data_34336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural and functional insights into the condensin ATPase cycle ; _BMRB_accession_number 34336 _BMRB_flat_file_name bmr34336.str _Entry_type original _Submission_date 2018-12-10 _Accession_date 2018-12-10 _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 Simon B. . . 2 Hassler M. . . 3 Haering C. H. . 4 Hennig J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1036 "13C chemical shifts" 695 "15N chemical shifts" 224 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-27 original BMRB . stop_ _Original_release_date 2019-04-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of an Asymmetric Condensin ATPase Cycle. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31226277 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hassler Markus . . 2 Shaltiel Indra A. . 3 Kschonsak Marc . . 4 Simon Bernd . . 5 Merkel Fabian . . 6 Tharichen Lena . . 7 Bailey Henry J. . 8 Macosek Jakub . . 9 Bravo Sol . . 10 Metz Jutta . . 11 Hennig Janosch . . 12 Haering Christian H. . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_name_full 'Molecular cell' _Journal_volume 74 _Journal_issue 6 _Journal_ISSN 1097-4164 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1175 _Page_last 1188 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Condensin complex subunit 2, Structural maintenance of chromosomes protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 25200.189 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 221 _Mol_residue_sequence ; GHMRAVTPMKRVPILANFEE WMKMATDNKINAANSWNFAL IDYFHDMSLLKEGDSVNFQK ASCTLDGCVKIYTSRVDSVA TETGKLLSGLADSRDSKKKD REDGGGSGGSLRKKINPKVM NMIDSVEKKEMSLKHMMKTV LKDKHKIEETIATLDEYKRK ASGGSAGTRMFEDRKEKALK TMAKKDLKLQEITELLRDEI EPKLEKLRQEKRAFLDFQQT Q ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ARG 5 ALA 6 VAL 7 THR 8 PRO 9 MET 10 LYS 11 ARG 12 VAL 13 PRO 14 ILE 15 LEU 16 ALA 17 ASN 18 PHE 19 GLU 20 GLU 21 TRP 22 MET 23 LYS 24 MET 25 ALA 26 THR 27 ASP 28 ASN 29 LYS 30 ILE 31 ASN 32 ALA 33 ALA 34 ASN 35 SER 36 TRP 37 ASN 38 PHE 39 ALA 40 LEU 41 ILE 42 ASP 43 TYR 44 PHE 45 HIS 46 ASP 47 MET 48 SER 49 LEU 50 LEU 51 LYS 52 GLU 53 GLY 54 ASP 55 SER 56 VAL 57 ASN 58 PHE 59 GLN 60 LYS 61 ALA 62 SER 63 CYS 64 THR 65 LEU 66 ASP 67 GLY 68 CYS 69 VAL 70 LYS 71 ILE 72 TYR 73 THR 74 SER 75 ARG 76 VAL 77 ASP 78 SER 79 VAL 80 ALA 81 THR 82 GLU 83 THR 84 GLY 85 LYS 86 LEU 87 LEU 88 SER 89 GLY 90 LEU 91 ALA 92 ASP 93 SER 94 ARG 95 ASP 96 SER 97 LYS 98 LYS 99 LYS 100 ASP 101 ARG 102 GLU 103 ASP 104 GLY 105 GLY 106 GLY 107 SER 108 GLY 109 GLY 110 SER 111 LEU 112 ARG 113 LYS 114 LYS 115 ILE 116 ASN 117 PRO 118 LYS 119 VAL 120 MET 121 ASN 122 MET 123 ILE 124 ASP 125 SER 126 VAL 127 GLU 128 LYS 129 LYS 130 GLU 131 MET 132 SER 133 LEU 134 LYS 135 HIS 136 MET 137 MET 138 LYS 139 THR 140 VAL 141 LEU 142 LYS 143 ASP 144 LYS 145 HIS 146 LYS 147 ILE 148 GLU 149 GLU 150 THR 151 ILE 152 ALA 153 THR 154 LEU 155 ASP 156 GLU 157 TYR 158 LYS 159 ARG 160 LYS 161 ALA 162 SER 163 GLY 164 GLY 165 SER 166 ALA 167 GLY 168 THR 169 ARG 170 MET 171 PHE 172 GLU 173 ASP 174 ARG 175 LYS 176 GLU 177 LYS 178 ALA 179 LEU 180 LYS 181 THR 182 MET 183 ALA 184 LYS 185 LYS 186 ASP 187 LEU 188 LYS 189 LEU 190 GLN 191 GLU 192 ILE 193 THR 194 GLU 195 LEU 196 LEU 197 ARG 198 ASP 199 GLU 200 ILE 201 GLU 202 PRO 203 LYS 204 LEU 205 GLU 206 LYS 207 LEU 208 ARG 209 GLN 210 GLU 211 LYS 212 ARG 213 ALA 214 PHE 215 LEU 216 ASP 217 PHE 218 GLN 219 GLN 220 THR 221 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Chaetomium thermophilum' 209285 Eukaryota Fungi Chaetomium thermophilum CTHT_0053810 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity_1 'recombinant technology' . . . . 'Rosetta pLysS' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.8 mM [U-100% 13C; U-100% 15N] Ct Smc2 Brn1 fusion protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-100% 13C; U-100% 15N] Ct Smc2 Brn1 fusion protein, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.4 mM [U-100% 13C; U-100% 15N;U-100% 2H] Ct Smc2 Brn1 fusion protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-100% 13C; U-100% 15N; U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _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_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1.0 water N 15 protons ppm 4.773 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 HIS HD2 H 7.273 . . 2 2 2 HIS CD2 C 119.306 . . 3 3 3 MET HA H 4.448 . . 4 3 3 MET HB2 H 2.020 . . 5 3 3 MET CA C 55.595 . . 6 3 3 MET CB C 32.730 . . 7 4 4 ARG H H 8.465 . . 8 4 4 ARG HA H 4.289 . . 9 4 4 ARG HB2 H 1.808 . . 10 4 4 ARG HB3 H 1.735 . . 11 4 4 ARG HG2 H 1.627 . . 12 4 4 ARG HD2 H 3.180 . . 13 4 4 ARG CA C 56.016 . . 14 4 4 ARG CB C 30.910 . . 15 4 4 ARG CG C 27.156 . . 16 4 4 ARG CD C 43.400 . . 17 4 4 ARG N N 123.395 . . 18 5 5 ALA H H 8.389 . . 19 5 5 ALA HA H 4.378 . . 20 5 5 ALA HB H 1.366 . . 21 5 5 ALA CA C 52.177 . . 22 5 5 ALA CB C 19.330 . . 23 5 5 ALA N N 126.184 . . 24 6 6 VAL H H 8.240 . . 25 6 6 VAL HA H 4.147 . . 26 6 6 VAL HB H 2.032 . . 27 6 6 VAL HG1 H 0.919 . . 28 6 6 VAL HG2 H 0.899 . . 29 6 6 VAL CA C 62.056 . . 30 6 6 VAL CB C 32.964 . . 31 6 6 VAL CG1 C 20.594 . . 32 6 6 VAL CG2 C 21.241 . . 33 6 6 VAL N N 120.353 . . 34 7 7 THR H H 8.308 . . 35 7 7 THR HA H 4.568 . . 36 7 7 THR HB H 4.137 . . 37 7 7 THR HG2 H 1.257 . . 38 7 7 THR CA C 59.813 . . 39 7 7 THR CB C 69.799 . . 40 7 7 THR CG2 C 21.414 . . 41 7 7 THR N N 121.367 . . 42 8 8 PRO HA H 4.418 . . 43 8 8 PRO HB2 H 2.317 . . 44 8 8 PRO HB3 H 1.929 . . 45 8 8 PRO HG2 H 2.050 . . 46 8 8 PRO HG3 H 1.998 . . 47 8 8 PRO HD2 H 3.892 . . 48 8 8 PRO HD3 H 3.721 . . 49 8 8 PRO CA C 63.157 . . 50 8 8 PRO CB C 32.352 . . 51 8 8 PRO CG C 27.505 . . 52 8 8 PRO CD C 51.198 . . 53 9 9 MET H H 8.455 . . 54 9 9 MET HA H 4.397 . . 55 9 9 MET HB2 H 2.046 . . 56 9 9 MET HE H 2.080 . . 57 9 9 MET CA C 55.804 . . 58 9 9 MET CB C 33.178 . . 59 9 9 MET CE C 16.901 . . 60 9 9 MET N N 120.987 . . 61 10 10 LYS H H 8.338 . . 62 10 10 LYS HA H 4.288 . . 63 10 10 LYS HB2 H 1.775 . . 64 10 10 LYS HB3 H 1.816 . . 65 10 10 LYS HG2 H 1.420 . . 66 10 10 LYS HD2 H 1.666 . . 67 10 10 LYS HE2 H 2.980 . . 68 10 10 LYS CA C 56.550 . . 69 10 10 LYS CB C 32.888 . . 70 10 10 LYS CG C 24.811 . . 71 10 10 LYS CD C 28.963 . . 72 10 10 LYS CE C 42.282 . . 73 10 10 LYS N N 123.149 . . 74 11 11 ARG H H 8.364 . . 75 11 11 ARG HA H 4.397 . . 76 11 11 ARG HB2 H 1.828 . . 77 11 11 ARG HG2 H 1.631 . . 78 11 11 ARG HD2 H 3.257 . . 79 11 11 ARG CA C 55.682 . . 80 11 11 ARG CB C 30.872 . . 81 11 11 ARG CG C 27.308 . . 82 11 11 ARG CD C 43.401 . . 83 11 11 ARG N N 122.888 . . 84 12 12 VAL H H 8.148 . . 85 12 12 VAL HA H 4.324 . . 86 12 12 VAL HB H 2.069 . . 87 12 12 VAL HG1 H 0.950 . . 88 12 12 VAL HG2 H 0.933 . . 89 12 12 VAL CA C 60.359 . . 90 12 12 VAL CB C 32.435 . . 91 12 12 VAL CG1 C 21.004 . . 92 12 12 VAL CG2 C 20.457 . . 93 12 12 VAL N N 122.888 . . 94 13 13 PRO HG2 H 1.854 . . 95 13 13 PRO HG3 H 1.629 . . 96 13 13 PRO HD2 H 3.760 . . 97 13 13 PRO HD3 H 3.508 . . 98 13 13 PRO CG C 27.703 . . 99 13 13 PRO CD C 50.958 . . 100 14 14 ILE H H 8.707 . . 101 14 14 ILE HA H 4.170 . . 102 14 14 ILE HB H 1.922 . . 103 14 14 ILE HG12 H 1.219 . . 104 14 14 ILE HG13 H 1.614 . . 105 14 14 ILE HG2 H 0.922 . . 106 14 14 ILE HD1 H 0.876 . . 107 14 14 ILE CA C 60.654 . . 108 14 14 ILE CB C 39.051 . . 109 14 14 ILE CG1 C 27.293 . . 110 14 14 ILE CG2 C 17.859 . . 111 14 14 ILE CD1 C 12.664 . . 112 14 14 ILE N N 129.734 . . 113 15 15 LEU H H 8.512 . . 114 15 15 LEU HA H 4.100 . . 115 15 15 LEU HG H 1.608 . . 116 15 15 LEU HD1 H 0.879 . . 117 15 15 LEU HD2 H 0.902 . . 118 15 15 LEU CA C 55.039 . . 119 15 15 LEU CB C 41.237 . . 120 15 15 LEU CG C 26.960 . . 121 15 15 LEU CD1 C 27.028 . . 122 15 15 LEU CD2 C 24.998 . . 123 15 15 LEU N N 119.719 . . 124 16 16 ALA H H 8.512 . . 125 16 16 ALA HA H 4.104 . . 126 16 16 ALA HB H 1.335 . . 127 16 16 ALA CA C 55.048 . . 128 16 16 ALA CB C 18.269 . . 129 16 16 ALA N N 119.719 . . 130 17 17 ASN H H 7.026 . . 131 17 17 ASN HA H 3.790 . . 132 17 17 ASN HB2 H 2.596 . . 133 17 17 ASN HB3 H 1.923 . . 134 17 17 ASN HD21 H 7.265 . . 135 17 17 ASN HD22 H 6.641 . . 136 17 17 ASN CA C 54.364 . . 