data_34448 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Bam_5925cDD 5924nDD docking domains ; _BMRB_accession_number 34448 _BMRB_flat_file_name bmr34448.str _Entry_type original _Submission_date 2019-11-08 _Accession_date 2019-11-08 _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 Risser F. . . 2 Chagot B. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 942 "13C chemical shifts" 654 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-06 original BMRB . stop_ _Original_release_date 2020-07-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Understanding Intersubunit Interactions in the Enacyloxin Mixed cis-/trans-AT Polyketide Synthase ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Risser F. . . 2 'Dos Santos-Morais' R. . . 3 Collin S. . . 4 Gruez A. . . 5 Chagot B. . . 6 Weissman K. J. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Beta-ketoacyl synthase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 unit_2 $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 9150.089 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; GPGSYAPLDTELSEIEGLQD DDLAALLGKEFIREGGGSGG GSGGGSMNKPTSSDGWKDDY LSRLSRLSKNQLMALALKLK QQQLEQG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 GLY 4 SER 5 TYR 6 ALA 7 PRO 8 LEU 9 ASP 10 THR 11 GLU 12 LEU 13 SER 14 GLU 15 ILE 16 GLU 17 GLY 18 LEU 19 GLN 20 ASP 21 ASP 22 ASP 23 LEU 24 ALA 25 ALA 26 LEU 27 LEU 28 GLY 29 LYS 30 GLU 31 PHE 32 ILE 33 ARG 34 GLU 35 GLY 36 GLY 37 GLY 38 SER 39 GLY 40 GLY 41 GLY 42 SER 43 GLY 44 GLY 45 GLY 46 SER 47 MET 48 ASN 49 LYS 50 PRO 51 THR 52 SER 53 SER 54 ASP 55 GLY 56 TRP 57 LYS 58 ASP 59 ASP 60 TYR 61 LEU 62 SER 63 ARG 64 LEU 65 SER 66 ARG 67 LEU 68 SER 69 LYS 70 ASN 71 GLN 72 LEU 73 MET 74 ALA 75 LEU 76 ALA 77 LEU 78 LYS 79 LEU 80 LYS 81 GLN 82 GLN 83 GLN 84 LEU 85 GLU 86 GLN 87 GLY 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 'Burkholderia ambifaria' 339670 Bacteria . Burkholderia ambifaria 'Bamb_5925 Bamb_5924' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pBG102 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-100% 13C; U-100% 15N] protein, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Amber _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 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_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M 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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_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 CBCA(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_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 1 1 GLY HA2 H 3.998 0.000 . 2 1 1 GLY HA3 H 3.998 0.000 . 3 2 2 PRO HA H 4.460 0.002 . 4 2 2 PRO HB2 H 2.307 0.003 . 5 2 2 PRO HB3 H 1.984 0.001 . 6 2 2 PRO HG2 H 2.029 0.002 . 7 2 2 PRO HG3 H 2.029 0.002 . 8 2 2 PRO HD2 H 3.574 0.003 . 9 2 2 PRO HD3 H 3.599 0.003 . 10 2 2 PRO C C 177.505 0.005 . 11 2 2 PRO CA C 63.579 0.102 . 12 2 2 PRO CB C 32.174 0.045 . 13 2 2 PRO CG C 27.166 0.091 . 14 2 2 PRO CD C 49.676 0.024 . 15 3 3 GLY H H 8.637 0.002 . 16 3 3 GLY HA2 H 3.950 0.005 . 17 3 3 GLY HA3 H 3.950 0.005 . 18 3 3 GLY C C 174.174 0.007 . 19 3 3 GLY CA C 45.418 0.139 . 20 3 3 GLY N N 109.906 0.020 . 21 4 4 SER H H 8.058 0.002 . 22 4 4 SER HA H 4.394 0.004 . 23 4 4 SER HB2 H 3.765 0.002 . 24 4 4 SER HB3 H 3.765 0.002 . 25 4 4 SER C C 174.041 0.066 . 26 4 4 SER CA C 58.462 0.155 . 27 4 4 SER CB C 63.851 0.068 . 28 4 4 SER N N 115.369 0.010 . 29 5 5 TYR H H 8.208 0.002 . 30 5 5 TYR HA H 4.566 0.006 . 31 5 5 TYR HB2 H 3.028 0.002 . 32 5 5 TYR HB3 H 2.924 0.003 . 33 5 5 TYR HD1 H 7.092 0.003 . 34 5 5 TYR HD2 H 7.092 0.003 . 35 5 5 TYR HE1 H 6.792 0.002 . 36 5 5 TYR HE2 H 6.792 0.002 . 37 5 5 TYR C C 174.977 0.006 . 38 5 5 TYR CA C 57.703 0.148 . 39 5 5 TYR CB C 38.773 0.021 . 40 5 5 TYR CD1 C 133.307 0.021 . 41 5 5 TYR CE1 C 118.155 0.005 . 42 5 5 TYR N N 121.995 0.019 . 43 6 6 ALA H H 8.045 0.005 . 44 6 6 ALA HA H 4.535 0.009 . 45 6 6 ALA HB H 1.286 0.001 . 46 6 6 ALA C C 174.903 0.000 . 47 6 6 ALA CA C 50.505 0.119 . 48 6 6 ALA CB C 18.503 0.011 . 49 6 6 ALA N N 127.237 0.017 . 50 7 7 PRO HA H 4.364 0.003 . 51 7 7 PRO HB2 H 2.300 0.002 . 52 7 7 PRO HB3 H 1.892 0.006 . 53 7 7 PRO HG2 H 1.969 0.011 . 54 7 7 PRO HG3 H 1.930 0.008 . 55 7 7 PRO HD2 H 3.492 0.004 . 56 7 7 PRO HD3 H 3.618 0.001 . 57 7 7 PRO C C 178.023 0.000 . 58 7 7 PRO CA C 63.098 0.071 . 59 7 7 PRO CB C 32.052 0.117 . 60 7 7 PRO CG C 27.594 0.032 . 61 7 7 PRO CD C 50.357 0.058 . 62 8 8 LEU H H 8.595 0.002 . 63 8 8 LEU HA H 4.195 0.002 . 64 8 8 LEU HB2 H 1.685 0.002 . 65 8 8 LEU HB3 H 1.529 0.011 . 