H 2.289 0.020 2 1511 140 141 GLU HB3 H 1.878 0.020 2 1512 140 141 GLU HG2 H 2.129 0.020 1 1513 140 141 GLU HG3 H 2.129 0.020 1 1514 140 141 GLU C C 177.192 0.3 1 1515 140 141 GLU CA C 54.535 0.3 1 1516 140 141 GLU CB C 31.732 0.3 1 1517 140 141 GLU CG C 36.016 0.3 1 1518 140 141 GLU N N 121.181 0.3 1 1519 141 142 THR H H 8.528 0.020 1 1520 141 142 THR HA H 4.530 0.020 1 1521 141 142 THR HB H 4.733 0.020 1 1522 141 142 THR HG2 H 1.345 0.020 1 1523 141 142 THR C C 175.331 0.3 1 1524 141 142 THR CA C 60.056 0.3 1 1525 141 142 THR CB C 71.030 0.3 1 1526 141 142 THR CG2 C 21.769 0.3 1 1527 141 142 THR N N 112.419 0.3 1 1528 142 143 GLU H H 8.933 0.020 1 1529 142 143 GLU HA H 4.019 0.020 1 1530 142 143 GLU HB2 H 2.054 0.020 1 1531 142 143 GLU HB3 H 2.054 0.020 1 1532 142 143 GLU HG2 H 2.395 0.020 1 1533 142 143 GLU HG3 H 2.395 0.020 1 1534 142 143 GLU C C 178.937 0.3 1 1535 142 143 GLU CA C 59.593 0.3 1 1536 142 143 GLU CB C 28.935 0.3 1 1537 142 143 GLU CG C 35.743 0.3 1 1538 142 143 GLU N N 121.180 0.3 1 1539 143 144 GLU H H 8.528 0.020 1 1540 143 144 GLU HA H 4.050 0.020 1 1541 143 144 GLU HB2 H 2.085 0.020 2 1542 143 144 GLU HB3 H 1.939 0.020 2 1543 143 144 GLU HG2 H 2.319 0.020 1 1544 143 144 GLU HG3 H 2.319 0.020 1 1545 143 144 GLU C C 179.205 0.3 1 1546 143 144 GLU CA C 59.439 0.3 1 1547 143 144 GLU CB C 29.415 0.3 1 1548 143 144 GLU CG C 36.232 0.3 1 1549 143 144 GLU N N 116.506 0.3 1 1550 144 145 SER H H 8.208 0.020 1 1551 144 145 SER HA H 3.970 0.020 1 1552 144 145 SER HB2 H 4.102 0.020 2 1553 144 145 SER HB3 H 4.195 0.020 2 1554 144 145 SER C C 177.441 0.3 1 1555 144 145 SER CA C 61.618 0.3 1 1556 144 145 SER CB C 61.613 0.3 1 1557 144 145 SER N N 117.251 0.3 1 1558 145 146 LEU H H 8.581 0.020 1 1559 145 146 LEU HA H 3.955 0.020 1 1560 145 146 LEU HB2 H 1.841 0.020 2 1561 145 146 LEU HB3 H 1.721 0.020 2 1562 145 146 LEU HG H 1.604 0.020 1 1563 145 146 LEU HD1 H 0.846 0.020 2 1564 145 146 LEU HD2 H 0.851 0.020 2 1565 145 146 LEU C C 178.496 0.3 1 1566 145 146 LEU CA C 58.141 0.3 1 1567 145 146 LEU CB C 41.549 0.3 1 1568 145 146 LEU CG C 26.981 0.3 1 1569 145 146 LEU CD1 C 25.530 0.3 1 1570 145 146 LEU CD2 C 25.096 0.3 1 1571 145 146 LEU N N 125.403 0.3 1 1572 146 147 VAL H H 7.856 0.020 1 1573 146 147 VAL HA H 3.600 0.020 1 1574 146 147 VAL HB H 2.169 0.020 1 1575 146 147 VAL HG1 H 1.134 0.020 2 1576 146 147 VAL HG2 H 0.990 0.020 2 1577 146 147 VAL C C 181.066 0.3 1 1578 146 147 VAL CA C 66.674 0.3 1 1579 146 147 VAL CB C 31.680 0.3 1 1580 146 147 VAL CG1 C 22.451 0.3 1 1581 146 147 VAL CG2 C 20.873 0.3 1 1582 146 147 VAL N N 117.321 0.3 1 1583 147 148 LYS H H 7.379 0.020 1 1584 147 148 LYS HA H 4.159 0.020 1 1585 147 148 LYS HB2 H 1.990 0.020 2 1586 147 148 LYS HB3 H 1.960 0.020 2 1587 147 148 LYS HG2 H 1.647 0.020 2 1588 147 148 LYS HG3 H 1.477 0.020 2 1589 147 148 LYS HD2 H 1.700 0.020 1 