137 17 17 ASN CB C 39.051 . . 138 17 17 ASN N N 115.409 . . 139 17 17 ASN ND2 N 109.830 . . 140 18 18 PHE H H 7.606 . . 141 18 18 PHE HA H 4.078 . . 142 18 18 PHE HB2 H 3.434 . . 143 18 18 PHE HB3 H 3.111 . . 144 18 18 PHE HD1 H 7.178 . . 145 18 18 PHE HE1 H 7.286 . . 146 18 18 PHE CA C 60.942 . . 147 18 18 PHE CB C 39.648 . . 148 18 18 PHE CD1 C 131.337 . . 149 18 18 PHE CE1 C 131.337 . . 150 18 18 PHE N N 119.465 . . 151 19 19 GLU H H 8.431 . . 152 19 19 GLU HA H 3.737 . . 153 19 19 GLU HB2 H 1.975 . . 154 19 19 GLU HG2 H 2.251 . . 155 19 19 GLU HG3 H 2.499 . . 156 19 19 GLU CA C 59.428 . . 157 19 19 GLU CB C 29.419 . . 158 19 19 GLU CG C 36.803 . . 159 19 19 GLU N N 115.282 . . 160 20 20 GLU H H 7.671 . . 161 20 20 GLU HA H 4.013 . . 162 20 20 GLU HB2 H 2.005 . . 163 20 20 GLU HG2 H 2.176 . . 164 20 20 GLU CA C 59.380 . . 165 20 20 GLU CB C 28.387 . . 166 20 20 GLU CG C 35.950 . . 167 20 20 GLU N N 120.987 . . 168 21 21 TRP H H 8.554 . . 169 21 21 TRP HA H 4.257 . . 170 21 21 TRP HB2 H 2.024 . . 171 21 21 TRP HB3 H 1.838 . . 172 21 21 TRP HD1 H 6.616 . . 173 21 21 TRP HE1 H 10.631 . . 174 21 21 TRP HE3 H 6.846 . . 175 21 21 TRP HZ2 H 7.681 . . 176 21 21 TRP HZ3 H 5.472 . . 177 21 21 TRP HH2 H 7.111 . . 178 21 21 TRP CA C 57.919 . . 179 21 21 TRP CB C 29.349 . . 180 21 21 TRP CD1 C 125.537 . . 181 21 21 TRP CE3 C 119.169 . . 182 21 21 TRP CZ2 C 114.658 . . 183 21 21 TRP CZ3 C 121.342 . . 184 21 21 TRP CH2 C 124.400 . . 185 21 21 TRP N N 120.606 . . 186 21 21 TRP NE1 N 130.748 . . 187 22 22 MET H H 8.306 . . 188 22 22 MET HA H 4.111 . . 189 22 22 MET HB2 H 1.938 . . 190 22 22 MET HB3 H 1.761 . . 191 22 22 MET HG2 H 1.747 . . 192 22 22 MET HE H 1.732 . . 193 22 22 MET CA C 57.509 . . 194 22 22 MET CB C 31.285 . . 195 22 22 MET CG C 32.545 . . 196 22 22 MET CE C 16.450 . . 197 22 22 MET N N 117.183 . . 198 23 23 LYS H H 7.774 . . 199 23 23 LYS HA H 4.022 . . 200 23 23 LYS HB2 H 1.818 . . 201 23 23 LYS HB3 H 1.969 . . 202 23 23 LYS HG2 H 1.439 . . 203 23 23 LYS HD2 H 1.639 . . 204 23 23 LYS CA C 59.100 . . 205 23 23 LYS CB C 31.942 . . 206 23 23 LYS CG C 24.928 . . 207 23 23 LYS CD C 29.071 . . 208 23 23 LYS CE C 42.088 . . 209 23 23 LYS N N 122.381 . . 210 24 24 MET H H 7.999 . . 211 24 24 MET HA H 4.042 . . 212 24 24 MET HB2 H 2.561 . . 213 24 24 MET HE H 2.033 . . 214 24 24 MET CA C 58.312 . . 215 24 24 MET CB C 32.352 . . 216 24 24 MET CE C 17.722 . . 217 24 24 MET N N 117.437 . . 218 25 25 ALA H H 8.021 . . 219 25 25 ALA HA H 4.054 . . 220 25 25 ALA HB H 1.403 . . 221 25 25 ALA CA C 54.820 . . 222 25 25 ALA CB C 17.982 . . 223 25 25 ALA N N 119.712 . . 224 26 26 THR H H 8.508 . . 225 26 26 THR HA H 3.907 . . 226 26 26 THR HB H 4.246 . . 227 26 26 THR HG2 H 1.251 . . 228 26 26 THR CA C 66.159 . . 229 26 26 THR CB C 68.954 . . 230 26 26 THR CG2 C 21.688 . . 231 26 26 THR N N 117.183 . . 232 27 27 ASP H H 8.109 . . 233 27 27 ASP HA H 4.648 . . 234 27 27 ASP HB2 H 2.654 . . 235 27 27 ASP HB3 H 2.778 . . 236 27 27 ASP CA C 54.543 . . 237 27 27 ASP CB C 40.465 . . 238 27 27 ASP N N 119.809 . . 239 28 28 ASN H H 7.889 . . 240 28 28 ASN HA H 4.681 . . 241 28 28 ASN HB2 H 3.085 . . 242 28 28 ASN HB3 H 2.888 . . 243 28 28 ASN HD21 H 7.669 . . 244 28 28 ASN HD22 H 6.949 . . 245 28 28 ASN CA C 54.641 . . 246 28 28 ASN CB C 36.642 . . 247 28 28 ASN N N 115.155 . . 248 28 28 ASN ND2 N 114.589 . . 249 29 29 LYS H H 8.339 . . 250 29 29 LYS HA H 4.404 . . 251 29 29 LYS HB2 H 2.061 . . 252 29 29 LYS HG2 H 1.511 . . 253 29 29 LYS HG3 H 1.307 . . 254 29 29 LYS HD2 H 1.669 . . 255 29 29 LYS CA C 55.458 . . 256 29 29 LYS CB C 33.311 . . 257 29 29 LYS CG C 25.224 . . 258 29 29 LYS CD C 29.035 . . 259 29 29 LYS N N 115.155 . . 260 30 30 ILE H H 7.594 . . 261 30 30 ILE HA H 4.349 . . 262 30 30 ILE HB H 1.760 . . 263 30 30 ILE HG12 H 1.198 . . 264 30 30 ILE HG13 H 0.802 . . 265 30 30 ILE HG2 H 0.720 . . 266 30 30 ILE HD1 H 0.484 . . 267 30 30 ILE CA C 60.790 . . 268 30 30 ILE CB C 36.860 . . 269 30 30 ILE CG1 C 27.703 . . 270 30 30 ILE CG2 C 16.984 . . 271 30 30 ILE CD1 C 12.366 . . 272 30 30 ILE N N 120.353 . . 273 31 31 ASN H H 9.628 . . 274 31 31 ASN HA H 4.620 . . 275 31 31 ASN HB2 H 3.097 . . 276 31 31 ASN HB3 H 2.760 . . 277 31 31 ASN HD21 H 7.226 . . 278 31 31 ASN HD22 H 7.493 . . 279 31 31 ASN CA C 52.585 . . 280 31 31 ASN CB C 40.612 . . 281 31 31 ASN N N 127.199 . . 282 31 31 ASN ND2 N 106.788 . . 283 32 32 ALA H H 8.495 . . 284 32 32 ALA HA H 4.812 . . 285 32 32 ALA HB H 1.449 . . 286 32 32 ALA CA C 55.531 . . 287 32 32 ALA CB C 18.810 . . 288 32 32 ALA N N 120.226 . . 289 33 33 ALA H H 7.979 . . 290 33 33 ALA HA H 4.337 . . 291 33 33 ALA HB H 1.456 . . 292 33 33 ALA CA C 54.501 . . 293 33 33 ALA CB C 18.816 . . 294 33 33 ALA N N 116.930 . . 295 34 34 ASN H H 8.070 . . 296 34 34 ASN HA H 4.648 . . 297 34 34 ASN HB2 H 3.098 . . 298 34 34 ASN HB3 H 2.794 . . 299 34 34 ASN HD21 H 7.462 . . 300 34 34 ASN HD22 H 6.516 . . 301 34 34 ASN CA C 52.680 . . 302 34 34 ASN CB C 38.440 . . 303 34 34 ASN N N 114.141 . . 304 34 34 ASN ND2 N 113.236 . . 305 35 35 SER H H 7.846 . . 306 35 35 SER HA H 3.602 . . 307 35 35 SER HB2 H 3.367 . . 308 35 35 SER CA C 62.609 . . 309 35 35 SER CB C 61.884 . . 310 35 35 SER N N 115.080 . . 311 36 36 TRP H H 7.125 . . 312 36 36 TRP HA H 4.337 . . 313 36 36 TRP HB2 H 3.504 . . 314 36 36 TRP HB3 H 2.905 . . 315 36 36 TRP HD1 H 7.429 . . 316 36 36 TRP HE1 H 10.561 . . 317 36 36 TRP HE3 H 7.697 . . 318 36 36 TRP HZ2 H 7.530 . . 319 36 36 TRP HZ3 H 6.998 . . 320 36 36 TRP HH2 H 7.041 . . 321 36 36 TRP CA C 57.116 . . 322 36 36 TRP CB C 29.085 . . 323 36 36 TRP CD1 C 128.740 . . 324 36 36 TRP CE3 C 119.928 . . 325 36 36 TRP CZ2 C 115.206 . . 326 36 36 TRP CZ3 C 120.950 . . 327 36 36 TRP CH2 C 123.910 . . 328 36 36 TRP N N 122.636 . . 329 36 36 TRP NE1 N 130.368 . . 330 37 37 ASN H H 7.854 . . 331 37 37 ASN HA H 4.455 . . 332 37 37 ASN HB2 H 2.597 . . 333 37 37 ASN HB3 H 2.103 . . 334 37 37 ASN HD21 H 7.301 . . 335 37 37 ASN HD22 H 6.998 . . 336 37 37 ASN CA C 53.544 . . 337 37 37 ASN CB C 38.137 . . 338 37 37 ASN N N 115.662 . . 339 37 37 ASN ND2 N 110.955 . . 340 38 38 PHE H H 6.392 . . 341 38 38 PHE HA H 3.646 . . 342 38 38 PHE HB2 H 2.444 . . 343 38 38 PHE HB3 H 1.741 . . 344 38 38 PHE HD1 H 6.641 . . 345 38 38 PHE HE1 H 7.208 . . 346 38 38 PHE CA C 54.501 . . 347 38 38 PHE CB C 40.555 . . 348 38 38 PHE CD1 C 130.930 . . 349 38 38 PHE CE1 C 131.477 . . 350 38 38 PHE N N 116.802 . . 351 39 39 ALA HA H 4.733 . . 352 39 39 ALA HB H 1.456 . . 353 39 39 ALA CA C 51.630 . . 354 39 39 ALA CB C 17.449 . . 355 40 40 LEU H H 5.610 . . 356 40 40 LEU HA H 3.917 . . 357 40 40 LEU HB2 H 1.067 . . 358 40 40 LEU HB3 H 1.667 . . 359 40 40 LEU HD1 H 0.793 . . 360 40 40 LEU HD2 H 1.194 . . 361 40 40 LEU CA C 57.919 . . 362 40 40 LEU CB C 43.563 . . 363 40 40 LEU CD1 C 24.832 . . 364 40 40 LEU CD2 C 24.012 . . 365 40 40 LEU N N 118.470 . . 366 41 41 ILE H H 9.385 . . 367 41 41 ILE HA H 4.151 . . 368 41 41 ILE HB H 2.041 . . 369 41 41 ILE HG2 H 1.027 . . 370 41 41 ILE HD1 H 0.957 . . 371 41 41 ILE CA C 65.976 . . 372 41 41 ILE CB C 36.795 . . 373 41 41 ILE CG2 C 18.761 . . 374 41 41 ILE CD1 C 13.416 . . 375 41 41 ILE N N 118.763 . . 376 42 42 ASP H H 6.984 . . 377 42 42 ASP HA H 4.565 . . 378 42 42 ASP HB2 H 3.089 . . 379 42 42 ASP HB3 H 2.965 . . 380 42 42 ASP CA C 57.806 . . 381 42 42 ASP CB C 39.870 . . 382 42 42 ASP N N 119.846 . . 383 43 43 TYR H H 8.259 . . 384 43 43 TYR HA H 4.463 . . 385 43 43 TYR HD1 H 7.255 . . 386 43 43 TYR HE1 H 7.148 . . 387 43 43 TYR CA C 59.193 . . 388 43 43 TYR CB C 41.300 . . 389 43 43 TYR CD1 C 131.611 . . 390 43 43 TYR CE1 C 119.306 . . 391 43 43 TYR N N 122.001 . . 392 44 44 PHE H H 8.030 . . 393 44 44 PHE HA H 4.214 . . 394 44 44 PHE HB3 H 3.139 . . 395 44 44 PHE HD1 H 7.253 . . 396 44 44 PHE HE1 H 7.340 . . 397 44 44 PHE HZ H 7.066 . . 398 44 44 PHE CA C 62.568 . . 399 44 44 PHE CB C 41.400 . . 400 44 44 PHE CD1 C 132.568 . . 401 44 44 PHE CE1 C 130.654 . . 402 44 44 PHE N N 118.197 . . 403 45 45 HIS H H 8.906 . . 404 45 45 HIS HA H 3.800 . . 405 45 45 HIS HB2 H 2.224 . . 406 45 45 HIS HB3 H 1.828 . . 407 45 45 HIS HD2 H 7.257 . . 408 45 45 HIS HE1 H 7.853 . . 409 45 45 HIS CA C 59.833 . . 410 45 45 HIS CB C 31.532 . . 