66 8 8 LEU HG H 1.586 0.002 . 67 8 8 LEU HD1 H 0.689 0.001 . 68 8 8 LEU HD2 H 0.660 0.002 . 69 8 8 LEU C C 177.643 0.009 . 70 8 8 LEU CA C 56.712 0.113 . 71 8 8 LEU CB C 42.350 0.058 . 72 8 8 LEU CG C 27.214 0.054 . 73 8 8 LEU CD1 C 24.264 0.066 . 74 8 8 LEU CD2 C 25.084 0.078 . 75 8 8 LEU N N 123.046 0.017 . 76 9 9 ASP H H 8.389 0.004 . 77 9 9 ASP HA H 4.746 0.007 . 78 9 9 ASP HB2 H 2.990 0.002 . 79 9 9 ASP HB3 H 2.748 0.003 . 80 9 9 ASP C C 177.269 0.008 . 81 9 9 ASP CA C 53.844 0.187 . 82 9 9 ASP CB C 40.367 0.027 . 83 9 9 ASP N N 117.407 0.014 . 84 10 10 THR H H 7.880 0.002 . 85 10 10 THR HA H 3.932 0.003 . 86 10 10 THR HB H 4.071 0.005 . 87 10 10 THR HG2 H 1.226 0.009 . 88 10 10 THR C C 176.209 0.000 . 89 10 10 THR CA C 66.515 0.125 . 90 10 10 THR CB C 68.863 0.098 . 91 10 10 THR CG2 C 21.691 0.063 . 92 10 10 THR N N 116.010 0.033 . 93 11 11 GLU H H 8.598 0.003 . 94 11 11 GLU HA H 4.163 0.008 . 95 11 11 GLU HB2 H 1.902 0.010 . 96 11 11 GLU HB3 H 1.902 0.010 . 97 11 11 GLU HG2 H 2.304 0.008 . 98 11 11 GLU HG3 H 2.304 0.008 . 99 11 11 GLU C C 177.520 0.000 . 100 11 11 GLU CA C 59.987 0.056 . 101 11 11 GLU CB C 27.996 0.062 . 102 11 11 GLU CG C 36.358 0.010 . 103 11 11 GLU N N 119.387 0.058 . 104 12 12 LEU H H 7.563 0.002 . 105 12 12 LEU HA H 3.966 0.004 . 106 12 12 LEU HB2 H 2.152 0.014 . 107 12 12 LEU HB3 H 1.467 0.008 . 108 12 12 LEU HG H 1.579 0.002 . 109 12 12 LEU HD1 H 0.879 0.003 . 110 12 12 LEU HD2 H 0.860 0.003 . 111 12 12 LEU C C 177.711 0.000 . 112 12 12 LEU CA C 57.925 0.100 . 113 12 12 LEU CB C 42.090 0.114 . 114 12 12 LEU CG C 27.158 0.038 . 115 12 12 LEU CD1 C 28.396 0.089 . 116 12 12 LEU CD2 C 22.889 0.022 . 117 12 12 LEU N N 120.406 0.021 . 118 13 13 SER H H 8.465 0.005 . 119 13 13 SER HA H 4.381 0.014 . 120 13 13 SER HB2 H 3.838 0.004 . 121 13 13 SER HB3 H 3.897 0.009 . 122 13 13 SER C C 177.266 0.000 . 123 13 13 SER CA C 61.462 0.125 . 124 13 13 SER CB C 62.717 0.061 . 125 13 13 SER N N 114.509 0.013 . 126 14 14 GLU H H 7.660 0.002 . 127 14 14 GLU HA H 3.996 0.008 . 128 14 14 GLU HB2 H 2.148 0.001 . 129 14 14 GLU HB3 H 2.072 0.007 . 130 14 14 GLU HG2 H 2.054 0.009 . 131 14 14 GLU HG3 H 2.376 0.002 . 132 14 14 GLU C C 179.282 0.002 . 133 14 14 GLU CA C 59.246 0.085 . 134 14 14 GLU CB C 29.537 0.121 . 135 14 14 GLU CG C 36.330 0.051 . 136 14 14 GLU N N 121.291 0.001 . 137 15 15 ILE H H 7.726 0.004 . 138 15 15 ILE HA H 3.862 0.004 . 139 15 15 ILE HB H 2.198 0.006 . 140 15 15 ILE HG12 H 1.771 0.004 . 141 15 15 ILE HG13 H 1.288 0.008 . 142 15 15 ILE HG2 H 1.010 0.002 . 143 15 15 ILE HD1 H 0.742 0.002 . 144 15 15 ILE C C 178.803 0.030 . 145 15 15 ILE CA C 62.458 0.106 . 146 15 15 ILE CB C 36.362 0.101 . 147 15 15 ILE CG1 C 29.794 0.065 . 148 15 15 ILE CG2 C 19.939 0.049 . 149 15 15 ILE CD1 C 10.808 0.072 . 150 15 15 ILE N N 119.944 0.021 . 151 16 16 GLU H H 8.716 0.004 . 152 16 16 GLU HA H 3.775 0.003 . 153 16 16 GLU HB2 H 1.905 0.002 . 154 16 16 GLU HB3 H 2.254 0.006 . 155 16 16 GLU HG2 H 2.464 0.004 . 156 16 16 GLU HG3 H 2.211 0.007 . 157 16 16 GLU C C 177.901 0.004 . 158 16 16 GLU CA C 58.961 0.094 . 159 16 16 GLU CB C 30.010 0.061 . 160 16 16 GLU CG C 37.794 0.057 . 161 16 16 GLU N N 119.942 0.014 . 162 17 17 GLY H H 7.426 0.003 . 163 17 17 GLY HA2 H 4.260 0.004 . 164 17 17 GLY HA3 H 3.772 0.007 . 165 17 17 GLY C C 174.474 0.000 . 166 17 17 GLY CA C 45.049 0.054 . 167 17 17 GLY N N 103.360 0.024 . 168 18 18 LEU H H 7.394 0.002 . 169 18 18 LEU HA H 4.448 0.007 . 170 18 18 LEU HB2 H 1.418 0.005 . 171 18 18 LEU HB3 H 1.994 0.006 . 172 18 18 LEU HG H 2.226 0.002 . 173 18 18 LEU HD1 H 0.845 0.003 . 174 18 18 LEU HD2 H 0.872 0.006 . 175 18 18 LEU C C 177.259 0.009 . 176 18 18 LEU CA C 55.319 0.103 . 177 18 18 LEU CB C 42.662 0.058 . 178 18 18 LEU CG C 25.973 0.149 . 179 18 18 LEU CD1 C 22.475 0.054 . 180 18 18 LEU CD2 C 26.767 0.054 . 181 18 18 LEU N N 121.142 0.009 . 182 19 19 GLN H H 9.181 0.003 . 183 19 19 GLN HA H 4.588 0.003 . 184 19 19 GLN HB2 H 2.468 0.004 . 185 19 19 GLN HB3 H 2.073 0.006 . 186 19 19 GLN HG2 H 2.541 0.001 . 187 19 19 GLN HG3 H 2.480 0.007 . 188 19 19 GLN HE21 H 7.539 0.002 . 189 19 19 GLN HE22 H 6.899 0.001 . 190 19 19 GLN C C 177.370 0.007 . 191 19 19 GLN CA C 54.222 0.094 . 192 19 19 GLN CB C 30.214 0.054 . 193 19 19 GLN CG C 34.300 0.079 . 194 19 19 GLN N N 121.433 0.009 . 195 19 19 GLN NE2 N 113.730 0.002 . 196 20 20 ASP H H 8.861 0.001 . 197 20 20 ASP HA H 4.448 0.007 . 198 20 20 ASP HB2 H 2.723 0.004 . 199 20 20 ASP HB3 H 2.723 0.004 . 200 20 20 ASP C C 178.332 0.017 . 201 20 20 ASP CA C 58.937 0.155 . 202 20 20 ASP CB C 40.508 0.062 . 203 20 20 ASP N N 122.285 0.004 . 