1590 147 148 LYS HD3 H 1.700 0.020 1 1591 147 148 LYS HE2 H 2.976 0.020 1 1592 147 148 LYS HE3 H 2.976 0.020 1 1593 147 148 LYS C C 179.992 0.3 1 1594 147 148 LYS CA C 59.307 0.3 1 1595 147 148 LYS CB C 32.237 0.3 1 1596 147 148 LYS CG C 25.286 0.3 1 1597 147 148 LYS CD C 29.177 0.3 1 1598 147 148 LYS CE C 41.693 0.3 1 1599 147 148 LYS N N 119.677 0.3 1 1600 148 149 ARG H H 8.497 0.020 1 1601 148 149 ARG HA H 4.164 0.020 1 1602 148 149 ARG HB2 H 2.018 0.020 2 1603 148 149 ARG HB3 H 1.879 0.020 2 1604 148 149 ARG HG2 H 1.874 0.020 2 1605 148 149 ARG HG3 H 1.749 0.020 2 1606 148 149 ARG HD2 H 3.144 0.020 1 1607 148 149 ARG HD3 H 3.144 0.020 1 1608 148 149 ARG C C 180.452 0.3 1 1609 148 149 ARG CA C 59.218 0.3 1 1610 148 149 ARG CB C 29.939 0.3 1 1611 148 149 ARG CG C 26.954 0.3 1 1612 148 149 ARG CD C 43.342 0.3 1 1613 148 149 ARG N N 120.934 0.3 1 1614 149 150 LEU H H 8.789 0.020 1 1615 149 150 LEU HA H 4.069 0.020 1 1616 149 150 LEU HB2 H 1.955 0.020 1 1617 149 150 LEU HB3 H 1.955 0.020 1 1618 149 150 LEU HG H 1.865 0.020 1 1619 149 150 LEU HD1 H 0.786 0.020 2 1620 149 150 LEU HD2 H 0.846 0.020 2 1621 149 150 LEU C C 178.707 0.3 1 1622 149 150 LEU CA C 57.711 0.3 1 1623 149 150 LEU CB C 40.736 0.3 1 1624 149 150 LEU CG C 26.900 0.3 1 1625 149 150 LEU CD1 C 22.424 0.3 1 1626 149 150 LEU CD2 C 25.322 0.3 1 1627 149 150 LEU N N 121.296 0.3 1 1628 150 151 ALA H H 7.986 0.020 1 1629 150 151 ALA HA H 4.236 0.020 1 1630 150 151 ALA HB H 1.547 0.020 1 1631 150 151 ALA C C 181.277 0.3 1 1632 150 151 ALA CA C 54.864 0.3 1 1633 150 151 ALA CB C 17.629 0.3 1 1634 150 151 ALA N N 122.593 0.3 1 1635 151 152 ALA H H 7.900 0.020 1 1636 151 152 ALA HA H 4.238 0.020 1 1637 151 152 ALA HB H 1.591 0.020 1 1638 151 152 ALA C C 180.222 0.3 1 1639 151 152 ALA CA C 54.602 0.3 1 1640 151 152 ALA CB C 17.751 0.3 1 1641 151 152 ALA N N 121.631 0.3 1 1642 152 153 ALA H H 8.275 0.020 1 1643 152 153 ALA HA H 4.248 0.020 1 1644 152 153 ALA HB H 1.505 0.020 1 1645 152 153 ALA C C 179.512 0.3 1 1646 152 153 ALA CA C 54.610 0.3 1 1647 152 153 ALA CB C 18.508 0.3 1 1648 152 153 ALA N N 121.027 0.3 1 1649 153 154 GLN H H 8.437 0.020 1 1650 153 154 GLN HA H 4.050 0.020 1 1651 153 154 GLN HB2 H 2.270 0.020 1 1652 153 154 GLN HB3 H 2.270 0.020 1 1653 153 154 GLN HG2 H 2.483 0.020 2 1654 153 154 GLN HG3 H 2.399 0.020 2 1655 153 154 GLN HE21 H 7.501 0.020 1 1656 153 154 GLN HE22 H 6.765 0.020 1 1657 153 154 GLN C C 178.208 0.3 1 1658 153 154 GLN CA C 59.198 0.3 1 1659 153 154 GLN CB C 28.047 0.3 1 1660 153 154 GLN CG C 33.366 0.3 1 1661 153 154 GLN N N 119.057 0.3 1 1662 153 154 GLN NE2 N 111.246 0.3 1 1663 154 155 ALA H H 7.569 0.020 1 1664 154 155 ALA HA H 4.264 0.020 1 1665 154 155 ALA HB H 1.560 0.020 1 1666 154 155 ALA C C 180.836 0.3 1 1667 154 155 ALA CA C 54.846 0.3 1 1668 154 155 ALA CB C 17.621 0.3 1 1669 154 155 ALA N N 121.294 