411 45 45 HIS CD2 C 119.306 . . 412 45 45 HIS CE1 C 137.523 . . 413 45 45 HIS N N 122.381 . . 414 46 46 ASP H H 7.992 . . 415 46 46 ASP CA C 57.027 . . 416 46 46 ASP N N 118.705 . . 417 47 47 MET H H 8.263 . . 418 47 47 MET HB2 H 1.751 . . 419 47 47 MET HB3 H 1.605 . . 420 47 47 MET HG2 H 2.540 . . 421 47 47 MET HG3 H 2.422 . . 422 47 47 MET HE H 1.679 . . 423 47 47 MET CB C 33.993 . . 424 47 47 MET CG C 33.446 . . 425 47 47 MET CE C 16.765 . . 426 49 49 LEU H H 8.602 . . 427 49 49 LEU HA H 4.084 . . 428 49 49 LEU HB2 H 1.002 . . 429 49 49 LEU HB3 H 0.920 . . 430 49 49 LEU HG H 1.417 . . 431 49 49 LEU HD1 H 0.334 . . 432 49 49 LEU HD2 H 0.593 . . 433 49 49 LEU CA C 56.005 . . 434 49 49 LEU CB C 40.692 . . 435 49 49 LEU CG C 26.610 . . 436 49 49 LEU CD1 C 26.340 . . 437 49 49 LEU CD2 C 22.470 . . 438 50 50 LEU H H 7.680 . . 439 50 50 LEU HA H 4.240 . . 440 50 50 LEU HB2 H 1.714 . . 441 50 50 LEU HB3 H 1.413 . . 442 50 50 LEU HG H 1.498 . . 443 50 50 LEU HD1 H 0.884 . . 444 50 50 LEU HD2 H 0.884 . . 445 50 50 LEU CA C 54.091 . . 446 50 50 LEU CB C 42.607 . . 447 50 50 LEU CG C 27.341 . . 448 50 50 LEU CD1 C 23.196 . . 449 50 50 LEU CD2 C 25.476 . . 450 50 50 LEU N N 115.662 . . 451 51 51 LYS H H 6.939 . . 452 51 51 LYS HA H 4.262 . . 453 51 51 LYS HB2 H 1.728 . . 454 51 51 LYS HB3 H 1.607 . . 455 51 51 LYS HG2 H 1.452 . . 456 51 51 LYS HD2 H 1.461 . . 457 51 51 LYS CA C 56.589 . . 458 51 51 LYS CB C 33.903 . . 459 51 51 LYS CG C 25.044 . . 460 51 51 LYS CD C 29.042 . . 461 51 51 LYS CE C 41.502 . . 462 51 51 LYS N N 118.071 . . 463 52 52 GLU H H 7.997 . . 464 52 52 GLU HA H 4.346 . . 465 52 52 GLU HB2 H 1.728 . . 466 52 52 GLU HG2 H 2.079 . . 467 52 52 GLU CA C 55.458 . . 468 52 52 GLU CB C 31.323 . . 469 52 52 GLU CG C 36.150 . . 470 52 52 GLU N N 123.015 . . 471 53 53 GLY H H 9.026 . . 472 53 53 GLY HA2 H 3.964 . . 473 53 53 GLY HA3 H 3.650 . . 474 53 53 GLY CA C 47.060 . . 475 53 53 GLY N N 117.817 . . 476 54 54 ASP H H 8.766 . . 477 54 54 ASP HB2 H 2.816 . . 478 54 54 ASP HB3 H 2.699 . . 479 54 54 ASP CA C 54.190 . . 480 54 54 ASP CB C 41.109 . . 481 54 54 ASP N N 126.500 . . 482 55 55 SER H H 7.954 . . 483 55 55 SER HA H 4.720 . . 484 55 55 SER HB2 H 3.870 . . 485 55 55 SER CA C 55.732 . . 486 55 55 SER CB C 64.268 . . 487 55 55 SER N N 115.282 . . 488 56 56 VAL H H 8.395 . . 489 56 56 VAL HA H 4.105 . . 490 56 56 VAL HB H 0.967 . . 491 56 56 VAL HG1 H -0.366 . . 492 56 56 VAL HG2 H -0.332 . . 493 56 56 VAL CA C 59.849 . . 494 56 56 VAL CB C 34.829 . . 495 56 56 VAL CG1 C 20.028 . . 496 56 56 VAL CG2 C 19.716 . . 497 56 56 VAL N N 119.719 . . 498 57 57 ASN H H 8.108 . . 499 57 57 ASN HA H 4.267 . . 500 57 57 ASN HB2 H 2.899 . . 501 57 57 ASN HB3 H 2.551 . . 502 57 57 ASN HD21 H 7.215 . . 503 57 57 ASN HD22 H 8.145 . . 504 57 57 ASN CA C 51.662 . . 505 57 57 ASN CB C 37.847 . . 506 57 57 ASN N N 121.114 . . 507 57 57 ASN ND2 N 114.580 . . 508 58 58 PHE H H 8.785 . . 509 58 58 PHE HA H 3.897 . . 510 58 58 PHE HB2 H 3.082 . . 511 58 58 PHE HB3 H 2.838 . . 512 58 58 PHE HD1 H 7.015 . . 513 58 58 PHE HE1 H 6.932 . . 514 58 58 PHE HZ H 6.991 . . 515 58 58 PHE CA C 63.956 . . 516 58 58 PHE CB C 38.628 . . 517 58 58 PHE CD1 C 131.611 . . 518 58 58 PHE CE1 C 131.319 . . 519 58 58 PHE CZ C 129.150 . . 520 58 58 PHE N N 125.170 . . 521 59 59 GLN H H 8.890 . . 522 59 59 GLN HA H 4.482 . . 523 59 59 GLN HB2 H 2.337 . . 524 59 59 GLN HG2 H 2.548 . . 525 59 59 GLN HE21 H 7.491 . . 526 59 59 GLN HE22 H 6.917 . . 527 59 59 GLN CA C 60.499 . . 528 59 59 GLN CB C 27.497 . . 529 59 59 GLN CG C 34.264 . . 530 59 59 GLN N N 124.531 . . 531 59 59 GLN NE2 N 111.165 . . 532 60 60 LYS H H 8.145 . . 533 60 60 LYS HA H 4.132 . . 534 60 60 LYS HB2 H 1.799 . . 535 60 60 LYS HB3 H 1.677 . . 536 60 60 LYS HG2 H 1.556 . . 537 60 60 LYS HG3 H 1.399 . . 538 60 60 LYS HD2 H 2.339 . . 539 60 60 LYS CA C 59.120 . . 540 60 60 LYS CB C 32.899 . . 541 60 60 LYS CG C 25.221 . . 542 60 60 LYS CD C 27.326 . . 543 60 60 LYS CE C 41.668 . . 544 60 60 LYS N N 122.070 . . 545 61 61 ALA H H 9.148 . . 546 61 61 ALA HA H 4.134 . . 547 61 61 ALA HB H 1.424 . . 548 61 61 ALA CA C 56.005 . . 549 61 61 ALA CB C 18.844 . . 550 61 61 ALA N N 122.775 . . 551 62 62 SER H H 8.327 . . 552 62 62 SER HA H 4.423 . . 553 62 62 SER CA C 63.299 . . 554 62 62 SER CB C 63.022 . . 555 62 62 SER N N 115.409 . . 556 63 63 CYS H H 7.828 . . 557 63 63 CYS HA H 4.268 . . 558 63 63 CYS HB2 H 3.047 . . 559 63 63 CYS HB3 H 2.966 . . 560 63 63 CYS CA C 62.745 . . 561 63 63 CYS CB C 26.886 . . 562 63 63 CYS N N 119.900 . . 563 64 64 THR H H 8.564 . . 564 64 64 THR HA H 3.946 . . 565 64 64 THR HB H 4.264 . . 566 64 64 THR HG2 H 1.238 . . 567 64 64 THR CA C 67.353 . . 568 64 64 THR CB C 67.900 . . 569 64 64 THR CG2 C 23.460 . . 570 64 64 THR N N 119.203 . . 571 65 65 LEU H H 8.449 . . 572 65 65 LEU HA H 3.224 . . 573 65 65 LEU HB2 H 1.618 . . 574 65 65 LEU HD1 H 0.834 . . 575 65 65 LEU HD2 H 0.860 . . 576 65 65 LEU CA C 58.557 . . 577 65 65 LEU CB C 40.600 . . 578 65 65 LEU CD1 C 26.064 . . 579 65 65 LEU CD2 C 22.731 . . 580 65 65 LEU N N 125.297 . . 581 66 66 ASP H H 7.760 . . 582 66 66 ASP HA H 4.210 . . 583 66 66 ASP HB2 H 2.844 . . 584 66 66 ASP HB3 H 2.653 . . 585 66 66 ASP CA C 57.586 . . 586 66 66 ASP CB C 40.671 . . 587 66 66 ASP N N 117.817 . . 588 67 67 GLY H H 7.760 . . 589 67 67 GLY HA2 H 3.668 . . 590 67 67 GLY HA3 H 3.450 . . 591 67 67 GLY CA C 47.802 . . 592 67 67 GLY N N 106.915 . . 593 68 68 CYS H H 8.535 . . 594 68 68 CYS HA H 3.823 . . 595 68 68 CYS HB2 H 2.368 . . 596 68 68 CYS CA C 65.106 . . 597 68 68 CYS CB C 26.060 . . 598 68 68 CYS N N 119.846 . . 599 69 69 VAL H H 8.490 . . 600 69 69 VAL HA H 3.563 . . 601 69 69 VAL HB H 2.221 . . 602 69 69 VAL HG1 H 1.052 . . 603 69 69 VAL HG2 H 1.063 . . 604 69 69 VAL CA C 67.247 . . 605 69 69 VAL CB C 31.532 . . 606 69 69 VAL CG1 C 22.530 . . 607 69 69 VAL CG2 C 23.882 . . 608 69 69 VAL N N 120.606 . . 609 70 70 LYS H H 7.426 . . 610 70 70 LYS HA H 4.042 . . 611 70 70 LYS HB2 H 1.972 . . 612 70 70 LYS HG2 H 1.547 . . 613 70 70 LYS CA C 60.057 . . 614 70 70 LYS CB C 32.025 . . 615 70 70 LYS CG C 26.059 . . 616 70 70 LYS N N 120.480 . . 617 71 71 ILE H H 7.802 . . 618 71 71 ILE HA H 3.367 . . 619 71 71 ILE HB H 1.886 . . 620 71 71 ILE HG2 H 0.875 . . 621 71 71 ILE HD1 H 0.778 . . 622 71 71 ILE CA C 65.849 . . 623 71 71 ILE CB C 37.768 . . 624 71 71 ILE CG2 C 17.312 . . 625 71 71 ILE CD1 C 16.082 . . 626 71 71 ILE N N 120.353 . . 627 72 72 TYR H H 8.774 . . 628 72 72 TYR HA H 3.799 . . 629 72 72 TYR HB2 H 2.969 . . 630 72 72 TYR HD1 H 6.779 . . 631 72 72 TYR HE1 H 6.772 . . 632 72 72 TYR CA C 62.705 . . 633 72 72 TYR CB C 39.598 . . 634 72 72 TYR CD1 C 131.884 . . 635 72 72 TYR CE1 C 118.041 . . 636 72 72 TYR N N 120.353 . . 637 73 73 THR H H 8.946 . . 638 73 73 THR HA H 3.423 . . 639 73 73 THR HB H 4.245 . . 640 73 73 THR HG2 H 1.320 . . 641 73 73 THR CA C 66.670 . . 642 73 73 THR CB C 67.982 . . 643 73 73 THR CG2 C 22.020 . . 644 73 73 THR N N 109.577 . . 645 74 74 SER H H 7.425 . . 646 74 74 SER HA H 4.150 . . 647 74 74 SER HB2 H 3.789 . . 648 74 74 SER CA C 63.252 . . 649 74 74 SER CB C 63.252 . . 650 74 74 SER N N 118.480 . . 651 75 75 ARG H H 8.160 . . 652 75 75 ARG HA H 4.350 . . 653 75 75 ARG HB2 H 1.130 . . 654 75 75 ARG CA C 59.970 . . 655 75 75 ARG CB C 29.715 . . 656 75 75 ARG N N 123.903 . . 657 76 76 VAL H H 7.970 . . 658 76 76 VAL HA H 3.325 . . 659 76 76 VAL HB H 1.834 . . 660 76 76 VAL HG1 H 0.485 . . 661 76 76 VAL HG2 H 0.873 . . 662 76 76 VAL CA C 67.860 . . 663 76 76 VAL CB C 30.848 . . 664 76 76 VAL CG1 C 22.852 . . 665 76 76 VAL CG2 C 21.550 . . 666 76 76 VAL N N 119.852 . . 667 77 77 ASP H H 8.071 . . 668 77 77 ASP HA H 4.353 . . 669 77 77 ASP HB2 H 2.943 . . 670 77 77 ASP HB3 H 2.693 . . 671 77 77 ASP CA C 57.646 . . 672 77 77 ASP CB C 39.462 . . 673 77 77 ASP N N 119.870 . . 674 78 78 SER H H 8.364 . . 675 78 78 SER HA H 4.365 . . 676 78 78 SER HB2 H 3.799 . . 677 78 78 SER CA C 61.457 . . 678 78 78 SER CB C 62.748 . . 679 78 78 SER N N 116.803 . . 680 79 79 VAL H H 8.714 . . 681 79 79 VAL HA H 3.790 . . 682 79 79 VAL HB H 2.451 . . 683 79 79 VAL HG1 H 1.127 . . 684 79 79 VAL HG2 H 1.350 . . 685 79 79 VAL CA C 66.957 . . 