204 21 21 ASP H H 8.857 0.003 . 205 21 21 ASP HA H 4.256 0.005 . 206 21 21 ASP HB2 H 2.518 0.010 . 207 21 21 ASP HB3 H 2.606 0.004 . 208 21 21 ASP C C 178.971 0.005 . 209 21 21 ASP CA C 57.375 0.131 . 210 21 21 ASP CB C 39.789 0.058 . 211 21 21 ASP N N 117.147 0.019 . 212 22 22 ASP H H 7.385 0.003 . 213 22 22 ASP HA H 4.470 0.003 . 214 22 22 ASP HB2 H 2.891 0.002 . 215 22 22 ASP HB3 H 2.747 0.006 . 216 22 22 ASP C C 179.039 0.014 . 217 22 22 ASP CA C 56.824 0.148 . 218 22 22 ASP CB C 42.326 0.065 . 219 22 22 ASP N N 119.462 0.006 . 220 23 23 LEU H H 8.148 0.003 . 221 23 23 LEU HA H 3.978 0.003 . 222 23 23 LEU HB2 H 1.991 0.005 . 223 23 23 LEU HB3 H 1.467 0.004 . 224 23 23 LEU HG H 1.667 0.006 . 225 23 23 LEU HD1 H 0.817 0.001 . 226 23 23 LEU HD2 H 0.914 0.007 . 227 23 23 LEU C C 178.054 0.013 . 228 23 23 LEU CA C 57.777 0.119 . 229 23 23 LEU CB C 42.320 0.075 . 230 23 23 LEU CG C 26.786 0.095 . 231 23 23 LEU CD1 C 24.805 0.048 . 232 23 23 LEU CD2 C 26.162 0.076 . 233 23 23 LEU N N 121.195 0.007 . 234 24 24 ALA H H 8.243 0.002 . 235 24 24 ALA HA H 3.498 0.003 . 236 24 24 ALA HB H 0.871 0.002 . 237 24 24 ALA C C 180.228 0.008 . 238 24 24 ALA CA C 55.461 0.131 . 239 24 24 ALA CB C 17.285 0.062 . 240 24 24 ALA N N 122.032 0.011 . 241 25 25 ALA H H 7.306 0.002 . 242 25 25 ALA HA H 4.083 0.006 . 243 25 25 ALA HB H 1.466 0.006 . 244 25 25 ALA C C 179.567 0.003 . 245 25 25 ALA CA C 54.481 0.089 . 246 25 25 ALA CB C 18.118 0.090 . 247 25 25 ALA N N 119.329 0.010 . 248 26 26 LEU H H 7.448 0.002 . 249 26 26 LEU HA H 4.147 0.005 . 250 26 26 LEU HB2 H 1.801 0.001 . 251 26 26 LEU HB3 H 1.539 0.006 . 252 26 26 LEU HG H 1.674 0.004 . 253 26 26 LEU HD1 H 0.873 0.001 . 254 26 26 LEU HD2 H 0.877 0.003 . 255 26 26 LEU C C 178.328 0.007 . 256 26 26 LEU CA C 57.190 0.095 . 257 26 26 LEU CB C 43.600 0.027 . 258 26 26 LEU CG C 26.928 0.055 . 259 26 26 LEU CD1 C 24.264 0.107 . 260 26 26 LEU CD2 C 25.075 0.077 . 261 26 26 LEU N N 117.944 0.004 . 262 27 27 LEU H H 8.084 0.007 . 263 27 27 LEU HA H 4.236 0.011 . 264 27 27 LEU HB2 H 1.763 0.002 . 265 27 27 LEU HB3 H 1.393 0.009 . 266 27 27 LEU HG H 1.828 0.016 . 267 27 27 LEU HD1 H 0.783 0.005 . 268 27 27 LEU HD2 H 1.041 0.004 . 269 27 27 LEU C C 177.814 0.013 . 270 27 27 LEU CA C 55.121 0.065 . 271 27 27 LEU CB C 43.038 0.039 . 272 27 27 LEU CG C 27.236 0.056 . 273 27 27 LEU CD1 C 23.186 0.048 . 274 27 27 LEU CD2 C 26.407 0.061 . 275 27 27 LEU N N 115.234 0.000 . 276 28 28 GLY H H 7.716 0.003 . 277 28 28 GLY HA2 H 3.749 0.015 . 278 28 28 GLY HA3 H 3.749 0.015 . 279 28 28 GLY C C 176.260 0.023 . 280 28 28 GLY CA C 46.476 0.077 . 281 28 28 GLY N N 107.668 0.010 . 282 29 29 LYS H H 8.808 0.003 . 283 29 29 LYS HA H 4.204 0.003 . 284 29 29 LYS HB2 H 1.895 0.002 . 285 29 29 LYS HB3 H 1.809 0.003 . 286 29 29 LYS HG2 H 1.484 0.005 . 287 29 29 LYS HG3 H 1.353 0.003 . 288 29 29 LYS HD2 H 1.666 0.004 . 289 29 29 LYS HD3 H 1.666 0.004 . 290 29 29 LYS HE2 H 2.995 0.001 . 291 29 29 LYS HE3 H 2.995 0.001 . 292 29 29 LYS C C 176.910 0.016 . 293 29 29 LYS CA C 57.891 0.037 . 294 29 29 LYS CB C 32.226 0.028 . 295 29 29 LYS CG C 24.282 0.055 . 296 29 29 LYS CD C 29.400 0.071 . 297 29 29 LYS CE C 42.101 0.060 . 298 29 29 LYS N N 124.948 0.009 . 299 30 30 GLU H H 8.079 0.002 . 300 30 30 GLU HA H 4.480 0.003 . 301 30 30 GLU HB2 H 2.106 0.001 . 302 30 30 GLU HB3 H 1.757 0.007 . 303 30 30 GLU HG2 H 2.197 0.006 . 304 30 30 GLU HG3 H 2.197 0.006 . 305 30 30 GLU C C 176.135 0.012 . 306 30 30 GLU CA C 55.484 0.073 . 307 30 30 GLU CB C 28.617 0.076 . 308 30 30 GLU CG C 35.382 0.051 . 309 30 30 GLU N N 117.198 0.011 . 310 31 31 PHE H H 7.482 0.003 . 311 31 31 PHE HA H 4.135 0.005 . 312 31 31 PHE HB2 H 3.000 0.015 . 313 31 31 PHE HB3 H 2.978 0.002 . 314 31 31 PHE HD1 H 6.951 0.004 . 315 31 31 PHE HD2 H 6.951 0.004 . 316 31 31 PHE HE1 H 7.204 0.004 . 317 31 31 PHE HE2 H 7.204 0.004 . 318 31 31 PHE HZ H 7.188 0.004 . 319 31 31 PHE C C 175.020 0.000 . 320 31 31 PHE CA C 58.782 0.150 . 321 31 31 PHE CB C 39.831 0.029 . 322 31 31 PHE CD1 C 131.388 0.057 . 323 31 31 PHE CE1 C 131.794 0.121 . 324 31 31 PHE CZ C 129.810 0.001 . 325 31 31 PHE N N 119.069 0.012 . 326 32 32 ILE H H 8.677 0.004 . 327 32 32 ILE HA H 3.887 0.002 . 328 32 32 ILE HB H 1.645 0.007 . 329 32 32 ILE HG12 H 1.617 0.012 . 330 32 32 ILE HG13 H 1.039 0.002 . 331 32 32 ILE HG2 H 0.756 0.007 . 332 32 32 ILE HD1 H 0.803 0.002 . 333 32 32 ILE C C 175.607 0.011 . 334 32 32 ILE CA C 61.330 0.132 . 335 32 32 ILE CB C 38.222 0.098 . 336 32 32 ILE CG1 C 27.449 0.060 . 337 32 32 ILE CG2 C 17.463 0.069 . 338 32 32 ILE CD1 C 13.578 0.062 . 339 32 32 ILE N N 128.993 0.000 . 