0.3 1 1670 155 156 ASP H H 8.081 0.020 1 1671 155 156 ASP HA H 4.351 0.020 1 1672 155 156 ASP HB2 H 2.821 0.020 2 1673 155 156 ASP HB3 H 2.594 0.020 2 1674 155 156 ASP C C 179.934 0.3 1 1675 155 156 ASP CA C 57.584 0.3 1 1676 155 156 ASP CB C 41.399 0.3 1 1677 155 156 ASP N N 120.491 0.3 1 1678 156 157 MET H H 8.771 0.020 1 1679 156 157 MET HA H 4.082 0.020 1 1680 156 157 MET HB2 H 2.235 0.020 1 1681 156 157 MET HB3 H 2.235 0.020 1 1682 156 157 MET HG2 H 2.666 0.020 1 1683 156 157 MET HG3 H 2.666 0.020 1 1684 156 157 MET HE H 1.965 0.020 1 1685 156 157 MET C C 179.704 0.3 1 1686 156 157 MET CA C 59.231 0.3 1 1687 156 157 MET CB C 32.978 0.3 1 1688 156 157 MET CG C 31.822 0.3 1 1689 156 157 MET CE C 16.288 0.3 1 1690 156 157 MET N N 121.497 0.3 1 1691 157 158 GLU H H 8.337 0.020 1 1692 157 158 GLU HA H 4.083 0.020 1 1693 157 158 GLU HB2 H 2.177 0.020 1 1694 157 158 GLU HB3 H 2.177 0.020 1 1695 157 158 GLU HG2 H 2.403 0.020 1 1696 157 158 GLU HG3 H 2.403 0.020 1 1697 157 158 GLU C C 180.433 0.3 1 1698 157 158 GLU CA C 59.156 0.3 1 1699 157 158 GLU CB C 28.097 0.3 1 1700 157 158 GLU CG C 33.480 0.3 1 1701 157 158 GLU N N 120.231 0.3 1 1702 158 159 SER H H 8.404 0.020 1 1703 158 159 SER HA H 4.345 0.020 1 1704 158 159 SER HB2 H 3.989 0.020 1 1705 158 159 SER HB3 H 3.989 0.020 1 1706 158 159 SER C C 175.964 0.3 1 1707 158 159 SER CA C 61.871 0.3 1 1708 158 159 SER CB C 62.898 0.3 1 1709 158 159 SER N N 116.307 0.3 1 1710 159 160 SER H H 7.761 0.020 1 1711 159 160 SER HA H 4.343 0.020 1 1712 159 160 SER HB2 H 3.889 0.020 1 1713 159 160 SER HB3 H 3.889 0.020 1 1714 159 160 SER C C 173.989 0.3 1 1715 159 160 SER CA C 61.368 0.3 1 1716 159 160 SER CB C 62.727 0.3 1 1717 159 160 SER N N 114.760 0.3 1 1718 160 161 LYS H H 7.254 0.020 1 1719 160 161 LYS HA H 4.311 0.020 1 1720 160 161 LYS HB2 H 2.071 0.020 2 1721 160 161 LYS HB3 H 1.835 0.020 2 1722 160 161 LYS HG2 H 1.599 0.020 2 1723 160 161 LYS HG3 H 1.477 0.020 2 1724 160 161 LYS HD2 H 1.625 0.020 1 1725 160 161 LYS HD3 H 1.625 0.020 1 1726 160 161 LYS HE2 H 2.954 0.020 1 1727 160 161 LYS HE3 H 2.954 0.020 1 1728 160 161 LYS C C 176.827 0.3 1 1729 160 161 LYS CA C 55.833 0.3 1 1730 160 161 LYS CB C 32.347 0.3 1 1731 160 161 LYS CG C 25.219 0.3 1 1732 160 161 LYS CD C 28.743 0.3 1 1733 160 161 LYS CE C 41.833 0.3 1 1734 160 161 LYS N N 119.107 0.3 1 1735 161 162 GLU H H 7.566 0.020 1 1736 161 162 GLU HA H 4.416 0.020 1 1737 161 162 GLU HB2 H 2.213 0.020 2 1738 161 162 GLU HB3 H 2.043 0.020 2 1739 161 162 GLU HG2 H 2.369 0.020 2 1740 161 162 GLU HG3 H 2.051 0.020 2 1741 161 162 GLU CA C 54.673 0.3 1 1742 161 162 GLU CB C 30.052 0.3 1 1743 161 162 GLU CG C 35.675 0.3 1 1744 161 162 GLU N N 123.889 0.3 1 1745 162 163 PRO HA H 4.332 0.020 1 1746 162 163 PRO HB2 H 2.280 0.020 2 1747 162 163 PRO HB3 H 1.959 0.020 2 1748 162 163 PRO HG2 H 2.013 0.020 1 1749 162 