686 79 79 VAL CB C 31.501 . . 687 79 79 VAL CG1 C 22.920 . . 688 79 79 VAL CG2 C 24.118 . . 689 79 79 VAL N N 120.425 . . 690 80 80 ALA H H 8.848 . . 691 80 80 ALA HA H 4.037 . . 692 80 80 ALA HB H 1.629 . . 693 80 80 ALA CA C 56.180 . . 694 80 80 ALA CB C 18.065 . . 695 80 80 ALA N N 125.931 . . 696 81 81 THR H H 8.658 . . 697 81 81 THR HA H 4.006 . . 698 81 81 THR HB H 4.487 . . 699 81 81 THR HG2 H 1.277 . . 700 81 81 THR CA C 66.877 . . 701 81 81 THR CB C 68.746 . . 702 81 81 THR CG2 C 21.718 . . 703 81 81 THR N N 118.958 . . 704 82 82 GLU H H 8.925 . . 705 82 82 GLU HA H 4.158 . . 706 82 82 GLU HB2 H 2.067 . . 707 82 82 GLU HG2 H 2.227 . . 708 82 82 GLU CA C 58.856 . . 709 82 82 GLU CB C 29.341 . . 710 82 82 GLU CG C 35.390 . . 711 82 82 GLU N N 122.610 . . 712 83 83 THR H H 8.557 . . 713 83 83 THR HA H 4.352 . . 714 83 83 THR HB H 4.338 . . 715 83 83 THR HG2 H 1.182 . . 716 83 83 THR CA C 68.029 . . 717 83 83 THR CB C 67.962 . . 718 83 83 THR CG2 C 21.794 . . 719 83 83 THR N N 119.270 . . 720 84 84 GLY H H 7.803 . . 721 84 84 GLY HA2 H 4.004 . . 722 84 84 GLY HA3 H 3.861 . . 723 84 84 GLY CA C 47.409 . . 724 84 84 GLY N N 107.802 . . 725 85 85 LYS H H 7.895 . . 726 85 85 LYS HA H 4.150 . . 727 85 85 LYS HB2 H 1.905 . . 728 85 85 LYS HG2 H 1.672 . . 729 85 85 LYS HG3 H 1.493 . . 730 85 85 LYS HD2 H 1.657 . . 731 85 85 LYS HE2 H 2.934 . . 732 85 85 LYS CA C 59.252 . . 733 85 85 LYS CB C 32.503 . . 734 85 85 LYS CG C 25.673 . . 735 85 85 LYS CD C 29.570 . . 736 85 85 LYS CE C 41.951 . . 737 85 85 LYS N N 121.747 . . 738 86 86 LEU H H 7.957 . . 739 86 86 LEU HA H 4.171 . . 740 86 86 LEU HB2 H 1.919 . . 741 86 86 LEU HB3 H 1.615 . . 742 86 86 LEU HG H 1.722 . . 743 86 86 LEU HD1 H 0.929 . . 744 86 86 LEU HD2 H 0.980 . . 745 86 86 LEU CA C 58.264 . . 746 86 86 LEU CB C 41.510 . . 747 86 86 LEU CG C 27.082 . . 748 86 86 LEU CD1 C 25.458 . . 749 86 86 LEU CD2 C 24.186 . . 750 86 86 LEU N N 123.142 . . 751 87 87 LEU H H 8.255 . . 752 87 87 LEU HA H 4.186 . . 753 87 87 LEU HB2 H 1.696 . . 754 87 87 LEU HG H 1.663 . . 755 87 87 LEU HD1 H 0.930 . . 756 87 87 LEU CA C 58.310 . . 757 87 87 LEU CB C 41.750 . . 758 87 87 LEU CG C 27.109 . . 759 87 87 LEU CD1 C 25.028 . . 760 87 87 LEU N N 118.630 . . 761 88 88 SER H H 8.207 . . 762 88 88 SER HA H 4.233 . . 763 88 88 SER HB2 H 3.980 . . 764 88 88 SER CA C 61.748 . . 765 88 88 SER CB C 62.841 . . 766 88 88 SER N N 114.394 . . 767 89 89 GLY H H 7.944 . . 768 89 89 GLY HA2 H 4.078 . . 769 89 89 GLY HA3 H 3.822 . . 770 89 89 GLY CA C 46.434 . . 771 89 89 GLY N N 109.070 . . 772 90 90 LEU H H 7.796 . . 773 90 90 LEU HA H 4.278 . . 774 90 90 LEU HB2 H 1.886 . . 775 90 90 LEU HB3 H 1.585 . . 776 90 90 LEU HG H 1.871 . . 777 90 90 LEU HD1 H 0.940 . . 778 90 90 LEU HD2 H 0.846 . . 779 90 90 LEU CA C 55.731 . . 780 90 90 LEU CB C 42.503 . . 781 90 90 LEU CG C 26.610 . . 782 90 90 LEU CD1 C 24.970 . . 783 90 90 LEU CD2 C 23.738 . . 784 90 90 LEU N N 120.353 . . 785 91 91 ALA H H 7.664 . . 786 91 91 ALA HA H 4.228 . . 787 91 91 ALA HB H 1.485 . . 788 91 91 ALA CA C 53.574 . . 789 91 91 ALA CB C 18.971 . . 790 91 91 ALA N N 123.015 . . 791 92 92 ASP H H 8.196 . . 792 92 92 ASP HA H 4.548 . . 793 92 92 ASP HB2 H 2.718 . . 794 92 92 ASP CA C 54.889 . . 795 92 92 ASP CB C 41.320 . . 796 92 92 ASP N N 119.685 . . 797 93 93 SER H H 8.225 . . 798 93 93 SER HA H 4.393 . . 799 93 93 SER HB2 H 3.969 . . 800 93 93 SER HB3 H 3.903 . . 801 93 93 SER CA C 59.181 . . 802 93 93 SER CB C 63.753 . . 803 93 93 SER N N 116.676 . . 804 94 94 ARG H H 8.219 . . 805 94 94 ARG HA H 4.288 . . 806 94 94 ARG HB2 H 1.894 . . 807 94 94 ARG HB3 H 1.756 . . 808 94 94 ARG HG2 H 1.690 . . 809 94 94 ARG HD2 H 3.155 . . 810 94 94 ARG CA C 56.885 . . 811 94 94 ARG CB C 30.530 . . 812 94 94 ARG CG C 27.189 . . 813 94 94 ARG CD C 43.302 . . 814 94 94 ARG N N 122.300 . . 815 95 95 ASP H H 8.287 . . 816 95 95 ASP HA H 4.565 . . 817 95 95 ASP HB2 H 2.699 . . 818 95 95 ASP HB3 H 2.665 . . 819 95 95 ASP CA C 54.703 . . 820 95 95 ASP CB C 41.305 . . 821 95 95 ASP N N 120.730 . . 822 96 96 SER H H 8.267 . . 823 96 96 SER HA H 4.352 . . 824 96 96 SER HB2 H 3.905 . . 825 96 96 SER CA C 59.204 . . 826 96 96 SER CB C 63.682 . . 827 96 96 SER N N 116.930 . . 828 97 97 LYS H H 8.264 . . 829 97 97 LYS HA H 4.274 . . 830 97 97 LYS HB2 H 1.839 . . 831 97 97 LYS HG2 H 1.457 . . 832 97 97 LYS HD2 H 2.162 . . 833 97 97 LYS CA C 56.566 . . 834 97 97 LYS CB C 32.598 . . 835 97 97 LYS CG C 24.888 . . 836 97 97 LYS CD C 28.981 . . 837 97 97 LYS N N 122.410 . . 838 98 98 LYS H H 8.085 . . 839 98 98 LYS HA H 4.272 . . 840 98 98 LYS HB2 H 1.841 . . 841 98 98 LYS HG2 H 1.452 . . 842 98 98 LYS CA C 56.598 . . 843 98 98 LYS CB C 32.693 . . 844 98 98 LYS CG C 24.908 . . 845 98 98 LYS CD C 29.226 . . 846 98 98 LYS N N 121.847 . . 847 99 99 LYS H H 8.301 . . 848 99 99 LYS HA H 4.262 . . 849 99 99 LYS HB2 H 1.770 . . 850 99 99 LYS HG2 H 1.442 . . 851 99 99 LYS HD2 H 1.841 . . 852 99 99 LYS CA C 56.631 . . 853 99 99 LYS CB C 33.037 . . 854 99 99 LYS CG C 24.824 . . 855 99 99 LYS CD C 29.081 . . 856 99 99 LYS N N 122.254 . . 857 100 100 ASP H H 8.309 . . 858 100 100 ASP HA H 4.548 . . 859 100 100 ASP HB2 H 2.648 . . 860 100 100 ASP CA C 54.749 . . 861 100 100 ASP CB C 41.329 . . 862 100 100 ASP N N 121.242 . . 863 101 101 ARG H H 8.200 . . 864 101 101 ARG HA H 4.272 . . 865 101 101 ARG HB2 H 1.795 . . 866 101 101 ARG HB3 H 1.795 . . 867 101 101 ARG HG2 H 1.630 . . 868 101 101 ARG HG3 H 1.872 . . 869 101 101 ARG HD2 H 3.197 . . 870 101 101 ARG CA C 56.453 . . 871 101 101 ARG CB C 30.921 . . 872 101 101 ARG CG C 27.058 . . 873 101 101 ARG CD C 43.384 . . 874 101 101 ARG N N 120.103 . . 875 102 102 GLU H H 8.500 . . 876 102 102 GLU HA H 4.272 . . 877 102 102 GLU HB2 H 2.085 . . 878 102 102 GLU HB3 H 1.951 . . 879 102 102 GLU HG2 H 2.269 . . 880 102 102 GLU CA C 56.728 . . 881 102 102 GLU CB C 30.197 . . 882 102 102 GLU CG C 36.289 . . 883 102 102 GLU N N 121.747 . . 884 103 103 ASP H H 8.362 . . 885 103 103 ASP HA H 4.604 . . 886 103 103 ASP HB2 H 2.712 . . 887 103 103 ASP CA C 54.373 . . 888 103 103 ASP CB C 41.403 . . 889 103 103 ASP N N 121.240 . . 890 104 104 GLY H H 8.427 . . 891 104 104 GLY HA2 H 3.992 . . 892 104 104 GLY CA C 45.730 . . 893 104 104 GLY N N 109.704 . . 894 105 105 GLY H H 8.405 . . 895 105 105 GLY HA2 H 4.022 . . 896 105 105 GLY CA C 45.318 . . 897 105 105 GLY N N 108.816 . . 898 106 106 GLY H H 8.339 . . 899 106 106 GLY HA2 H 4.029 . . 900 106 106 GLY CA C 45.403 . . 901 106 106 GLY N N 108.923 . . 902 107 107 SER H H 8.433 . . 903 107 107 SER CA C 58.640 . . 904 107 107 SER N N 115.662 . . 905 108 108 GLY H H 8.590 . . 906 108 108 GLY HA2 H 3.987 . . 907 108 108 GLY CA C 45.750 . . 908 108 108 GLY N N 111.098 . . 909 109 109 GLY H H 8.301 . . 910 109 109 GLY HA2 H 3.990 . . 911 109 109 GLY CA C 45.569 . . 912 109 109 GLY N N 108.943 . . 913 110 110 SER H H 8.251 . . 914 110 110 SER HA H 4.411 . . 915 110 110 SER HB2 H 3.906 . . 916 110 110 SER CA C 58.706 . . 917 110 110 SER CB C 63.832 . . 918 110 110 SER N N 115.662 . . 919 111 111 LEU H H 8.252 . . 920 111 111 LEU HA H 4.328 . . 921 111 111 LEU HB2 H 1.670 . . 922 111 111 LEU HB3 H 1.590 . . 923 111 111 LEU HG H 1.670 . . 924 111 111 LEU HD1 H 0.932 . . 925 111 111 LEU HD2 H 0.876 . . 926 111 111 LEU CA C 55.615 . . 927 111 111 LEU CB C 42.190 . . 928 111 111 LEU CG C 27.000 . . 929 111 111 LEU CD1 C 24.850 . . 930 111 111 LEU CD2 C 23.610 . . 931 111 111 LEU N N 123.649 . . 932 112 112 ARG H H 8.191 . . 933 112 112 ARG HA H 4.272 . . 934 112 112 ARG HB2 H 1.749 . . 935 112 112 ARG HG2 H 1.622 . . 936 112 112 ARG HD2 H 3.179 . . 937 112 112 ARG CA C 56.346 . . 938 112 112 ARG CB C 30.600 . . 939 112 112 ARG CG C 27.180 . . 940 112 112 ARG CD C 43.427 . . 941 112 112 ARG N N 120.830 . . 942 113 113 LYS H H 8.186 . . 943 113 113 LYS HA H 4.272 . . 944 113 113 LYS HB2 H 1.733 . . 945 113 113 LYS HG2 H 1.418 . . 946 113 113 LYS HD2 H 1.670 . . 947 113 113 LYS HE2 H 2.969 . . 948 113 113 LYS CA C 56.251 . . 949 113 113 LYS CB C 33.225 . . 950 113 113 LYS CG C 24.933 . . 951 113 113 LYS CD C 29.162 . . 952 113 113 LYS CE C 42.155 . . 953 113 113 LYS N N 122.166 . . 954 114 114 LYS H H 8.215 . . 955 114 114 LYS HA H 4.326 . . 