340 33 33 ARG H H 8.305 0.004 . 341 33 33 ARG HA H 4.206 0.003 . 342 33 33 ARG HB2 H 1.706 0.001 . 343 33 33 ARG HB3 H 1.805 0.004 . 344 33 33 ARG HG2 H 1.635 0.007 . 345 33 33 ARG HG3 H 1.635 0.007 . 346 33 33 ARG HD2 H 3.212 0.005 . 347 33 33 ARG HD3 H 3.212 0.005 . 348 33 33 ARG HE H 7.322 0.002 . 349 33 33 ARG C C 176.192 0.007 . 350 33 33 ARG CA C 55.633 0.098 . 351 33 33 ARG CB C 31.168 0.073 . 352 33 33 ARG CG C 27.467 0.042 . 353 33 33 ARG CD C 43.465 0.080 . 354 33 33 ARG N N 126.677 0.004 . 355 33 33 ARG NE N 84.653 0.057 . 356 34 34 GLU H H 8.621 0.002 . 357 34 34 GLU HA H 4.245 0.005 . 358 34 34 GLU HB2 H 2.033 0.003 . 359 34 34 GLU HB3 H 1.958 0.002 . 360 34 34 GLU HG2 H 2.248 0.003 . 361 34 34 GLU HG3 H 2.248 0.003 . 362 34 34 GLU C C 177.265 0.008 . 363 34 34 GLU CA C 57.175 0.126 . 364 34 34 GLU CB C 30.075 0.058 . 365 34 34 GLU CG C 36.233 0.062 . 366 34 34 GLU N N 123.820 0.003 . 367 35 35 GLY H H 8.620 0.002 . 368 35 35 GLY HA2 H 3.999 0.000 . 369 35 35 GLY HA3 H 3.999 0.000 . 370 35 35 GLY C C 174.960 0.000 . 371 35 35 GLY CA C 45.525 0.000 . 372 35 35 GLY N N 111.154 0.021 . 373 37 37 GLY H H 8.357 0.002 . 374 37 37 GLY HA2 H 3.993 0.000 . 375 37 37 GLY HA3 H 3.993 0.000 . 376 37 37 GLY N N 108.819 0.006 . 377 38 38 SER H H 8.401 0.003 . 378 38 38 SER HA H 4.516 0.000 . 379 38 38 SER N N 115.689 0.012 . 380 39 39 GLY H H 8.562 0.009 . 381 39 39 GLY HA2 H 4.004 0.000 . 382 39 39 GLY HA3 H 4.004 0.000 . 383 39 39 GLY N N 110.982 0.001 . 384 40 40 GLY H H 8.299 0.002 . 385 40 40 GLY HA2 H 3.983 0.000 . 386 40 40 GLY HA3 H 3.983 0.000 . 387 40 40 GLY N N 108.621 0.006 . 388 46 46 SER H H 8.308 0.002 . 389 46 46 SER HA H 4.427 0.013 . 390 46 46 SER HB2 H 3.764 0.002 . 391 46 46 SER HB3 H 3.764 0.002 . 392 46 46 SER C C 174.789 0.000 . 393 46 46 SER CA C 58.513 0.093 . 394 46 46 SER CB C 63.883 0.060 . 395 46 46 SER N N 115.657 0.014 . 396 47 47 MET H H 8.449 0.002 . 397 47 47 MET HA H 4.478 0.003 . 398 47 47 MET HB2 H 1.995 0.004 . 399 47 47 MET HB3 H 2.094 0.004 . 400 47 47 MET HG2 H 2.585 0.009 . 401 47 47 MET HG3 H 2.510 0.003 . 402 47 47 MET HE H 2.081 0.000 . 403 47 47 MET C C 175.934 0.003 . 404 47 47 MET CA C 55.690 0.095 . 405 47 47 MET CB C 32.670 0.052 . 406 47 47 MET CG C 32.052 0.011 . 407 47 47 MET CE C 16.952 0.000 . 408 47 47 MET N N 121.766 0.006 . 409 48 48 ASN H H 8.378 0.002 . 410 48 48 ASN HA H 4.675 0.007 . 411 48 48 ASN HB2 H 2.691 0.003 . 412 48 48 ASN HB3 H 2.770 0.006 . 413 48 48 ASN HD21 H 7.591 0.001 . 414 48 48 ASN HD22 H 6.925 0.001 . 415 48 48 ASN C C 174.645 0.002 . 416 48 48 ASN CA C 53.212 0.122 . 417 48 48 ASN CB C 38.904 0.035 . 418 48 48 ASN N N 119.711 0.002 . 419 48 48 ASN ND2 N 113.021 0.003 . 420 49 49 LYS H H 8.241 0.002 . 421 49 49 LYS HA H 4.604 0.003 . 422 49 49 LYS HB2 H 1.812 0.001 . 423 49 49 LYS HB3 H 1.712 0.001 . 424 49 49 LYS HG2 H 1.444 0.002 . 425 49 49 LYS HG3 H 1.444 0.002 . 426 49 49 LYS HD2 H 1.685 0.003 . 427 49 49 LYS HD3 H 1.685 0.003 . 428 49 49 LYS HE2 H 2.995 0.001 . 429 49 49 LYS HE3 H 2.995 0.001 . 430 49 49 LYS C C 174.429 0.000 . 431 49 49 LYS CA C 54.276 0.085 . 432 49 49 LYS CB C 32.605 0.027 . 433 49 49 LYS CG C 24.563 0.055 . 434 49 49 LYS CD C 29.228 0.059 . 435 49 49 LYS CE C 42.203 0.003 . 436 49 49 LYS N N 122.854 0.003 . 437 50 50 PRO HA H 4.527 0.001 . 438 50 50 PRO HB2 H 1.939 0.003 . 439 50 50 PRO HB3 H 2.322 0.006 . 440 50 50 PRO HG2 H 2.017 0.006 . 441 50 50 PRO HG3 H 2.017 0.006 . 442 50 50 PRO HD2 H 3.803 0.003 . 443 50 50 PRO HD3 H 3.646 0.002 . 444 50 50 PRO C C 177.207 0.003 . 445 50 50 PRO CA C 63.274 0.117 . 446 50 50 PRO CB C 32.263 0.065 . 447 50 50 PRO CG C 27.429 0.023 . 448 50 50 PRO CD C 50.699 0.038 . 449 51 51 THR H H 8.391 0.002 . 450 51 51 THR HA H 4.393 0.003 . 451 51 51 THR HB H 4.282 0.004 . 452 51 51 THR HG2 H 1.238 0.001 . 453 51 51 THR C C 174.869 0.008 . 454 51 51 THR CA C 61.833 0.146 . 455 51 51 THR CB C 70.289 0.166 . 456 51 51 THR CG2 C 21.677 0.000 . 457 51 51 THR N N 114.254 0.002 . 458 52 52 SER H H 8.416 0.002 . 459 52 52 SER HA H 4.526 0.003 . 460 52 52 SER HB2 H 3.880 0.009 . 461 52 52 SER HB3 H 3.880 0.009 . 462 52 52 SER C C 174.891 0.007 . 463 52 52 SER CA C 58.500 0.112 . 464 52 52 SER CB C 64.028 0.074 . 465 52 52 SER N N 117.776 0.003 . 466 53 53 SER H H 8.530 0.001 . 467 53 53 SER HA H 4.521 0.007 . 468 53 53 SER HB2 H 3.892 0.003 . 469 53 53 SER HB3 H 3.892 0.003 . 470 53 53 SER C C 174.434 0.023 . 471 53 53 SER CA C 58.898 0.131 . 472 53 53 SER CB C 63.845 0.117 . 473 53 53 SER N N 117.867 0.007 . 474 54 54 ASP H H 8.320 0.001 . 475 54 54 ASP HA H 4.710 0.005 . 