163 PRO HG3 H 2.013 0.020 1 1750 162 163 PRO HD2 H 4.170 0.020 2 1751 162 163 PRO HD3 H 3.635 0.020 2 1752 162 163 PRO C C 178.419 0.3 1 1753 162 163 PRO CA C 64.139 0.3 1 1754 162 163 PRO CB C 31.904 0.3 1 1755 162 163 PRO CG C 27.820 0.3 1 1756 162 163 PRO CD C 51.225 0.3 1 1757 163 164 GLY H H 9.015 0.020 1 1758 163 164 GLY HA2 H 4.033 0.020 2 1759 163 164 GLY HA3 H 3.677 0.020 2 1760 163 164 GLY C C 174.142 0.3 1 1761 163 164 GLY CA C 45.020 0.3 1 1762 163 164 GLY N N 113.314 0.3 1 1763 164 165 LEU H H 7.448 0.020 1 1764 164 165 LEU HA H 3.584 0.020 1 1765 164 165 LEU HB2 H 1.737 0.020 2 1766 164 165 LEU HB3 H 1.112 0.020 2 1767 164 165 LEU HG H 0.415 0.020 1 1768 164 165 LEU HD1 H 0.412 0.020 2 1769 164 165 LEU HD2 H 0.691 0.020 2 1770 164 165 LEU C C 175.696 0.3 1 1771 164 165 LEU CA C 57.647 0.3 1 1772 164 165 LEU CB C 41.999 0.3 1 1773 164 165 LEU CG C 25.916 0.3 1 1774 164 165 LEU CD1 C 22.979 0.3 1 1775 164 165 LEU CD2 C 26.437 0.3 1 1776 164 165 LEU N N 122.854 0.3 1 1777 165 166 PHE H H 8.009 0.020 1 1778 165 166 PHE HA H 4.516 0.020 1 1779 165 166 PHE HB2 H 2.918 0.020 2 1780 165 166 PHE HB3 H 2.457 0.020 2 1781 165 166 PHE HD1 H 7.107 0.020 1 1782 165 166 PHE HD2 H 7.107 0.020 1 1783 165 166 PHE HE1 H 7.143 0.020 1 1784 165 166 PHE HE2 H 7.143 0.020 1 1785 165 166 PHE C C 175.811 0.3 1 1786 165 166 PHE CA C 57.152 0.3 1 1787 165 166 PHE CB C 40.512 0.3 1 1788 165 166 PHE N N 111.621 0.3 1 1789 166 167 ASP H H 9.232 0.020 1 1790 166 167 ASP HA H 4.573 0.020 1 1791 166 167 ASP HB2 H 2.882 0.020 1 1792 166 167 ASP HB3 H 2.882 0.020 1 1793 166 167 ASP C C 176.597 0.3 1 1794 166 167 ASP CA C 57.305 0.3 1 1795 166 167 ASP CB C 42.711 0.3 1 1796 166 167 ASP N N 122.377 0.3 1 1797 167 168 VAL H H 7.837 0.020 1 1798 167 168 VAL HA H 4.295 0.020 1 1799 167 168 VAL HB H 1.902 0.020 1 1800 167 168 VAL HG1 H 0.876 0.020 2 1801 167 168 VAL HG2 H 0.890 0.020 2 1802 167 168 VAL C C 173.394 0.3 1 1803 167 168 VAL CA C 60.891 0.3 1 1804 167 168 VAL CB C 36.478 0.3 1 1805 167 168 VAL CG1 C 21.039 0.3 1 1806 167 168 VAL CG2 C 20.695 0.3 1 1807 167 168 VAL N N 116.867 0.3 1 1808 168 169 VAL H H 8.616 0.020 1 1809 168 169 VAL HA H 4.573 0.020 1 1810 168 169 VAL HB H 1.902 0.020 1 1811 168 169 VAL HG1 H 0.654 0.020 2 1812 168 169 VAL HG2 H 0.864 0.020 2 1813 168 169 VAL C C 175.312 0.3 1 1814 168 169 VAL CA C 61.163 0.3 1 1815 168 169 VAL CB C 32.643 0.3 1 1816 168 169 VAL CG1 C 20.739 0.3 1 1817 168 169 VAL CG2 C 20.739 0.3 1 1818 168 169 VAL N N 127.473 0.3 1 1819 169 170 ILE H H 9.361 0.020 1 1820 169 170 ILE HA H 4.134 0.020 1 1821 169 170 ILE HB H 1.641 0.020 1 1822 169 170 ILE HG12 H 1.400 0.020 2 1823 169 170 ILE HG13 H 1.050 0.020 2 1824 169 170 ILE HG2 H 0.796 0.020 1 1825 169 170 ILE HD1 H 0.653 0.020 1 1826 169 170 ILE C C 174.046 0.3 1 1827 169 170 ILE CA C 59.866 0.3 1 1828 169 170 ILE CB C 