956 114 114 LYS HB2 H 1.800 . . 957 114 114 LYS HB3 H 1.713 . . 958 114 114 LYS HG2 H 1.413 . . 959 114 114 LYS HD2 H 1.670 . . 960 114 114 LYS HE2 H 2.977 . . 961 114 114 LYS CA C 56.181 . . 962 114 114 LYS CB C 33.399 . . 963 114 114 LYS CG C 24.866 . . 964 114 114 LYS CD C 29.253 . . 965 114 114 LYS CE C 42.155 . . 966 114 114 LYS N N 122.155 . . 967 115 115 ILE H H 7.941 . . 968 115 115 ILE HA H 3.998 . . 969 115 115 ILE HB H 1.659 . . 970 115 115 ILE HG12 H 1.332 . . 971 115 115 ILE HG13 H 1.090 . . 972 115 115 ILE HG2 H 0.772 . . 973 115 115 ILE HD1 H 0.739 . . 974 115 115 ILE CA C 60.654 . . 975 115 115 ILE CB C 38.747 . . 976 115 115 ILE CG1 C 27.484 . . 977 115 115 ILE CG2 C 17.588 . . 978 115 115 ILE CD1 C 12.950 . . 979 115 115 ILE N N 122.001 . . 980 116 116 ASN H H 8.225 . . 981 116 116 ASN HA H 4.922 . . 982 116 116 ASN HB2 H 2.865 . . 983 116 116 ASN HD21 H 7.810 . . 984 116 116 ASN HD22 H 7.036 . . 985 116 116 ASN CA C 51.003 . . 986 116 116 ASN CB C 38.915 . . 987 116 116 ASN N N 124.410 . . 988 116 116 ASN ND2 N 113.452 . . 989 117 117 PRO HA H 4.168 . . 990 117 117 PRO HB2 H 2.367 . . 991 117 117 PRO HB3 H 1.858 . . 992 117 117 PRO HG2 H 2.074 . . 993 117 117 PRO HD2 H 3.841 . . 994 117 117 PRO CA C 64.803 . . 995 117 117 PRO CB C 32.306 . . 996 117 117 PRO CG C 27.548 . . 997 117 117 PRO CD C 51.023 . . 998 118 118 LYS H H 8.094 . . 999 118 118 LYS HA H 4.147 . . 1000 118 118 LYS HB2 H 1.847 . . 1001 118 118 LYS HG2 H 0.919 . . 1002 118 118 LYS HD2 H 1.699 . . 1003 118 118 LYS HE2 H 2.869 . . 1004 118 118 LYS CA C 58.466 . . 1005 118 118 LYS CB C 32.352 . . 1006 118 118 LYS CG C 25.374 . . 1007 118 118 LYS CD C 29.540 . . 1008 118 118 LYS CE C 41.883 . . 1009 118 118 LYS N N 118.325 . . 1010 119 119 VAL H H 7.708 . . 1011 119 119 VAL HA H 3.850 . . 1012 119 119 VAL HB H 2.076 . . 1013 119 119 VAL HG1 H 0.913 . . 1014 119 119 VAL HG2 H 1.033 . . 1015 119 119 VAL CA C 65.029 . . 1016 119 119 VAL CB C 32.078 . . 1017 119 119 VAL CG1 C 21.004 . . 1018 119 119 VAL CG2 C 22.190 . . 1019 119 119 VAL N N 120.226 . . 1020 120 120 MET H H 7.810 . . 1021 120 120 MET HA H 4.238 . . 1022 120 120 MET HB2 H 2.042 . . 1023 120 120 MET HB3 H 1.940 . . 1024 120 120 MET HG2 H 2.474 . . 1025 120 120 MET HG3 H 2.311 . . 1026 120 120 MET HE H 2.064 . . 1027 120 120 MET CA C 57.238 . . 1028 120 120 MET CB C 31.395 . . 1029 120 120 MET CG C 32.481 . . 1030 120 120 MET CE C 17.360 . . 1031 120 120 MET N N 118.958 . . 1032 121 121 ASN H H 8.101 . . 1033 121 121 ASN HA H 4.567 . . 1034 121 121 ASN HB2 H 2.852 . . 1035 121 121 ASN HD21 H 7.666 . . 1036 121 121 ASN HD22 H 6.948 . . 1037 121 121 ASN CA C 55.432 . . 1038 121 121 ASN CB C 38.538 . . 1039 121 121 ASN N N 117.437 . . 1040 121 121 ASN ND2 N 112.239 . . 1041 122 122 MET H H 7.874 . . 1042 122 122 MET HA H 4.461 . . 1043 122 122 MET HE H 2.078 . . 1044 122 122 MET CA C 58.079 . . 1045 122 122 MET CE C 17.312 . . 1046 122 122 MET N N 120.987 . . 1047 123 123 ILE H H 8.270 . . 1048 123 123 ILE HA H 3.718 . . 1049 123 123 ILE HB H 1.929 . . 1050 123 123 ILE HG2 H 0.913 . . 1051 123 123 ILE HD1 H 0.883 . . 1052 123 123 ILE CA C 65.206 . . 1053 123 123 ILE CB C 38.094 . . 1054 123 123 ILE CG1 C 29.396 . . 1055 123 123 ILE CG2 C 17.449 . . 1056 123 123 ILE CD1 C 13.894 . . 1057 123 123 ILE N N 120.733 . . 1058 124 124 ASP H H 8.113 . . 1059 124 124 ASP HA H 4.432 . . 1060 124 124 ASP HB2 H 2.755 . . 1061 124 124 ASP HB3 H 2.681 . . 1062 124 124 ASP CA C 57.555 . . 1063 124 124 ASP CB C 41.146 . . 1064 124 124 ASP N N 119.846 . . 1065 125 125 SER H H 7.947 . . 1066 125 125 SER HA H 4.232 . . 1067 125 125 SER HB2 H 4.043 . . 1068 125 125 SER CA C 61.611 . . 1069 125 125 SER CB C 63.136 . . 1070 125 125 SER N N 113.634 . . 1071 126 126 VAL H H 8.207 . . 1072 126 126 VAL HA H 3.837 . . 1073 126 126 VAL HB H 2.162 . . 1074 126 126 VAL HG1 H 0.930 . . 1075 126 126 VAL HG2 H 1.056 . . 1076 126 126 VAL CA C 66.123 . . 1077 126 126 VAL CB C 31.532 . . 1078 126 126 VAL CG1 C 22.320 . . 1079 126 126 VAL CG2 C 22.007 . . 1080 126 126 VAL N N 120.860 . . 1081 127 127 GLU H H 8.633 . . 1082 127 127 GLU HA H 4.107 . . 1083 127 127 GLU HB2 H 2.069 . . 1084 127 127 GLU HB3 H 2.277 . . 1085 127 127 GLU HG2 H 2.580 . . 1086 127 127 GLU HG3 H 2.096 . . 1087 127 127 GLU CA C 60.517 . . 1088 127 127 GLU CB C 30.028 . . 1089 127 127 GLU CG C 37.992 . . 1090 127 127 GLU N N 120.990 . . 1091 128 128 LYS H H 7.986 . . 1092 128 128 LYS HA H 4.097 . . 1093 128 128 LYS HB2 H 1.937 . . 1094 128 128 LYS HG2 H 1.629 . . 1095 128 128 LYS HG3 H 1.463 . . 1096 128 128 LYS HD2 H 1.663 . . 1097 128 128 LYS CA C 59.708 . . 1098 128 128 LYS CB C 32.318 . . 1099 128 128 LYS CG C 25.779 . . 1100 128 128 LYS CD C 29.207 . . 1101 128 128 LYS N N 119.465 . . 1102 129 129 LYS H H 7.906 . . 1103 129 129 LYS HA H 4.182 . . 1104 129 129 LYS HB2 H 1.935 . . 1105 129 129 LYS CA C 58.651 . . 1106 129 129 LYS CB C 32.215 . . 1107 129 129 LYS N N 120.733 . . 1108 130 130 GLU H H 8.765 . . 1109 130 130 GLU HA H 4.111 . . 1110 130 130 GLU HB2 H 1.850 . . 1111 130 130 GLU HB3 H 2.468 . . 1112 130 130 GLU HG2 H 2.142 . . 1113 130 130 GLU CA C 60.526 . . 1114 130 130 GLU CB C 28.445 . . 1115 130 130 GLU CG C 34.813 . . 1116 130 130 GLU N N 122.254 . . 1117 131 131 MET H H 7.983 . . 1118 131 131 MET HA H 4.091 . . 1119 131 131 MET HB2 H 2.228 . . 1120 131 131 MET HB3 H 2.172 . . 1121 131 131 MET HG2 H 2.754 . . 1122 131 131 MET HG3 H 2.609 . . 1123 131 131 MET HE H 2.069 . . 1124 131 131 MET CA C 58.797 . . 1125 131 131 MET CB C 32.252 . . 1126 131 131 MET CG C 32.078 . . 1127 131 131 MET CE C 17.039 . . 1128 131 131 MET N N 117.944 . . 1129 132 132 SER H H 8.051 . . 1130 132 132 SER HA H 4.231 . . 1131 132 132 SER HB2 H 3.950 . . 1132 132 132 SER CA C 61.498 . . 1133 132 132 SER CB C 62.699 . . 1134 132 132 SER N N 116.169 . . 1135 133 133 LEU H H 8.374 . . 1136 133 133 LEU HA H 4.115 . . 1137 133 133 LEU HB2 H 1.784 . . 1138 133 133 LEU HG H 1.655 . . 1139 133 133 LEU HD1 H 0.996 . . 1140 133 133 LEU HD2 H 0.960 . . 1141 133 133 LEU CA C 58.193 . . 1142 133 133 LEU CB C 42.184 . . 1143 133 133 LEU CG C 27.322 . . 1144 133 133 LEU CD1 C 25.514 . . 1145 133 133 LEU CD2 C 26.280 . . 1146 133 133 LEU N N 123.522 . . 1147 134 134 LYS H H 8.354 . . 1148 134 134 LYS HA H 3.891 . . 1149 134 134 LYS HB2 H 1.842 . . 1150 134 134 LYS HB3 H 1.954 . . 1151 134 134 LYS HG2 H 1.407 . . 1152 134 134 LYS HD2 H 1.690 . . 1153 134 134 LYS CA C 60.490 . . 1154 134 134 LYS CB C 32.115 . . 1155 134 134 LYS CD C 29.566 . . 1156 134 134 LYS N N 118.324 . . 1157 135 135 HIS H H 7.941 . . 1158 135 135 HIS HA H 4.343 . . 1159 135 135 HIS HB2 H 3.261 . . 1160 135 135 HIS HB3 H 3.172 . . 1161 135 135 HIS HD2 H 6.851 . . 1162 135 135 HIS HE1 H 7.750 . . 1163 135 135 HIS CA C 60.129 . . 1164 135 135 HIS CB C 30.292 . . 1165 135 135 HIS CD2 C 118.759 . . 1166 135 135 HIS CE1 C 138.310 . . 1167 135 135 HIS N N 120.353 . . 1168 136 136 MET H H 8.480 . . 1169 136 136 MET HA H 3.559 . . 1170 136 136 MET HB2 H 2.212 . . 1171 136 136 MET HB3 H 2.058 . . 1172 136 136 MET HG2 H 2.050 . . 1173 136 136 MET HE H 1.659 . . 1174 136 136 MET CA C 60.189 . . 1175 136 136 MET CB C 34.266 . . 1176 136 136 MET CG C 32.756 . . 1177 136 136 MET CE C 17.722 . . 1178 136 136 MET N N 122.381 . . 1179 137 137 MET H H 8.571 . . 1180 137 137 MET HA H 4.249 . . 1181 137 137 MET HB2 H 2.085 . . 1182 137 137 MET HB3 H 2.281 . . 1183 137 137 MET HG2 H 2.474 . . 1184 137 137 MET HG3 H 2.580 . . 1185 137 137 MET HE H 2.023 . . 1186 137 137 MET CA C 58.130 . . 1187 137 137 MET CB C 32.076 . . 1188 137 137 MET CG C 33.180 . . 1189 137 137 MET CE C 17.586 . . 1190 137 137 MET N N 117.874 . . 1191 138 138 LYS H H 7.942 . . 1192 138 138 LYS HA H 4.020 . . 1193 138 138 LYS HB2 H 1.937 . . 1194 138 138 LYS HG2 H 1.452 . . 1195 138 138 LYS CA C 59.953 . . 1196 138 138 LYS CB C 32.198 . . 1197 138 138 LYS CG C 25.176 . . 1198 138 138 LYS CD C 30.270 . . 1199 138 138 LYS N N 118.451 . . 1200 139 139 THR H H 8.030 . . 1201 139 139 THR HA H 3.864 . . 1202 139 139 THR HB H 4.594 . . 1203 139 139 THR HG2 H 1.527 . . 1204 139 139 THR CA C 67.614 . . 1205 139 139 THR CB C 68.937 . . 1206 139 139 THR CG2 C 21.983 . . 