476 54 54 ASP HB2 H 2.683 0.013 . 477 54 54 ASP HB3 H 2.621 0.002 . 478 54 54 ASP C C 176.919 0.014 . 479 54 54 ASP CA C 54.545 0.117 . 480 54 54 ASP CB C 41.297 0.037 . 481 54 54 ASP N N 121.713 0.012 . 482 55 55 GLY H H 8.411 0.002 . 483 55 55 GLY HA2 H 4.019 0.010 . 484 55 55 GLY HA3 H 4.019 0.010 . 485 55 55 GLY C C 174.988 0.016 . 486 55 55 GLY CA C 46.535 0.120 . 487 55 55 GLY N N 109.535 0.008 . 488 56 56 TRP H H 8.042 0.002 . 489 56 56 TRP HA H 4.551 0.005 . 490 56 56 TRP HB2 H 3.498 0.003 . 491 56 56 TRP HB3 H 3.170 0.005 . 492 56 56 TRP HD1 H 7.428 0.002 . 493 56 56 TRP HE1 H 10.360 0.003 . 494 56 56 TRP HE3 H 7.173 0.015 . 495 56 56 TRP HZ2 H 7.137 0.002 . 496 56 56 TRP HZ3 H 6.140 0.010 . 497 56 56 TRP HH2 H 6.752 0.009 . 498 56 56 TRP C C 177.651 0.008 . 499 56 56 TRP CA C 58.400 0.100 . 500 56 56 TRP CB C 28.953 0.048 . 501 56 56 TRP CD1 C 127.507 0.028 . 502 56 56 TRP CE3 C 121.001 0.000 . 503 56 56 TRP CZ2 C 114.218 0.011 . 504 56 56 TRP CZ3 C 120.844 0.091 . 505 56 56 TRP CH2 C 123.171 0.037 . 506 56 56 TRP N N 119.982 0.009 . 507 56 56 TRP NE1 N 130.161 0.013 . 508 57 57 LYS H H 7.256 0.002 . 509 57 57 LYS HA H 3.049 0.008 . 510 57 57 LYS HB2 H 1.255 0.005 . 511 57 57 LYS HB3 H 1.151 0.004 . 512 57 57 LYS HG2 H 0.399 0.003 . 513 57 57 LYS HG3 H 0.296 0.006 . 514 57 57 LYS HD2 H 1.403 0.004 . 515 57 57 LYS HD3 H 1.403 0.004 . 516 57 57 LYS HE2 H 2.750 0.001 . 517 57 57 LYS HE3 H 2.750 0.001 . 518 57 57 LYS C C 177.411 0.003 . 519 57 57 LYS CA C 60.413 0.114 . 520 57 57 LYS CB C 31.916 0.072 . 521 57 57 LYS CG C 24.343 0.029 . 522 57 57 LYS CD C 29.494 0.088 . 523 57 57 LYS CE C 42.096 0.061 . 524 57 57 LYS N N 122.806 0.007 . 525 58 58 ASP H H 7.752 0.002 . 526 58 58 ASP HA H 4.290 0.002 . 527 58 58 ASP HB2 H 2.668 0.008 . 528 58 58 ASP HB3 H 2.668 0.008 . 529 58 58 ASP C C 179.105 0.006 . 530 58 58 ASP CA C 57.813 0.088 . 531 58 58 ASP CB C 40.260 0.031 . 532 58 58 ASP N N 118.461 0.009 . 533 59 59 ASP H H 8.083 0.002 . 534 59 59 ASP HA H 4.394 0.006 . 535 59 59 ASP HB2 H 2.790 0.009 . 536 59 59 ASP HB3 H 2.720 0.003 . 537 59 59 ASP C C 177.919 0.004 . 538 59 59 ASP CA C 57.335 0.158 . 539 59 59 ASP CB C 41.561 0.041 . 540 59 59 ASP N N 120.360 0.011 . 541 60 60 TYR H H 8.182 0.005 . 542 60 60 TYR HA H 3.964 0.003 . 543 60 60 TYR HB2 H 2.961 0.009 . 544 60 60 TYR HB3 H 3.304 0.003 . 545 60 60 TYR HD1 H 7.050 0.003 . 546 60 60 TYR HD2 H 7.050 0.003 . 547 60 60 TYR HE1 H 6.694 0.002 . 548 60 60 TYR HE2 H 6.694 0.002 . 549 60 60 TYR C C 178.407 0.000 . 550 60 60 TYR CA C 62.870 0.120 . 551 60 60 TYR CB C 40.319 0.041 . 552 60 60 TYR CD1 C 132.985 0.032 . 553 60 60 TYR CE1 C 117.703 0.029 . 554 60 60 TYR N N 122.423 0.000 . 555 61 61 LEU H H 8.862 0.004 . 556 61 61 LEU HA H 3.972 0.004 . 557 61 61 LEU HB2 H 1.959 0.005 . 558 61 61 LEU HB3 H 1.470 0.004 . 559 61 61 LEU HG H 1.792 0.002 . 560 61 61 LEU HD1 H 0.940 0.003 . 561 61 61 LEU HD2 H 0.967 0.002 . 562 61 61 LEU C C 178.861 0.000 . 563 61 61 LEU CA C 58.141 0.030 . 564 61 61 LEU CB C 42.296 0.088 . 565 61 61 LEU CG C 27.573 0.040 . 566 61 61 LEU CD1 C 25.034 0.052 . 567 61 61 LEU CD2 C 25.630 0.031 . 568 61 61 LEU N N 117.087 0.033 . 569 62 62 SER H H 7.938 0.003 . 570 62 62 SER HA H 4.108 0.002 . 571 62 62 SER HB2 H 4.018 0.005 . 572 62 62 SER HB3 H 4.018 0.005 . 573 62 62 SER C C 177.850 0.000 . 574 62 62 SER CA C 61.724 0.141 . 575 62 62 SER CB C 62.899 0.087 . 576 62 62 SER N N 114.102 0.016 . 577 63 63 ARG H H 7.570 0.003 . 578 63 63 ARG HA H 3.997 0.008 . 579 63 63 ARG HB2 H 1.920 0.007 . 580 63 63 ARG HB3 H 1.808 0.006 . 581 63 63 ARG HG2 H 1.647 0.006 . 582 63 63 ARG HG3 H 1.857 0.000 . 583 63 63 ARG HD2 H 3.233 0.005 . 584 63 63 ARG HD3 H 2.946 0.001 . 585 63 63 ARG HE H 7.344 0.000 . 586 63 63 ARG C C 180.478 0.003 . 587 63 63 ARG CA C 59.174 0.080 . 588 63 63 ARG CB C 31.622 0.054 . 589 63 63 ARG CG C 26.953 0.069 . 590 63 63 ARG CD C 44.273 0.079 . 591 63 63 ARG N N 120.783 0.014 . 592 63 63 ARG NE N 85.030 0.000 . 593 64 64 LEU H H 8.676 0.003 . 594 64 64 LEU HA H 3.805 0.004 . 595 64 64 LEU HB2 H 2.145 0.015 . 596 64 64 LEU HB3 H 1.201 0.003 . 597 64 64 LEU HG H 1.820 0.008 . 598 64 64 LEU HD1 H 0.575 0.005 . 599 64 64 LEU HD2 H 0.925 0.008 . 600 64 64 LEU C C 179.130 0.007 . 601 64 64 LEU CA C 57.946 0.064 . 602 64 64 LEU CB C 42.178 0.134 . 603 64 64 LEU CG C 25.782 0.125 . 604 64 64 LEU CD1 C 24.050 0.049 . 605 64 64 LEU CD2 C 27.428 0.067 . 606 64 64 LEU N N 120.900 0.003 . 607 65 65 SER H H 8.025 0.002 . 608 65 65 SER HA H 4.358 0.018 . 609 65 65 SER HB2 H 4.083 0.002 . 610 65 65 SER HB3 H 3.979 0.001 . 