40.829 0.3 1 1829 169 170 ILE CG1 C 27.291 0.3 1 1830 169 170 ILE CG2 C 16.457 0.3 1 1831 169 170 ILE CD1 C 13.073 0.3 1 1832 169 170 ILE N N 130.131 0.3 1 1833 170 171 ILE H H 9.297 0.020 1 1834 170 171 ILE HA H 4.277 0.020 1 1835 170 171 ILE HB H 1.993 0.020 1 1836 170 171 ILE HG12 H 1.381 0.020 2 1837 170 171 ILE HG13 H 1.180 0.020 2 1838 170 171 ILE HG2 H 0.633 0.020 1 1839 170 171 ILE HD1 H 0.660 0.020 1 1840 170 171 ILE C C 176.252 0.3 1 1841 170 171 ILE CA C 58.615 0.3 1 1842 170 171 ILE CB C 35.998 0.3 1 1843 170 171 ILE CG1 C 26.885 0.3 1 1844 170 171 ILE CG2 C 17.357 0.3 1 1845 170 171 ILE CD1 C 11.411 0.3 1 1846 170 171 ILE N N 128.701 0.3 1 1847 171 172 ASN H H 9.041 0.020 1 1848 171 172 ASN HA H 4.762 0.020 1 1849 171 172 ASN HB2 H 2.917 0.020 2 1850 171 172 ASN HB3 H 2.007 0.020 2 1851 171 172 ASN HD21 H 7.620 0.020 1 1852 171 172 ASN HD22 H 5.820 0.020 1 1853 171 172 ASN C C 174.162 0.3 1 1854 171 172 ASN CA C 51.469 0.3 1 1855 171 172 ASN CB C 36.655 0.3 1 1856 171 172 ASN N N 125.516 0.3 1 1857 171 172 ASN ND2 N 105.433 0.3 1 1858 172 173 ASP H H 8.507 0.020 1 1859 172 173 ASP HA H 4.563 0.020 1 1860 172 173 ASP HB2 H 2.774 0.020 2 1861 172 173 ASP HB3 H 2.484 0.020 2 1862 172 173 ASP C C 176.041 0.3 1 1863 172 173 ASP CA C 55.656 0.3 1 1864 172 173 ASP CB C 41.888 0.3 1 1865 172 173 ASP N N 126.425 0.3 1 1866 173 174 SER H H 8.301 0.020 1 1867 173 174 SER HA H 4.647 0.020 1 1868 173 174 SER HB2 H 4.019 0.020 2 1869 173 174 SER HB3 H 3.869 0.020 2 1870 173 174 SER C C 174.756 0.3 1 1871 173 174 SER CA C 56.207 0.3 1 1872 173 174 SER CB C 64.028 0.3 1 1873 173 174 SER N N 113.148 0.3 1 1874 174 175 LEU H H 8.767 0.020 1 1875 174 175 LEU HA H 4.138 0.020 1 1876 174 175 LEU HB2 H 1.735 0.020 2 1877 174 175 LEU HB3 H 1.513 0.020 2 1878 174 175 LEU HG H 1.642 0.020 1 1879 174 175 LEU HD1 H 0.844 0.020 2 1880 174 175 LEU HD2 H 0.879 0.020 2 1881 174 175 LEU C C 178.879 0.3 1 1882 174 175 LEU CA C 58.012 0.3 1 1883 174 175 LEU CB C 41.768 0.3 1 1884 174 175 LEU CG C 27.161 0.3 1 1885 174 175 LEU CD1 C 24.646 0.3 1 1886 174 175 LEU CD2 C 24.532 0.3 1 1887 174 175 LEU N N 130.090 0.3 1 1888 175 176 ASP H H 8.480 0.020 1 1889 175 176 ASP HA H 4.352 0.020 1 1890 175 176 ASP HB2 H 2.692 0.020 2 1891 175 176 ASP HB3 H 2.551 0.020 2 1892 175 176 ASP C C 179.225 0.3 1 1893 175 176 ASP CA C 57.642 0.3 1 1894 175 176 ASP CB C 40.082 0.3 1 1895 175 176 ASP N N 116.385 0.3 1 1896 176 177 GLN H H 7.478 0.020 1 1897 176 177 GLN HA H 4.204 0.020 1 1898 176 177 GLN HB2 H 2.372 0.020 2 1899 176 177 GLN HB3 H 2.185 0.020 2 1900 176 177 GLN HG2 H 2.481 0.020 1 1901 176 177 GLN HG3 H 2.481 0.020 1 1902 176 177 GLN HE21 H 7.451 0.020 1 1903 176 177 GLN HE22 H 6.808 0.020 1 1904 176 177 GLN C C 177.422 0.3 1 1905 176 177 GLN CA C 57.922 0.3 1 1906 176 177 GLN CB C 27.484 0.3 1 1907 176 177 GLN CG C 33.825 0.3 