1207 139 139 THR N N 116.676 . . 1208 140 140 VAL H H 8.570 . . 1209 140 140 VAL HA H 4.440 . . 1210 140 140 VAL HB H 2.281 . . 1211 140 140 VAL HG1 H 1.123 . . 1212 140 140 VAL HG2 H 1.132 . . 1213 140 140 VAL CA C 65.710 . . 1214 140 140 VAL CB C 32.072 . . 1215 140 140 VAL CG1 C 23.054 . . 1216 140 140 VAL CG2 C 24.832 . . 1217 140 140 VAL N N 121.240 . . 1218 141 141 LEU H H 7.980 . . 1219 141 141 LEU HA H 4.267 . . 1220 141 141 LEU HB2 H 1.557 . . 1221 141 141 LEU HB3 H 1.917 . . 1222 141 141 LEU HG H 1.886 . . 1223 141 141 LEU HD1 H 0.945 . . 1224 141 141 LEU HD2 H 0.953 . . 1225 141 141 LEU CA C 58.076 . . 1226 141 141 LEU CB C 41.412 . . 1227 141 141 LEU CG C 27.380 . . 1228 141 141 LEU CD1 C 25.169 . . 1229 141 141 LEU CD2 C 23.381 . . 1230 141 141 LEU N N 121.390 . . 1231 142 142 LYS H H 7.700 . . 1232 142 142 LYS HA H 4.199 . . 1233 142 142 LYS CA C 59.423 . . 1234 142 142 LYS CB C 30.891 . . 1235 142 142 LYS N N 121.060 . . 1236 143 143 ASP H H 8.966 . . 1237 143 143 ASP HA H 4.298 . . 1238 143 143 ASP CA C 58.430 . . 1239 143 143 ASP CB C 41.950 . . 1240 143 143 ASP N N 123.582 . . 1241 144 144 LYS H H 8.282 . . 1242 144 144 LYS CA C 59.525 . . 1243 144 144 LYS CB C 31.418 . . 1244 144 144 LYS N N 120.222 . . 1245 145 145 HIS H H 7.458 . . 1246 145 145 HIS HA H 4.449 . . 1247 145 145 HIS HB2 H 3.373 . . 1248 145 145 HIS HB3 H 3.307 . . 1249 145 145 HIS HD2 H 7.146 . . 1250 145 145 HIS HE1 H 8.180 . . 1251 145 145 HIS CA C 58.876 . . 1252 145 145 HIS CB C 29.344 . . 1253 145 145 HIS CD2 C 119.849 . . 1254 145 145 HIS CE1 C 137.564 . . 1255 145 145 HIS N N 116.085 . . 1256 146 146 LYS H H 8.784 . . 1257 146 146 LYS HA H 3.745 . . 1258 146 146 LYS CA C 60.094 . . 1259 146 146 LYS CB C 32.488 . . 1260 146 146 LYS N N 119.522 . . 1261 147 147 ILE H H 8.552 . . 1262 147 147 ILE HA H 3.740 . . 1263 147 147 ILE HB H 1.820 . . 1264 147 147 ILE HG2 H 0.864 . . 1265 147 147 ILE HD1 H 0.614 . . 1266 147 147 ILE CA C 66.893 . . 1267 147 147 ILE CB C 38.231 . . 1268 147 147 ILE CG2 C 17.648 . . 1269 147 147 ILE CD1 C 12.800 . . 1270 147 147 ILE N N 122.000 . . 1271 148 148 GLU H H 8.446 . . 1272 148 148 GLU HA H 3.775 . . 1273 148 148 GLU HB2 H 1.970 . . 1274 148 148 GLU HG2 H 2.059 . . 1275 148 148 GLU HG3 H 2.512 . . 1276 148 148 GLU CA C 60.944 . . 1277 148 148 GLU CB C 29.570 . . 1278 148 148 GLU CG C 37.274 . . 1279 148 148 GLU N N 118.962 . . 1280 149 149 GLU H H 9.016 . . 1281 149 149 GLU HA H 4.126 . . 1282 149 149 GLU HB2 H 2.080 . . 1283 149 149 GLU HG2 H 2.325 . . 1284 149 149 GLU CA C 59.423 . . 1285 149 149 GLU CB C 30.301 . . 1286 149 149 GLU CG C 36.835 . . 1287 149 149 GLU N N 120.226 . . 1288 150 150 THR H H 7.916 . . 1289 150 150 THR HA H 3.819 . . 1290 150 150 THR HB H 3.901 . . 1291 150 150 THR HG2 H 0.070 . . 1292 150 150 THR CA C 67.490 . . 1293 150 150 THR CB C 68.580 . . 1294 150 150 THR CG2 C 20.184 . . 1295 150 150 THR N N 117.817 . . 1296 151 151 ILE H H 8.557 . . 1297 151 151 ILE HA H 3.725 . . 1298 151 151 ILE HB H 2.121 . . 1299 151 151 ILE HG12 H 2.035 . . 1300 151 151 ILE HG2 H 1.086 . . 1301 151 151 ILE HD1 H 0.909 . . 1302 151 151 ILE CA C 67.353 . . 1303 151 151 ILE CB C 37.958 . . 1304 151 151 ILE CG1 C 30.250 . . 1305 151 151 ILE CG2 C 18.133 . . 1306 151 151 ILE CD1 C 14.410 . . 1307 151 151 ILE N N 121.874 . . 1308 152 152 ALA H H 7.720 . . 1309 152 152 ALA HA H 4.375 . . 1310 152 152 ALA HB H 1.605 . . 1311 152 152 ALA CA C 55.595 . . 1312 152 152 ALA CB C 17.730 . . 1313 152 152 ALA N N 120.660 . . 1314 153 153 THR H H 8.278 . . 1315 153 153 THR HA H 3.976 . . 1316 153 153 THR HB H 4.296 . . 1317 153 153 THR HG2 H 1.237 . . 1318 153 153 THR CA C 66.943 . . 1319 153 153 THR CB C 68.456 . . 1320 153 153 THR CG2 C 22.781 . . 1321 153 153 THR N N 118.705 . . 1322 154 154 LEU H H 8.891 . . 1323 154 154 LEU HA H 3.972 . . 1324 154 154 LEU HB2 H 2.167 . . 1325 154 154 LEU HB3 H 0.770 . . 1326 154 154 LEU HD1 H 0.369 . . 1327 154 154 LEU HD2 H 0.775 . . 1328 154 154 LEU CA C 58.740 . . 1329 154 154 LEU CB C 41.924 . . 1330 154 154 LEU CD1 C 24.422 . . 1331 154 154 LEU CD2 C 27.567 . . 1332 154 154 LEU N N 123.844 . . 1333 155 155 ASP H H 8.966 . . 1334 155 155 ASP HA H 4.725 . . 1335 155 155 ASP HB2 H 3.098 . . 1336 155 155 ASP HB3 H 2.696 . . 1337 155 155 ASP CA C 57.448 . . 1338 155 155 ASP CB C 40.924 . . 1339 155 155 ASP N N 120.924 . . 1340 156 156 GLU H H 7.697 . . 1341 156 156 GLU HA H 4.213 . . 1342 156 156 GLU HB2 H 2.186 . . 1343 156 156 GLU HG2 H 2.279 . . 1344 156 156 GLU CA C 59.448 . . 1345 156 156 GLU CB C 29.088 . . 1346 156 156 GLU CG C 35.848 . . 1347 156 156 GLU N N 120.987 . . 1348 157 157 TYR H H 9.042 . . 1349 157 157 TYR HA H 4.353 . . 1350 157 157 TYR HB2 H 3.162 . . 1351 157 157 TYR HB3 H 3.084 . . 1352 157 157 TYR HD1 H 7.224 . . 1353 157 157 TYR HE1 H 6.676 . . 1354 157 157 TYR CA C 59.970 . . 1355 157 157 TYR CB C 41.200 . . 1356 157 157 TYR CD1 C 132.490 . . 1357 157 157 TYR CE1 C 118.078 . . 1358 157 157 TYR N N 123.884 . . 1359 158 158 LYS H H 8.186 . . 1360 158 158 LYS HA H 4.587 . . 1361 158 158 LYS HB2 H 1.831 . . 1362 158 158 LYS HG2 H 1.283 . . 1363 158 158 LYS HD2 H 1.633 . . 1364 158 158 LYS HE2 H 3.013 . . 1365 158 158 LYS CA C 58.001 . . 1366 158 158 LYS CB C 31.526 . . 1367 158 158 LYS CG C 24.125 . . 1368 158 158 LYS CD C 29.223 . . 1369 158 158 LYS CE C 41.376 . . 1370 158 158 LYS N N 114.521 . . 1371 159 159 ARG H H 7.992 . . 1372 159 159 ARG HA H 4.126 . . 1373 159 159 ARG HB2 H 1.988 . . 1374 159 159 ARG HG2 H 1.863 . . 1375 159 159 ARG HG3 H 1.685 . . 1376 159 159 ARG HD2 H 3.258 . . 1377 159 159 ARG CA C 58.905 . . 1378 159 159 ARG CB C 30.509 . . 1379 159 159 ARG CG C 28.267 . . 1380 159 159 ARG CD C 43.563 . . 1381 159 159 ARG N N 118.705 . . 1382 160 160 LYS H H 7.512 . . 1383 160 160 LYS HA H 4.299 . . 1384 160 160 LYS HB2 H 2.034 . . 1385 160 160 LYS HB3 H 1.852 . . 1386 160 160 LYS HG2 H 1.566 . . 1387 160 160 LYS HD2 H 1.643 . . 1388 160 160 LYS HD3 H 1.509 . . 1389 160 160 LYS HE2 H 2.909 . . 1390 160 160 LYS CA C 56.783 . . 1391 160 160 LYS CB C 33.124 . . 1392 160 160 LYS CG C 25.323 . . 1393 160 160 LYS CD C 29.298 . . 1394 160 160 LYS CE C 42.125 . . 1395 160 160 LYS N N 116.803 . . 1396 161 161 ALA H H 7.485 . . 1397 161 161 ALA HA H 4.535 . . 1398 161 161 ALA HB H 1.556 . . 1399 161 161 ALA CA C 52.167 . . 1400 161 161 ALA CB C 18.953 . . 1401 161 161 ALA N N 123.522 . . 1402 162 162 SER H H 8.471 . . 1403 162 162 SER HA H 4.376 . . 1404 162 162 SER HB2 H 3.979 . . 1405 162 162 SER HB3 H 4.366 . . 1406 162 162 SER CA C 58.999 . . 1407 162 162 SER CB C 63.415 . . 1408 162 162 SER N N 116.043 . . 1409 163 163 GLY H H 8.449 . . 1410 163 163 GLY HA2 H 4.068 . . 1411 163 163 GLY CA C 45.498 . . 1412 163 163 GLY N N 111.333 . . 1413 164 164 GLY H H 8.340 . . 1414 164 164 GLY HA2 H 4.022 . . 1415 164 164 GLY CA C 45.310 . . 1416 164 164 GLY N N 108.960 . . 1417 165 165 SER H H 8.436 . . 1418 165 165 SER HA H 4.648 . . 1419 165 165 SER HB2 H 4.024 . . 1420 165 165 SER CA C 57.813 . . 1421 165 165 SER CB C 65.603 . . 1422 165 165 SER N N 115.685 . . 1423 167 167 GLY H H 8.661 . . 1424 167 167 GLY CA C 47.353 . . 1425 167 167 GLY N N 106.254 . . 1426 168 168 THR H H 7.868 . . 1427 168 168 THR HA H 3.563 . . 1428 168 168 THR HB H 3.933 . . 1429 168 168 THR HG2 H 0.644 . . 1430 168 168 THR CA C 65.986 . . 1431 168 168 THR CB C 67.760 . . 1432 168 168 THR CG2 C 21.886 . . 1433 168 168 THR N N 114.648 . . 1434 169 169 ARG H H 8.023 . . 1435 169 169 ARG HA H 4.186 . . 1436 169 169 ARG HB2 H 1.913 . . 1437 169 169 ARG HG2 H 1.800 . . 1438 169 169 ARG HG3 H 1.660 . . 1439 169 169 ARG HD2 H 3.226 . . 1440 169 169 ARG CA C 59.218 . . 1441 169 169 ARG CB C 29.924 . . 1442 169 169 ARG CG C 28.043 . . 1443 169 169 ARG CD C 43.382 . . 1444 169 169 ARG N N 122.888 . . 1445 170 170 MET HA H 4.054 . . 1446 170 170 MET HB2 H 2.250 . . 1447 170 170 MET HE H 2.191 . . 1448 170 170 MET CA C 58.954 . . 1449 170 170 MET CB C 32.079 . . 1450 170 170 MET CE C 17.362 . . 1451 171 171 PHE H H 8.258 . . 1452 171 171 PHE HA H 4.182 . . 1453 171 171 PHE HB2 H 3.073 . . 1454 171 171 PHE HD1 H 7.182 . . 1455 171 171 PHE HE1 H 7.394 . . 1456 171 171 PHE HZ H 7.344 . . 