611 65 65 SER C C 175.924 0.000 . 612 65 65 SER CA C 61.166 0.126 . 613 65 65 SER CB C 63.528 0.034 . 614 65 65 SER N N 110.678 0.010 . 615 66 66 ARG H H 7.121 0.002 . 616 66 66 ARG HA H 4.395 0.004 . 617 66 66 ARG HB2 H 1.693 0.012 . 618 66 66 ARG HB3 H 2.125 0.003 . 619 66 66 ARG HG2 H 1.835 0.008 . 620 66 66 ARG HG3 H 1.655 0.014 . 621 66 66 ARG HD2 H 3.252 0.003 . 622 66 66 ARG HD3 H 3.205 0.000 . 623 66 66 ARG HE H 7.213 0.002 . 624 66 66 ARG C C 176.662 0.010 . 625 66 66 ARG CA C 55.991 0.088 . 626 66 66 ARG CB C 30.881 0.106 . 627 66 66 ARG CG C 27.694 0.114 . 628 66 66 ARG CD C 43.524 0.062 . 629 66 66 ARG N N 119.628 0.006 . 630 66 66 ARG NE N 84.849 0.018 . 631 67 67 LEU H H 7.498 0.004 . 632 67 67 LEU HA H 4.488 0.005 . 633 67 67 LEU HB2 H 1.502 0.001 . 634 67 67 LEU HB3 H 2.022 0.013 . 635 67 67 LEU HG H 2.090 0.003 . 636 67 67 LEU HD1 H 0.739 0.008 . 637 67 67 LEU HD2 H 0.734 0.002 . 638 67 67 LEU C C 176.986 0.006 . 639 67 67 LEU CA C 54.230 0.071 . 640 67 67 LEU CB C 42.207 0.077 . 641 67 67 LEU CG C 26.146 0.088 . 642 67 67 LEU CD1 C 22.579 0.058 . 643 67 67 LEU CD2 C 26.372 0.094 . 644 67 67 LEU N N 120.173 0.003 . 645 68 68 SER H H 9.213 0.002 . 646 68 68 SER HA H 4.537 0.005 . 647 68 68 SER HB2 H 4.058 0.002 . 648 68 68 SER HB3 H 4.491 0.011 . 649 68 68 SER C C 175.379 0.003 . 650 68 68 SER CA C 56.588 0.124 . 651 68 68 SER CB C 65.692 0.057 . 652 68 68 SER N N 116.230 0.012 . 653 69 69 LYS H H 9.050 0.001 . 654 69 69 LYS HA H 3.896 0.007 . 655 69 69 LYS HB2 H 1.781 0.015 . 656 69 69 LYS HB3 H 1.826 0.002 . 657 69 69 LYS HG2 H 1.195 0.004 . 658 69 69 LYS HG3 H 1.402 0.007 . 659 69 69 LYS HD2 H 1.664 0.002 . 660 69 69 LYS HD3 H 1.713 0.001 . 661 69 69 LYS HE2 H 3.014 0.009 . 662 69 69 LYS HE3 H 3.014 0.009 . 663 69 69 LYS C C 178.050 0.018 . 664 69 69 LYS CA C 61.756 0.156 . 665 69 69 LYS CB C 31.708 0.103 . 666 69 69 LYS CG C 26.345 0.067 . 667 69 69 LYS CD C 30.063 0.111 . 668 69 69 LYS CE C 42.470 0.061 . 669 69 69 LYS N N 121.056 0.004 . 670 70 70 ASN H H 8.578 0.003 . 671 70 70 ASN HA H 4.512 0.007 . 672 70 70 ASN HB2 H 2.369 0.003 . 673 70 70 ASN HB3 H 2.662 0.007 . 674 70 70 ASN HD21 H 7.405 0.003 . 675 70 70 ASN HD22 H 6.761 0.001 . 676 70 70 ASN C C 177.932 0.021 . 677 70 70 ASN CA C 56.236 0.085 . 678 70 70 ASN CB C 38.753 0.057 . 679 70 70 ASN N N 116.482 0.000 . 680 70 70 ASN ND2 N 111.971 0.001 . 681 71 71 GLN H H 7.936 0.004 . 682 71 71 GLN HA H 3.755 0.004 . 683 71 71 GLN HB2 H 1.763 0.004 . 684 71 71 GLN HB3 H 2.630 0.014 . 685 71 71 GLN HG2 H 2.195 0.007 . 686 71 71 GLN HG3 H 2.481 0.003 . 687 71 71 GLN HE21 H 7.593 0.004 . 688 71 71 GLN HE22 H 7.318 0.002 . 689 71 71 GLN C C 177.934 0.003 . 690 71 71 GLN CA C 59.694 0.062 . 691 71 71 GLN CB C 30.780 0.066 . 692 71 71 GLN CG C 36.691 0.060 . 693 71 71 GLN N N 118.295 0.008 . 694 71 71 GLN NE2 N 115.053 0.004 . 695 72 72 LEU H H 8.689 0.012 . 696 72 72 LEU HA H 3.917 0.009 . 697 72 72 LEU HB2 H 1.371 0.009 . 698 72 72 LEU HB3 H 2.074 0.008 . 699 72 72 LEU HG H 1.755 0.000 . 700 72 72 LEU HD1 H 0.868 0.011 . 701 72 72 LEU HD2 H 0.856 0.004 . 702 72 72 LEU C C 179.406 0.006 . 703 72 72 LEU CA C 58.364 0.108 . 704 72 72 LEU CB C 43.537 0.102 . 705 72 72 LEU CD1 C 25.038 0.073 . 706 72 72 LEU CD2 C 26.579 0.086 . 707 72 72 LEU N N 119.869 0.042 . 708 73 73 MET H H 8.653 0.001 . 709 73 73 MET HA H 3.928 0.004 . 710 73 73 MET HB2 H 1.805 0.004 . 711 73 73 MET HB3 H 2.484 0.008 . 712 73 73 MET HG2 H 2.903 0.002 . 713 73 73 MET HG3 H 2.092 0.003 . 714 73 73 MET HE H 2.122 0.007 . 715 73 73 MET C C 177.108 0.004 . 716 73 73 MET CA C 60.699 0.120 . 717 73 73 MET CB C 34.653 0.058 . 718 73 73 MET CG C 32.263 0.033 . 719 73 73 MET CE C 16.483 0.000 . 720 73 73 MET N N 118.903 0.001 . 721 74 74 ALA H H 7.920 0.003 . 722 74 74 ALA HA H 3.906 0.002 . 723 74 74 ALA HB H 1.424 0.007 . 724 74 74 ALA C C 179.302 0.009 . 725 74 74 ALA CA C 55.246 0.106 . 726 74 74 ALA CB C 18.561 0.061 . 727 74 74 ALA N N 119.392 0.001 . 728 75 75 LEU H H 8.606 0.003 . 729 75 75 LEU HA H 3.947 0.004 . 730 75 75 LEU HB2 H 1.572 0.008 . 731 75 75 LEU HB3 H 1.572 0.008 . 732 75 75 LEU HG H 1.463 0.011 . 733 75 75 LEU HD1 H 0.436 0.004 . 734 75 75 LEU HD2 H 0.641 0.004 . 735 75 75 LEU C C 177.476 0.032 . 736 75 75 LEU CA C 57.995 0.085 . 737 75 75 LEU CB C 42.158 0.116 . 738 75 75 LEU CG C 27.265 0.072 . 739 75 75 LEU CD1 C 25.265 0.043 . 740 75 75 LEU CD2 C 24.826 0.002 . 741 75 75 LEU N N 119.692 0.097 . 742 76 76 ALA H H 8.292 0.005 . 743 76 76 ALA HA H 3.959 0.007 . 744 76 76 ALA HB H 1.576 0.003 . 745 76 76 ALA C C 179.055 0.009 . 746 76 76 ALA CA C 55.945 0.082 . 