1 1908 176 177 GLN N N 122.063 0.3 1 1909 176 177 GLN NE2 N 111.464 0.3 1 1910 177 178 ALA H H 8.482 0.020 1 1911 177 178 ALA HA H 4.014 0.020 1 1912 177 178 ALA HB H 1.385 0.020 1 1913 177 178 ALA C C 177.633 0.3 1 1914 177 178 ALA CA C 54.650 0.3 1 1915 177 178 ALA CB C 18.834 0.3 1 1916 177 178 ALA N N 123.478 0.3 1 1917 178 179 TYR H H 8.826 0.020 1 1918 178 179 TYR HA H 4.023 0.020 1 1919 178 179 TYR HB2 H 3.054 0.020 2 1920 178 179 TYR HB3 H 2.920 0.020 2 1921 178 179 TYR HD1 H 7.019 0.020 1 1922 178 179 TYR HD2 H 7.019 0.020 1 1923 178 179 TYR HE1 H 6.699 0.020 1 1924 178 179 TYR HE2 H 6.699 0.020 1 1925 178 179 TYR C C 176.693 0.3 1 1926 178 179 TYR CA C 61.533 0.3 1 1927 178 179 TYR CB C 37.938 0.3 1 1928 178 179 TYR CD1 C 132.348 0.3 1 1929 178 179 TYR CE1 C 118.589 0.3 1 1930 178 179 TYR N N 117.330 0.3 1 1931 179 180 ALA H H 7.677 0.020 1 1932 179 180 ALA HA H 3.833 0.020 1 1933 179 180 ALA HB H 1.562 0.020 1 1934 179 180 ALA C C 181.277 0.3 1 1935 179 180 ALA CA C 55.278 0.3 1 1936 179 180 ALA CB C 17.312 0.3 1 1937 179 180 ALA N N 120.711 0.3 1 1938 180 181 GLU H H 7.944 0.020 1 1939 180 181 GLU HA H 4.001 0.020 1 1940 180 181 GLU HB2 H 2.170 0.020 2 1941 180 181 GLU HB3 H 2.113 0.020 2 1942 180 181 GLU HG2 H 2.636 0.020 2 1943 180 181 GLU HG3 H 2.241 0.020 2 1944 180 181 GLU C C 179.455 0.3 1 1945 180 181 GLU CA C 59.074 0.3 1 1946 180 181 GLU CB C 29.206 0.3 1 1947 180 181 GLU CG C 36.890 0.3 1 1948 180 181 GLU N N 118.070 0.3 1 1949 181 182 LEU H H 8.257 0.020 1 1950 181 182 LEU HA H 3.839 0.020 1 1951 181 182 LEU HB2 H 1.339 0.020 2 1952 181 182 LEU HB3 H 1.321 0.020 2 1953 181 182 LEU HG H 1.288 0.020 1 1954 181 182 LEU HD1 H 0.783 0.020 2 1955 181 182 LEU HD2 H 0.746 0.020 2 1956 181 182 LEU C C 177.211 0.3 1 1957 181 182 LEU CA C 57.898 0.3 1 1958 181 182 LEU CB C 41.769 0.3 1 1959 181 182 LEU CG C 25.906 0.3 1 1960 181 182 LEU CD1 C 27.409 0.3 1 1961 181 182 LEU CD2 C 23.645 0.3 1 1962 181 182 LEU N N 124.076 0.3 1 1963 182 183 LYS H H 8.262 0.020 1 1964 182 183 LYS HA H 3.405 0.020 1 1965 182 183 LYS HB2 H 1.489 0.020 2 1966 182 183 LYS HB3 H 1.448 0.020 2 1967 182 183 LYS HG2 H 1.031 0.020 2 1968 182 183 LYS HG3 H 0.963 0.020 2 1969 182 183 LYS HD2 H 1.659 0.020 2 1970 182 183 LYS HD3 H 1.644 0.020 2 1971 182 183 LYS HE2 H 2.866 0.020 1 1972 182 183 LYS HE3 H 2.866 0.020 1 1973 182 183 LYS C C 179.512 0.3 1 1974 182 183 LYS CA C 60.572 0.3 1 1975 182 183 LYS CB C 31.302 0.3 1 1976 182 183 LYS CG C 25.397 0.3 1 1977 182 183 LYS CD C 29.130 0.3 1 1978 182 183 LYS CE C 41.129 0.3 1 1979 182 183 LYS N N 116.924 0.3 1 1980 183 184 GLU H H 7.943 0.020 1 1981 183 184 GLU HA H 4.030 0.020 1 1982 183 184 GLU HB2 H 2.099 0.020 2 1983 183 184 GLU HB3 H 2.051 0.020 2 1984 183 184 GLU HG2 H 2.304 0.020 2 1985 183 184 GLU HG3 H 2.117 0.020 2 1986 183 184 GLU C C 179.819 0.3 1 1987 183 