1457 171 171 PHE CA C 59.423 . . 1458 171 171 PHE CB C 41.850 . . 1459 171 171 PHE N N 120.480 . . 1460 172 172 GLU H H 8.233 . . 1461 172 172 GLU HA H 3.618 . . 1462 172 172 GLU HB2 H 2.161 . . 1463 172 172 GLU HB3 H 2.046 . . 1464 172 172 GLU HG2 H 2.524 . . 1465 172 172 GLU HG3 H 2.325 . . 1466 172 172 GLU CA C 59.970 . . 1467 172 172 GLU CB C 29.289 . . 1468 172 172 GLU CG C 36.413 . . 1469 172 172 GLU N N 119.212 . . 1470 173 173 ASP H H 7.622 . . 1471 173 173 ASP HA H 4.419 . . 1472 173 173 ASP HB2 H 2.897 . . 1473 173 173 ASP HB3 H 2.800 . . 1474 173 173 ASP CA C 57.465 . . 1475 173 173 ASP CB C 42.255 . . 1476 173 173 ASP N N 118.682 . . 1477 174 174 ARG H H 8.560 . . 1478 174 174 ARG HA H 3.979 . . 1479 174 174 ARG HB2 H 1.925 . . 1480 174 174 ARG HB3 H 2.043 . . 1481 174 174 ARG HG2 H 2.225 . . 1482 174 174 ARG HG3 H 1.804 . . 1483 174 174 ARG HD2 H 3.312 . . 1484 174 174 ARG CA C 57.099 . . 1485 174 174 ARG CB C 27.680 . . 1486 174 174 ARG CG C 25.516 . . 1487 174 174 ARG CD C 40.933 . . 1488 174 174 ARG N N 117.111 . . 1489 175 175 LYS H H 9.238 . . 1490 175 175 LYS HA H 3.623 . . 1491 175 175 LYS HB2 H 1.986 . . 1492 175 175 LYS HB3 H 2.209 . . 1493 175 175 LYS HG2 H 1.608 . . 1494 175 175 LYS HG3 H 1.529 . . 1495 175 175 LYS HD2 H 2.175 . . 1496 175 175 LYS HE2 H 2.818 . . 1497 175 175 LYS CA C 59.970 . . 1498 175 175 LYS CB C 31.532 . . 1499 175 175 LYS CG C 25.106 . . 1500 175 175 LYS CD C 29.680 . . 1501 175 175 LYS CE C 42.270 . . 1502 175 175 LYS N N 123.015 . . 1503 176 176 GLU H H 7.423 . . 1504 176 176 GLU HA H 4.001 . . 1505 176 176 GLU HB2 H 1.720 . . 1506 176 176 GLU HB3 H 2.169 . . 1507 176 176 GLU HG2 H 2.248 . . 1508 176 176 GLU HG3 H 2.397 . . 1509 176 176 GLU CA C 59.560 . . 1510 176 176 GLU CB C 29.094 . . 1511 176 176 GLU CG C 35.907 . . 1512 176 176 GLU N N 118.750 . . 1513 177 177 LYS H H 7.544 . . 1514 177 177 LYS HA H 3.978 . . 1515 177 177 LYS HB2 H 1.952 . . 1516 177 177 LYS HG2 H 1.457 . . 1517 177 177 LYS HG3 H 1.633 . . 1518 177 177 LYS HD2 H 1.784 . . 1519 177 177 LYS HE2 H 3.000 . . 1520 177 177 LYS CA C 59.565 . . 1521 177 177 LYS CB C 32.574 . . 1522 177 177 LYS CG C 26.199 . . 1523 177 177 LYS CD C 29.344 . . 1524 177 177 LYS CE C 42.330 . . 1525 177 177 LYS N N 117.944 . . 1526 178 178 ALA H H 8.600 . . 1527 178 178 ALA HA H 4.041 . . 1528 178 178 ALA HB H 1.474 . . 1529 178 178 ALA CA C 55.595 . . 1530 178 178 ALA CB C 19.143 . . 1531 178 178 ALA N N 123.015 . . 1532 179 179 LEU H H 8.484 . . 1533 179 179 LEU HA H 4.029 . . 1534 179 179 LEU HB2 H 1.943 . . 1535 179 179 LEU HB3 H 1.504 . . 1536 179 179 LEU HG H 1.892 . . 1537 179 179 LEU HD1 H 0.907 . . 1538 179 179 LEU HD2 H 0.893 . . 1539 179 179 LEU CA C 58.192 . . 1540 179 179 LEU CB C 41.102 . . 1541 179 179 LEU CG C 27.185 . . 1542 179 179 LEU CD1 C 25.789 . . 1543 179 179 LEU CD2 C 22.245 . . 1544 179 179 LEU N N 117.310 . . 1545 180 180 LYS H H 7.871 . . 1546 180 180 LYS HA H 4.137 . . 1547 180 180 LYS HB2 H 2.009 . . 1548 180 180 LYS HG2 H 1.690 . . 1549 180 180 LYS HD2 H 1.710 . . 1550 180 180 LYS CA C 59.620 . . 1551 180 180 LYS CB C 32.482 . . 1552 180 180 LYS CG C 25.610 . . 1553 180 180 LYS CD C 29.230 . . 1554 180 180 LYS CE C 42.080 . . 1555 180 180 LYS N N 120.226 . . 1556 181 181 THR H H 8.295 . . 1557 181 181 THR HA H 3.950 . . 1558 181 181 THR HB H 4.285 . . 1559 181 181 THR HG2 H 1.165 . . 1560 181 181 THR CA C 67.147 . . 1561 181 181 THR CB C 68.310 . . 1562 181 181 THR CG2 C 22.475 . . 1563 181 181 THR N N 118.832 . . 1564 182 182 MET H H 8.964 . . 1565 182 182 MET HA H 3.886 . . 1566 182 182 MET HB2 H 1.979 . . 1567 182 182 MET HB3 H 2.149 . . 1568 182 182 MET HG2 H 2.795 . . 1569 182 182 MET HG3 H 2.213 . . 1570 182 182 MET HE H 1.576 . . 1571 182 182 MET CA C 60.790 . . 1572 182 182 MET CB C 31.867 . . 1573 182 182 MET CG C 32.350 . . 1574 182 182 MET CE C 16.355 . . 1575 182 182 MET N N 120.353 . . 1576 183 183 ALA H H 8.089 . . 1577 183 183 ALA HA H 4.297 . . 1578 183 183 ALA HB H 1.594 . . 1579 183 183 ALA CA C 55.250 . . 1580 183 183 ALA CB C 17.910 . . 1581 183 183 ALA N N 122.381 . . 1582 184 184 LYS H H 7.568 . . 1583 184 184 LYS HA H 4.217 . . 1584 184 184 LYS HB2 H 2.071 . . 1585 184 184 LYS HG2 H 1.578 . . 1586 184 184 LYS HG3 H 1.717 . . 1587 184 184 LYS HD2 H 1.757 . . 1588 184 184 LYS CA C 59.150 . . 1589 184 184 LYS CB C 32.352 . . 1590 184 184 LYS CG C 25.346 . . 1591 184 184 LYS CD C 29.198 . . 1592 184 184 LYS N N 117.944 . . 1593 185 185 LYS H H 7.993 . . 1594 185 185 LYS HA H 4.031 . . 1595 185 185 LYS CA C 57.992 . . 1596 185 185 LYS CB C 29.235 . . 1597 185 185 LYS N N 117.183 . . 1598 186 186 ASP H H 8.167 . . 1599 186 186 ASP HA H 4.586 . . 1600 186 186 ASP HB2 H 3.019 . . 1601 186 186 ASP HB3 H 2.683 . . 1602 186 186 ASP CA C 57.646 . . 1603 186 186 ASP CB C 40.347 . . 1604 186 186 ASP N N 121.360 . . 1605 187 187 LEU H H 7.522 . . 1606 187 187 LEU HA H 4.167 . . 1607 187 187 LEU HB2 H 1.902 . . 1608 187 187 LEU HB3 H 1.669 . . 1609 187 187 LEU HG H 1.869 . . 1610 187 187 LEU HD1 H 1.034 . . 1611 187 187 LEU HD2 H 0.945 . . 1612 187 187 LEU CA C 58.037 . . 1613 187 187 LEU CB C 41.360 . . 1614 187 187 LEU CG C 27.144 . . 1615 187 187 LEU CD1 C 24.999 . . 1616 187 187 LEU CD2 C 23.309 . . 1617 187 187 LEU N N 119.085 . . 1618 188 188 LYS H H 7.298 . . 1619 188 188 LYS HA H 4.332 . . 1620 188 188 LYS HB2 H 2.025 . . 1621 188 188 LYS HD2 H 2.025 . . 1622 188 188 LYS CA C 57.220 . . 1623 188 188 LYS CB C 30.463 . . 1624 188 188 LYS CD C 30.463 . . 1625 188 188 LYS N N 120.353 . . 1626 189 189 LEU H H 8.003 . . 1627 189 189 LEU HB2 H 2.011 . . 1628 189 189 LEU HB3 H 1.654 . . 1629 189 189 LEU HD1 H 0.913 . . 1630 189 189 LEU HD2 H 1.024 . . 1631 189 189 LEU CA C 55.610 . . 1632 189 189 LEU CB C 41.512 . . 1633 189 189 LEU CD1 C 23.722 . . 1634 189 189 LEU CD2 C 25.184 . . 1635 189 189 LEU N N 118.705 . . 1636 190 190 GLN H H 8.287 . . 1637 190 190 GLN HA H 4.080 . . 1638 190 190 GLN HB2 H 2.239 . . 1639 190 190 GLN HG2 H 2.458 . . 1640 190 190 GLN HE21 H 7.814 . . 1641 190 190 GLN HE22 H 6.784 . . 1642 190 190 GLN CA C 58.915 . . 1643 190 190 GLN CB C 27.886 . . 1644 190 190 GLN CG C 33.305 . . 1645 190 190 GLN N N 121.114 . . 1646 190 190 GLN NE2 N 111.986 . . 1647 191 191 GLU H H 7.862 . . 1648 191 191 GLU HA H 4.101 . . 1649 191 191 GLU HB2 H 2.330 . . 1650 191 191 GLU HG2 H 2.503 . . 1651 191 191 GLU HG3 H 2.160 . . 1652 191 191 GLU CA C 59.833 . . 1653 191 191 GLU CB C 29.963 . . 1654 191 191 GLU CG C 36.100 . . 1655 191 191 GLU N N 121.113 . . 1656 192 192 ILE H H 8.397 . . 1657 192 192 ILE HA H 3.744 . . 1658 192 192 ILE HB H 2.036 . . 1659 192 192 ILE HG12 H 0.927 . . 1660 192 192 ILE HG2 H 1.023 . . 1661 192 192 ILE HD1 H 0.875 . . 1662 192 192 ILE CA C 65.210 . . 1663 192 192 ILE CB C 38.318 . . 1664 192 192 ILE CG1 C 25.280 . . 1665 192 192 ILE CG2 C 18.160 . . 1666 192 192 ILE CD1 C 13.788 . . 1667 192 192 ILE N N 119.465 . . 1668 193 193 THR H H 8.317 . . 1669 193 193 THR HA H 3.803 . . 1670 193 193 THR HB H 4.446 . . 1671 193 193 THR HG2 H 1.273 . . 1672 193 193 THR CA C 67.894 . . 1673 193 193 THR CB C 68.768 . . 1674 193 193 THR CG2 C 21.159 . . 1675 193 193 THR N N 116.803 . . 1676 194 194 GLU H H 8.091 . . 1677 194 194 GLU HA H 3.888 . . 1678 194 194 GLU HB2 H 1.694 . . 1679 194 194 GLU HB3 H 2.128 . . 1680 194 194 GLU HG2 H 2.579 . . 1681 194 194 GLU HG3 H 2.232 . . 1682 194 194 GLU CA C 60.243 . . 1683 194 194 GLU CB C 29.207 . . 1684 194 194 GLU CG C 36.801 . . 1685 194 194 GLU N N 122.001 . . 1686 195 195 LEU H H 8.273 . . 1687 195 195 LEU HA H 4.204 . . 1688 195 195 LEU HB2 H 1.498 . . 1689 195 195 LEU HB3 H 2.025 . . 1690 195 195 LEU HG H 1.854 . . 1691 195 195 LEU HD1 H 0.921 . . 1692 195 195 LEU HD2 H 0.926 . . 1693 195 195 LEU CA C 58.193 . . 1694 195 195 LEU CB C 42.967 . . 1695 195 195 LEU CG C 27.140 . . 1696 195 195 LEU CD1 C 24.216 . . 1697 195 195 LEU CD2 C 25.106 . . 1698 195 195 LEU N N 121.367 . . 1699 196 196 LEU H H 8.811 . . 1700 196 196 LEU HA H 4.096 . . 1701 196 196 LEU HB2 H 1.956 . . 1702 196 196 LEU HB3 H 1.722 . . 1703 196 196 LEU HD1 H 0.922 . . 1704 196 196 LEU HD2 H 0.915 . . 1705 196 196 LEU CA C 58.561 . . 1706 196 196 LEU CB C 42.056 . . 