747 76 76 ALA CB C 17.954 0.077 . 748 76 76 ALA N N 120.747 0.000 . 749 77 77 LEU H H 8.070 0.002 . 750 77 77 LEU HA H 4.115 0.005 . 751 77 77 LEU HB2 H 1.894 0.002 . 752 77 77 LEU HB3 H 1.676 0.011 . 753 77 77 LEU HG H 1.723 0.001 . 754 77 77 LEU HD1 H 0.892 0.001 . 755 77 77 LEU HD2 H 0.889 0.002 . 756 77 77 LEU C C 178.455 0.017 . 757 77 77 LEU CA C 58.631 0.085 . 758 77 77 LEU CB C 42.370 0.060 . 759 77 77 LEU CG C 26.648 0.161 . 760 77 77 LEU CD1 C 25.553 0.035 . 761 77 77 LEU CD2 C 24.747 0.074 . 762 77 77 LEU N N 116.297 0.008 . 763 78 78 LYS H H 8.177 0.003 . 764 78 78 LYS HA H 4.126 0.009 . 765 78 78 LYS HB2 H 1.981 0.005 . 766 78 78 LYS HB3 H 2.081 0.003 . 767 78 78 LYS HG2 H 1.538 0.013 . 768 78 78 LYS HG3 H 1.440 0.008 . 769 78 78 LYS HD2 H 1.695 0.001 . 770 78 78 LYS HD3 H 1.654 0.004 . 771 78 78 LYS HE2 H 2.911 0.007 . 772 78 78 LYS HE3 H 2.911 0.007 . 773 78 78 LYS C C 179.686 0.025 . 774 78 78 LYS CA C 59.259 0.072 . 775 78 78 LYS CB C 32.249 0.078 . 776 78 78 LYS CG C 24.815 0.027 . 777 78 78 LYS CD C 29.235 0.040 . 778 78 78 LYS CE C 41.871 0.052 . 779 78 78 LYS N N 119.294 0.002 . 780 79 79 LEU H H 8.706 0.004 . 781 79 79 LEU HA H 4.058 0.009 . 782 79 79 LEU HB2 H 1.262 0.003 . 783 79 79 LEU HB3 H 2.076 0.011 . 784 79 79 LEU HG H 1.813 0.016 . 785 79 79 LEU HD1 H 0.794 0.002 . 786 79 79 LEU HD2 H 1.023 0.004 . 787 79 79 LEU C C 180.030 0.019 . 788 79 79 LEU CA C 57.980 0.103 . 789 79 79 LEU CB C 43.550 0.101 . 790 79 79 LEU CG C 27.626 0.044 . 791 79 79 LEU CD1 C 23.456 0.057 . 792 79 79 LEU CD2 C 27.060 0.075 . 793 79 79 LEU N N 118.605 0.004 . 794 80 80 LYS H H 8.722 0.002 . 795 80 80 LYS HA H 4.059 0.011 . 796 80 80 LYS C C 178.093 0.013 . 797 80 80 LYS CA C 57.731 0.134 . 798 80 80 LYS CB C 30.562 0.003 . 799 80 80 LYS CE C 43.518 0.000 . 800 80 80 LYS N N 121.631 0.005 . 801 81 81 GLN H H 8.848 0.002 . 802 81 81 GLN HA H 3.900 0.005 . 803 81 81 GLN HB2 H 2.469 0.002 . 804 81 81 GLN HB3 H 2.262 0.004 . 805 81 81 GLN HG2 H 2.479 0.002 . 806 81 81 GLN HG3 H 2.610 0.003 . 807 81 81 GLN HE21 H 7.620 0.002 . 808 81 81 GLN HE22 H 6.857 0.001 . 809 81 81 GLN C C 178.508 0.019 . 810 81 81 GLN CA C 59.652 0.053 . 811 81 81 GLN CB C 28.478 0.079 . 812 81 81 GLN CG C 34.360 0.067 . 813 81 81 GLN N N 118.782 0.007 . 814 81 81 GLN NE2 N 111.161 0.009 . 815 82 82 GLN H H 7.935 0.002 . 816 82 82 GLN HA H 4.097 0.006 . 817 82 82 GLN HB2 H 2.153 0.014 . 818 82 82 GLN HB3 H 2.217 0.022 . 819 82 82 GLN HG2 H 2.436 0.003 . 820 82 82 GLN HG3 H 2.617 0.003 . 821 82 82 GLN HE21 H 7.213 0.032 . 822 82 82 GLN HE22 H 7.329 0.028 . 823 82 82 GLN C C 178.243 0.015 . 824 82 82 GLN CA C 58.669 0.147 . 825 82 82 GLN CB C 28.578 0.101 . 826 82 82 GLN CG C 34.447 0.066 . 827 82 82 GLN N N 117.095 0.000 . 828 82 82 GLN NE2 N 110.523 0.008 . 829 83 83 GLN H H 7.624 0.002 . 830 83 83 GLN HA H 4.060 0.003 . 831 83 83 GLN HB2 H 2.162 0.007 . 832 83 83 GLN HB3 H 2.267 0.007 . 833 83 83 GLN HG2 H 2.183 0.006 . 834 83 83 GLN HG3 H 2.538 0.083 . 835 83 83 GLN HE21 H 7.679 0.002 . 836 83 83 GLN HE22 H 7.005 0.001 . 837 83 83 GLN C C 178.380 0.019 . 838 83 83 GLN CA C 58.345 0.093 . 839 83 83 GLN CB C 29.155 0.084 . 840 83 83 GLN CG C 33.926 0.072 . 841 83 83 GLN N N 118.825 0.002 . 842 83 83 GLN NE2 N 111.633 0.004 . 843 84 84 LEU H H 7.733 0.006 . 844 84 84 LEU HA H 4.078 0.005 . 845 84 84 LEU HB2 H 1.636 0.004 . 846 84 84 LEU HB3 H 1.387 0.007 . 847 84 84 LEU HG H 1.464 0.004 . 848 84 84 LEU HD1 H 0.499 0.002 . 849 84 84 LEU HD2 H 0.045 0.004 . 850 84 84 LEU C C 178.508 0.032 . 851 84 84 LEU CA C 56.212 0.032 . 852 84 84 LEU CB C 42.107 0.061 . 853 84 84 LEU CG C 26.459 0.136 . 854 84 84 LEU CD1 C 22.585 0.051 . 855 84 84 LEU CD2 C 24.790 0.064 . 856 84 84 LEU N N 118.382 0.005 . 857 85 85 GLU H H 7.845 0.005 . 858 85 85 GLU HA H 4.214 0.003 . 859 85 85 GLU HB2 H 2.111 0.000 . 860 85 85 GLU HB3 H 2.030 0.001 . 861 85 85 GLU HG2 H 2.437 0.001 . 862 85 85 GLU HG3 H 2.300 0.012 . 863 85 85 GLU C C 176.827 0.013 . 864 85 85 GLU CA C 57.214 0.082 . 865 85 85 GLU CB C 29.864 0.048 . 866 85 85 GLU CG C 36.522 0.038 . 867 85 85 GLU N N 118.644 0.005 . 868 86 86 GLN H H 7.875 0.002 . 869 86 86 GLN HA H 4.328 0.006 . 870 86 86 GLN HB2 H 2.195 0.011 . 871 86 86 GLN HB3 H 2.058 0.004 . 872 86 86 GLN HG2 H 2.440 0.002 . 873 86 86 GLN HG3 H 2.440 0.002 . 874 86 86 GLN HE21 H 7.567 0.001 . 875 86 86 GLN HE22 H 6.855 0.001 . 876 86 86 GLN C C 175.773 0.005 . 877 86 86 GLN CA C 56.213 0.088 . 878 86 86 GLN CB C 29.466 0.056 . 879 86 86 GLN CG C 33.972 0.086 . 880 86 86 GLN N N 119.465 0.006 . 881 86 86 GLN NE2 N 112.437 0.006 . 