184 GLU CA C 59.333 0.3 1 1988 183 184 GLU CB C 28.978 0.3 1 1989 183 184 GLU CG C 35.842 0.3 1 1990 183 184 GLU N N 118.452 0.3 1 1991 184 185 ALA H H 7.984 0.020 1 1992 184 185 ALA HA H 4.194 0.020 1 1993 184 185 ALA HB H 1.529 0.020 1 1994 184 185 ALA C C 179.512 0.3 1 1995 184 185 ALA CA C 54.301 0.3 1 1996 184 185 ALA CB C 18.084 0.3 1 1997 184 185 ALA N N 121.465 0.3 1 1998 185 186 LEU H H 7.293 0.020 1 1999 185 186 LEU HA H 4.442 0.020 1 2000 185 186 LEU HB2 H 1.755 0.020 2 2001 185 186 LEU HB3 H 1.661 0.020 2 2002 185 186 LEU HG H 1.694 0.020 1 2003 185 186 LEU HD1 H 0.792 0.020 2 2004 185 186 LEU HD2 H 0.817 0.020 2 2005 185 186 LEU C C 177.575 0.3 1 2006 185 186 LEU CA C 53.704 0.3 1 2007 185 186 LEU CB C 41.733 0.3 1 2008 185 186 LEU CG C 29.283 0.3 1 2009 185 186 LEU CD1 C 26.025 0.3 1 2010 185 186 LEU CD2 C 23.293 0.3 1 2011 185 186 LEU N N 113.935 0.3 1 2012 186 187 SER H H 7.589 0.020 1 2013 186 187 SER HA H 3.958 0.020 1 2014 186 187 SER HB2 H 4.126 0.020 2 2015 186 187 SER HB3 H 3.891 0.020 2 2016 186 187 SER C C 176.482 0.3 1 2017 186 187 SER CA C 62.459 0.3 1 2018 186 187 SER CB C 62.459 0.3 1 2019 186 187 SER N N 116.641 0.3 1 2020 187 188 GLU H H 8.551 0.020 1 2021 187 188 GLU HA H 4.065 0.020 1 2022 187 188 GLU HB2 H 2.062 0.020 1 2023 187 188 GLU HB3 H 2.062 0.020 1 2024 187 188 GLU HG2 H 2.368 0.020 2 2025 187 188 GLU HG3 H 2.245 0.020 2 2026 187 188 GLU C C 179.014 0.3 1 2027 187 188 GLU CA C 59.027 0.3 1 2028 187 188 GLU CB C 28.772 0.3 1 2029 187 188 GLU CG C 36.204 0.3 1 2030 187 188 GLU N N 120.090 0.3 1 2031 188 189 GLU H H 7.566 0.020 1 2032 188 189 GLU HA H 4.084 0.020 1 2033 188 189 GLU HB2 H 2.304 0.020 2 2034 188 189 GLU HB3 H 2.085 0.020 2 2035 188 189 GLU HG2 H 2.419 0.020 2 2036 188 189 GLU HG3 H 2.372 0.020 2 2037 188 189 GLU C C 178.879 0.3 1 2038 188 189 GLU CA C 57.481 0.3 1 2039 188 189 GLU CB C 29.107 0.3 1 2040 188 189 GLU CG C 35.978 0.3 1 2041 188 189 GLU N N 118.824 0.3 1 2042 189 190 ILE H H 8.402 0.020 1 2043 189 190 ILE HA H 3.205 0.020 1 2044 189 190 ILE HB H 1.664 0.020 1 2045 189 190 ILE HG12 H 0.160 0.020 2 2046 189 190 ILE HG13 H 0.139 0.020 2 2047 189 190 ILE HG2 H 0.685 0.020 1 2048 189 190 ILE HD1 H 0.515 0.020 1 2049 189 190 ILE C C 177.671 0.3 1 2050 189 190 ILE CA C 65.828 0.3 1 2051 189 190 ILE CB C 38.078 0.3 1 2052 189 190 ILE CG1 C 24.227 0.3 1 2053 189 190 ILE CG2 C 16.233 0.3 1 2054 189 190 ILE CD1 C 12.944 0.3 1 2055 189 190 ILE N N 120.418 0.3 1 2056 190 191 LYS H H 7.752 0.020 1 2057 190 191 LYS HA H 4.051 0.020 1 2058 190 191 LYS HB2 H 1.833 0.020 1 2059 190 191 LYS HB3 H 1.833 0.020 1 2060 190 191 LYS HG2 H 1.406 0.020 1 2061 190 191 LYS HG3 H 1.406 0.020 1 2062 190 191 LYS HD2 H 1.622 0.020 1 2063 190 191 LYS HD3 H 1.622 0.020 1 2064 190 191 LYS HE2 H 2.907 0.020 1 2065 190 191 LYS HE3 H 2.907 0.020 1 2066 190 191 LYS C C 