1707 196 196 LEU CD1 C 24.216 . . 1708 196 196 LEU CD2 C 25.242 . . 1709 196 196 LEU N N 120.860 . . 1710 197 197 ARG H H 7.666 . . 1711 197 197 ARG HA H 4.071 . . 1712 197 197 ARG HB2 H 1.930 . . 1713 197 197 ARG HG2 H 1.839 . . 1714 197 197 ARG CA C 58.830 . . 1715 197 197 ARG CB C 31.434 . . 1716 197 197 ARG CG C 26.271 . . 1717 197 197 ARG N N 117.564 . . 1718 198 198 ASP H H 8.838 . . 1719 198 198 ASP HA H 4.734 . . 1720 198 198 ASP HB2 H 2.778 . . 1721 198 198 ASP CA C 56.147 . . 1722 198 198 ASP CB C 41.392 . . 1723 198 198 ASP N N 114.268 . . 1724 199 199 GLU H H 7.975 . . 1725 199 199 GLU HA H 4.731 . . 1726 199 199 GLU HB2 H 2.121 . . 1727 199 199 GLU HG2 H 2.145 . . 1728 199 199 GLU HG3 H 2.214 . . 1729 199 199 GLU CA C 57.314 . . 1730 199 199 GLU CB C 32.127 . . 1731 199 199 GLU CG C 35.475 . . 1732 199 199 GLU N N 116.423 . . 1733 200 200 ILE H H 8.243 . . 1734 200 200 ILE HA H 3.776 . . 1735 200 200 ILE HB H 2.275 . . 1736 200 200 ILE HG12 H 1.848 . . 1737 200 200 ILE HG13 H 1.036 . . 1738 200 200 ILE HG2 H 0.891 . . 1739 200 200 ILE HD1 H 0.952 . . 1740 200 200 ILE CA C 65.659 . . 1741 200 200 ILE CB C 38.231 . . 1742 200 200 ILE CG1 C 29.230 . . 1743 200 200 ILE CG2 C 17.174 . . 1744 200 200 ILE CD1 C 13.634 . . 1745 200 200 ILE N N 119.391 . . 1746 201 201 GLU H H 8.976 . . 1747 201 201 GLU HA H 4.233 . . 1748 201 201 GLU HB2 H 2.147 . . 1749 201 201 GLU HB3 H 2.370 . . 1750 201 201 GLU HG2 H 2.384 . . 1751 201 201 GLU CA C 61.550 . . 1752 201 201 GLU CB C 26.610 . . 1753 201 201 GLU CG C 36.474 . . 1754 201 201 GLU N N 119.212 . . 1755 202 202 PRO HA H 4.377 . . 1756 202 202 PRO HB2 H 2.365 . . 1757 202 202 PRO HB3 H 1.789 . . 1758 202 202 PRO HG3 H 2.023 . . 1759 202 202 PRO HD2 H 3.122 . . 1760 202 202 PRO HD3 H 3.769 . . 1761 202 202 PRO CA C 65.986 . . 1762 202 202 PRO CB C 31.196 . . 1763 202 202 PRO CG C 28.797 . . 1764 202 202 PRO CD C 50.399 . . 1765 203 203 LYS H H 7.081 . . 1766 203 203 LYS HA H 4.119 . . 1767 203 203 LYS HB2 H 1.884 . . 1768 203 203 LYS HB3 H 2.110 . . 1769 203 203 LYS HG2 H 1.786 . . 1770 203 203 LYS HG3 H 1.495 . . 1771 203 203 LYS HD2 H 1.675 . . 1772 203 203 LYS HE2 H 3.057 . . 1773 203 203 LYS CA C 59.595 . . 1774 203 203 LYS CB C 33.310 . . 1775 203 203 LYS CG C 26.697 . . 1776 203 203 LYS CD C 29.636 . . 1777 203 203 LYS CE C 42.315 . . 1778 203 203 LYS N N 116.930 . . 1779 204 204 LEU H H 8.524 . . 1780 204 204 LEU HA H 4.045 . . 1781 204 204 LEU HB2 H 1.887 . . 1782 204 204 LEU HB3 H 1.599 . . 1783 204 204 LEU HG H 1.679 . . 1784 204 204 LEU HD1 H 0.811 . . 1785 204 204 LEU HD2 H 0.856 . . 1786 204 204 LEU CA C 57.704 . . 1787 204 204 LEU CB C 41.236 . . 1788 204 204 LEU CG C 27.430 . . 1789 204 204 LEU CD1 C 24.404 . . 1790 204 204 LEU CD2 C 25.333 . . 1791 204 204 LEU N N 122.254 . . 1792 205 205 GLU H H 8.474 . . 1793 205 205 GLU HA H 4.132 . . 1794 205 205 GLU HB2 H 2.153 . . 1795 205 205 GLU HB3 H 2.043 . . 1796 205 205 GLU HG2 H 2.328 . . 1797 205 205 GLU CA C 59.281 . . 1798 205 205 GLU CB C 28.938 . . 1799 205 205 GLU CG C 35.547 . . 1800 205 205 GLU N N 119.592 . . 1801 206 206 LYS H H 7.419 . . 1802 206 206 LYS HA H 4.150 . . 1803 206 206 LYS HB2 H 1.974 . . 1804 206 206 LYS HG2 H 1.532 . . 1805 206 206 LYS HG3 H 1.676 . . 1806 206 206 LYS HD2 H 1.720 . . 1807 206 206 LYS HE2 H 2.991 . . 1808 206 206 LYS CA C 59.423 . . 1809 206 206 LYS CB C 32.078 . . 1810 206 206 LYS CG C 25.379 . . 1811 206 206 LYS CD C 29.087 . . 1812 206 206 LYS CE C 42.059 . . 1813 206 206 LYS N N 118.830 . . 1814 207 207 LEU H H 7.705 . . 1815 207 207 LEU HB2 H 1.979 . . 1816 207 207 LEU HB3 H 1.562 . . 1817 207 207 LEU HG H 1.873 . . 1818 207 207 LEU HD1 H 0.920 . . 1819 207 207 LEU HD2 H 0.884 . . 1820 207 207 LEU CA C 57.500 . . 1821 207 207 LEU CB C 41.786 . . 1822 207 207 LEU CG C 27.279 . . 1823 207 207 LEU CD1 C 25.789 . . 1824 207 207 LEU CD2 C 23.393 . . 1825 207 207 LEU N N 120.200 . . 1826 208 208 ARG H H 8.576 . . 1827 208 208 ARG HA H 3.879 . . 1828 208 208 ARG HB2 H 1.828 . . 1829 208 208 ARG HD2 H 3.244 . . 1830 208 208 ARG HD3 H 3.101 . . 1831 208 208 ARG CA C 60.369 . . 1832 208 208 ARG CB C 30.300 . . 1833 208 208 ARG CD C 43.700 . . 1834 208 208 ARG N N 119.085 . . 1835 209 209 GLN H H 8.083 . . 1836 209 209 GLN HA H 4.099 . . 1837 209 209 GLN HE21 H 7.709 . . 1838 209 209 GLN HE22 H 6.839 . . 1839 209 209 GLN CA C 58.954 . . 1840 209 209 GLN CB C 27.973 . . 1841 209 209 GLN N N 119.339 . . 1842 209 209 GLN NE2 N 112.113 . . 1843 210 210 GLU H H 8.086 . . 1844 210 210 GLU HA H 4.094 . . 1845 210 210 GLU HB2 H 2.251 . . 1846 210 210 GLU CA C 58.739 . . 1847 210 210 GLU CB C 28.364 . . 1848 210 210 GLU N N 121.775 . . 1849 211 211 LYS H H 7.901 . . 1850 211 211 LYS CA C 58.548 . . 1851 211 211 LYS CB C 31.544 . . 1852 211 211 LYS N N 120.860 . . 1853 212 212 ARG H H 7.943 . . 1854 212 212 ARG HA H 4.060 . . 1855 212 212 ARG HB2 H 1.938 . . 1856 212 212 ARG HG2 H 1.757 . . 1857 212 212 ARG HD2 H 3.226 . . 1858 212 212 ARG CA C 58.878 . . 1859 212 212 ARG CB C 30.000 . . 1860 212 212 ARG CG C 27.294 . . 1861 212 212 ARG CD C 43.564 . . 1862 212 212 ARG N N 118.332 . . 1863 213 213 ALA H H 7.876 . . 1864 213 213 ALA HA H 4.214 . . 1865 213 213 ALA HB H 1.458 . . 1866 213 213 ALA CA C 54.364 . . 1867 213 213 ALA CB C 18.337 . . 1868 213 213 ALA N N 120.860 . . 1869 214 214 PHE H H 7.979 . . 1870 214 214 PHE HA H 4.439 . . 1871 214 214 PHE HB2 H 3.233 . . 1872 214 214 PHE HB3 H 3.212 . . 1873 214 214 PHE HD1 H 7.247 . . 1874 214 214 PHE HE1 H 7.312 . . 1875 214 214 PHE CA C 59.970 . . 1876 214 214 PHE CB C 39.352 . . 1877 214 214 PHE CD1 C 132.157 . . 1878 214 214 PHE CE1 C 129.920 . . 1879 214 214 PHE N N 118.451 . . 1880 215 215 LEU H H 8.179 . . 1881 215 215 LEU HA H 4.094 . . 1882 215 215 LEU HB2 H 1.813 . . 1883 215 215 LEU HB3 H 1.526 . . 1884 215 215 LEU HG H 1.865 . . 1885 215 215 LEU HD1 H 0.935 . . 1886 215 215 LEU HD2 H 0.935 . . 1887 215 215 LEU CA C 56.563 . . 1888 215 215 LEU CB C 41.923 . . 1889 215 215 LEU CG C 26.948 . . 1890 215 215 LEU CD1 C 25.730 . . 1891 215 215 LEU CD2 C 22.871 . . 1892 215 215 LEU N N 120.480 . . 1893 216 216 ASP H H 8.203 . . 1894 216 216 ASP HA H 4.468 . . 1895 216 216 ASP HB2 H 2.631 . . 1896 216 216 ASP CA C 55.708 . . 1897 216 216 ASP CB C 40.755 . . 1898 216 216 ASP N N 119.592 . . 1899 217 217 PHE H H 7.864 . . 1900 217 217 PHE HA H 4.485 . . 1901 217 217 PHE HB2 H 3.165 . . 1902 217 217 PHE HD1 H 7.235 . . 1903 217 217 PHE HE1 H 7.338 . . 1904 217 217 PHE HZ H 7.350 . . 1905 217 217 PHE CA C 58.871 . . 1906 217 217 PHE CB C 39.240 . . 1907 217 217 PHE CD1 C 131.887 . . 1908 217 217 PHE CE1 C 131.498 . . 1909 217 217 PHE CZ C 131.410 . . 1910 217 217 PHE N N 120.046 . . 1911 218 218 GLN H H 8.115 . . 1912 218 218 GLN HA H 4.100 . . 1913 218 218 GLN HB2 H 1.932 . . 1914 218 218 GLN HB3 H 2.042 . . 1915 218 218 GLN HG2 H 2.231 . . 1916 218 218 GLN HE21 H 7.337 . . 1917 218 218 GLN HE22 H 6.799 . . 1918 218 218 GLN CA C 56.520 . . 1919 218 218 GLN CB C 29.314 . . 1920 218 218 GLN CG C 33.947 . . 1921 218 218 GLN N N 120.334 . . 1922 218 218 GLN NE2 N 112.243 . . 1923 219 219 GLN H H 8.078 . . 1924 219 219 GLN HA H 4.317 . . 1925 219 219 GLN HB2 H 2.053 . . 1926 219 219 GLN HB3 H 2.174 . . 1927 219 219 GLN HG2 H 2.414 . . 1928 219 219 GLN HE21 H 7.553 . . 1929 219 219 GLN HE22 H 6.838 . . 1930 219 219 GLN CA C 56.284 . . 1931 219 219 GLN CB C 29.352 . . 1932 219 219 GLN CG C 34.010 . . 1933 219 219 GLN N N 119.715 . . 1934 219 219 GLN NE2 N 112.364 . . 1935 220 220 THR H H 8.030 . . 1936 220 220 THR HA H 4.341 . . 1937 220 220 THR HB H 4.249 . . 1938 220 220 THR HG2 H 1.218 . . 1939 220 220 THR CA C 61.954 . . 1940 220 220 THR CB C 69.951 . . 1941 220 220 THR CG2 C 21.688 . . 1942 220 220 THR N N 114.465 . . 1943 221 221 GLN H H 7.879 . . 1944 221 221 GLN HA H 4.130 . . 1945 221 221 GLN HB2 H 1.914 . . 1946 221 221 GLN HB3 H 2.077 . . 1947 221 221 GLN HG2 H 2.234 . . 1948 221 221 GLN HG3 H 2.234 . . 1949 221 221 GLN HE21 H 6.761 . . 1950 221 221 GLN HE22 H 7.398 . . 1951 221 221 GLN CA C 57.404 . . 1952 221 221 GLN CB C 30.360 . . 1953 221 221 GLN CG C 34.315 . . 1954 221 221 GLN N N 127.319 . . 1955 221 221 GLN NE2 N 112.720 . . stop_ save_