179.762 0.3 1 2067 190 191 LYS CA C 59.495 0.3 1 2068 190 191 LYS CB C 32.274 0.3 1 2069 190 191 LYS CG C 25.385 0.3 1 2070 190 191 LYS CD C 28.969 0.3 1 2071 190 191 LYS CE C 41.676 0.3 1 2072 190 191 LYS N N 117.623 0.3 1 2073 191 192 LYS H H 7.456 0.020 1 2074 191 192 LYS HA H 3.948 0.020 1 2075 191 192 LYS HB2 H 1.832 0.020 1 2076 191 192 LYS HB3 H 1.832 0.020 1 2077 191 192 LYS HG2 H 1.598 0.020 2 2078 191 192 LYS HG3 H 1.346 0.020 2 2079 191 192 LYS HD2 H 1.606 0.020 1 2080 191 192 LYS HD3 H 1.606 0.020 1 2081 191 192 LYS HE2 H 2.880 0.020 1 2082 191 192 LYS HE3 H 2.880 0.020 1 2083 191 192 LYS C C 178.975 0.3 1 2084 191 192 LYS CA C 59.283 0.3 1 2085 191 192 LYS CB C 31.982 0.3 1 2086 191 192 LYS CG C 25.305 0.3 1 2087 191 192 LYS CD C 29.426 0.3 1 2088 191 192 LYS CE C 40.996 0.3 1 2089 191 192 LYS N N 118.256 0.3 1 2090 192 193 ALA H H 7.814 0.020 1 2091 192 193 ALA HA H 4.159 0.020 1 2092 192 193 ALA HB H 1.379 0.020 1 2093 192 193 ALA C C 178.630 0.3 1 2094 192 193 ALA CA C 53.713 0.3 1 2095 192 193 ALA CB C 19.156 0.3 1 2096 192 193 ALA N N 121.596 0.3 1 2097 193 194 GLN H H 7.911 0.020 1 2098 193 194 GLN HA H 4.123 0.020 1 2099 193 194 GLN HB2 H 2.178 0.020 2 2100 193 194 GLN HB3 H 2.116 0.020 2 2101 193 194 GLN HG2 H 2.606 0.020 2 2102 193 194 GLN HG3 H 2.358 0.020 2 2103 193 194 GLN HE21 H 7.405 0.020 1 2104 193 194 GLN HE22 H 6.864 0.020 1 2105 193 194 GLN C C 176.808 0.3 1 2106 193 194 GLN CA C 56.641 0.3 1 2107 193 194 GLN CB C 28.545 0.3 1 2108 193 194 GLN CG C 34.452 0.3 1 2109 193 194 GLN N N 115.485 0.3 1 2110 193 194 GLN NE2 N 111.011 0.3 1 2111 194 195 ARG H H 7.700 0.020 1 2112 194 195 ARG HA H 4.292 0.020 1 2113 194 195 ARG HB2 H 1.902 0.020 1 2114 194 195 ARG HB3 H 1.902 0.020 1 2115 194 195 ARG HG2 H 1.678 0.020 1 2116 194 195 ARG HG3 H 1.678 0.020 1 2117 194 195 ARG HD2 H 3.203 0.020 1 2118 194 195 ARG HD3 H 3.203 0.020 1 2119 194 195 ARG C C 176.674 0.3 1 2120 194 195 ARG CA C 56.782 0.3 1 2121 194 195 ARG CB C 30.277 0.3 1 2122 194 195 ARG CG C 27.124 0.3 1 2123 194 195 ARG CD C 43.417 0.3 1 2124 194 195 ARG N N 119.522 0.3 1 2125 195 196 THR H H 8.049 0.020 1 2126 195 196 THR HA H 4.348 0.020 1 2127 195 196 THR HB H 4.257 0.020 1 2128 195 196 THR HG2 H 1.220 0.020 1 2129 195 196 THR C C 175.178 0.3 1 2130 195 196 THR CA C 61.865 0.3 1 2131 195 196 THR CB C 69.457 0.3 1 2132 195 196 THR CG2 C 21.368 0.3 1 2133 195 196 THR N N 113.783 0.3 1 2134 196 197 GLY H H 8.301 0.020 1 2135 196 197 GLY HA2 H 3.962 0.020 2 2136 196 197 GLY HA3 H 3.941 0.020 2 2137 196 197 GLY C C 172.877 0.3 1 2138 196 197 GLY CA C 45.044 0.3 1 2139 196 197 GLY N N 111.496 0.3 1 2140 197 198 ALA H H 7.841 0.020 1 2141 197 198 ALA HA H 4.137 0.020 1 2142 197 198 ALA HB H 1.319 0.020 1 2143 197 198 ALA CA C 53.544 0.3 1 2144 197 198 ALA CB C 19.894 0.3 1 2145 197 198 ALA N N 129.272 0.3 1 stop_ save_