882 87 87 GLY H H 7.924 0.002 . 883 87 87 GLY HA2 H 3.761 0.000 . 884 87 87 GLY HA3 H 3.761 0.000 . 885 87 87 GLY C C 179.057 0.000 . 886 87 87 GLY CA C 46.444 0.000 . 887 87 87 GLY N N 115.487 0.003 . stop_ save_ save_assigned_chemical_shifts_1_2 _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 CBCA(CO)NH' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D H(CCO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_2 _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 1 101 1 GLY HA2 H 3.998 0.000 . 2 101 1 GLY HA3 H 3.998 0.000 . 3 102 2 PRO HA H 4.460 0.002 . 4 102 2 PRO HB2 H 2.307 0.003 . 5 102 2 PRO HB3 H 1.984 0.001 . 6 102 2 PRO HG2 H 2.029 0.002 . 7 102 2 PRO HG3 H 2.029 0.002 . 8 102 2 PRO HD2 H 3.574 0.003 . 9 102 2 PRO HD3 H 3.599 0.003 . 10 102 2 PRO C C 177.505 0.005 . 11 102 2 PRO CA C 63.579 0.102 . 12 102 2 PRO CB C 32.174 0.045 . 13 102 2 PRO CG C 27.166 0.091 . 14 102 2 PRO CD C 49.676 0.024 . 15 103 3 GLY H H 8.637 0.002 . 16 103 3 GLY HA2 H 3.950 0.005 . 17 103 3 GLY HA3 H 3.950 0.005 . 18 103 3 GLY C C 174.174 0.007 . 19 103 3 GLY CA C 45.418 0.139 . 20 103 3 GLY N N 109.906 0.020 . 21 104 4 SER H H 8.058 0.002 . 22 104 4 SER HA H 4.394 0.004 . 23 104 4 SER HB2 H 3.765 0.002 . 24 104 4 SER HB3 H 3.765 0.002 . 25 104 4 SER C C 174.041 0.066 . 26 104 4 SER CA C 58.462 0.155 . 27 104 4 SER CB C 63.851 0.068 . 28 104 4 SER N N 115.369 0.010 . 29 105 5 TYR H H 8.208 0.002 . 30 105 5 TYR HA H 4.566 0.006 . 31 105 5 TYR HB2 H 3.028 0.002 . 32 105 5 TYR HB3 H 2.924 0.003 . 33 105 5 TYR HD1 H 7.092 0.003 . 34 105 5 TYR HD2 H 7.092 0.003 . 35 105 5 TYR HE1 H 6.792 0.002 . 36 105 5 TYR HE2 H 6.792 0.002 . 37 105 5 TYR C C 174.977 0.006 . 38 105 5 TYR CA C 57.703 0.148 . 39 105 5 TYR CB C 38.773 0.021 . 40 105 5 TYR CD1 C 133.307 0.021 . 41 105 5 TYR CE1 C 118.155 0.005 . 42 105 5 TYR N N 121.995 0.019 . 43 106 6 ALA H H 8.045 0.005 . 44 106 6 ALA HA H 4.535 0.009 . 45 106 6 ALA HB H 1.286 0.001 . 46 106 6 ALA C C 174.903 0.000 . 47 106 6 ALA CA C 50.505 0.119 . 48 106 6 ALA CB C 18.503 0.011 . 49 106 6 ALA N N 127.237 0.017 . 50 107 7 PRO HA H 4.364 0.003 . 51 107 7 PRO HB2 H 2.300 0.002 . 52 107 7 PRO HB3 H 1.892 0.006 . 53 107 7 PRO HG2 H 1.969 0.011 . 54 107 7 PRO HG3 H 1.930 0.008 . 55 107 7 PRO HD2 H 3.492 0.004 . 56 107 7 PRO HD3 H 3.618 0.001 . 57 107 7 PRO C C 178.023 0.000 . 58 107 7 PRO CA C 63.098 0.071 . 59 107 7 PRO CB C 32.052 0.117 . 60 107 7 PRO CG C 27.594 0.032 . 61 107 7 PRO CD C 50.357 0.058 . 62 108 8 LEU H H 8.595 0.002 . 63 108 8 LEU HA H 4.195 0.002 . 64 108 8 LEU HB2 H 1.685 0.002 . 65 108 8 LEU HB3 H 1.529 0.011 . 66 108 8 LEU HG H 1.586 0.002 . 67 108 8 LEU HD1 H 0.689 0.001 . 68 108 8 LEU HD2 H 0.660 0.002 . 69 108 8 LEU C C 177.643 0.009 . 70 108 8 LEU CA C 56.712 0.113 . 71 108 8 LEU CB C 42.350 0.058 . 72 108 8 LEU CG C 27.214 0.054 . 73 108 8 LEU CD1 C 24.264 0.066 . 74 108 8 LEU CD2 C 25.084 0.078 . 75 108 8 LEU N N 123.046 0.017 . 76 109 9 ASP H H 8.389 0.004 . 77 109 9 ASP HA H 4.746 0.007 . 78 109 9 ASP HB2 H 2.990 0.002 . 79 109 9 ASP HB3 H 2.748 0.003 . 80 109 9 ASP C C 177.269 0.008 . 81 109 9 ASP CA C 53.844 0.187 . 82 109 9 ASP CB C 40.367 0.027 . 83 109 9 ASP N N 117.407 0.014 . 84 110 10 THR H H 7.880 0.002 . 85 110 10 THR HA H 3.932 0.003 . 86 110 10 THR HB H 4.071 0.005 . 87 110 10 THR HG2 H 1.226 0.009 . 88 110 10 THR C C 176.209 0.000 . 89 110 10 THR CA C 66.515 0.125 . 90 110 10 THR CB C 68.863 0.098 . 91 110 10 THR CG2 C 21.691 0.063 . 92 110 10 THR N N 116.010 0.033 . 93 111 11 GLU H H 8.598 0.003 . 94 111 11 GLU HA H 4.163 0.008 . 95 111 11 GLU HB2 H 1.902 0.010 . 96 111 11 GLU HB3 H 1.902 0.010 . 97 111 11 GLU HG2 H 2.304 0.008 . 98 111 11 GLU HG3 H 2.304 0.008 . 99 111 11 GLU C C 177.520 0.000 . 100 111 11 GLU CA C 59.987 0.056 . 101 111 11 GLU CB C 27.996 0.062 . 102 111 11 GLU CG C 36.358 0.010 . 103 111 11 GLU N N 119.387 0.058 . 104 112 12 LEU H H 7.563 0.002 . 105 112 12 LEU HA H 3.966 0.004 . 106 112 12 LEU HB2 H 2.152 0.014 . 107 112 12 LEU HB3 H 1.467 0.008 . 108 112 12 LEU HG H 1.579 0.002 . 109 112 12 LEU HD1 H 0.879 0.003 . 110 112 12 LEU HD2 H 0.860 0.003 . 111 112 12 LEU C C 177.711 0.000 . 112 112 12 LEU CA C 57.925 0.100 . 113 112 12 LEU CB C 42.090 0.114 . 114 112 12 LEU CG C 27.158 0.038 . 115 112 12 LEU CD1 C 28.396 0.089 . 116 112 12 LEU CD2 C 22.889 0.022 . 117 112 12 LEU N N 120.406 0.021 . 118 113 13 SER H H 8.465 0.005 . 119 113 13 SER HA H 4.381 0.014 . 120 113 13 SER HB2 H 3.838 0.004 . 121 113 13 SER HB3 H 3.897 0.009 . 122 113 13 SER C C 177.266 0.000 . 123 113 13 SER CA C 61.462 0.125 . 124 113 13 SER CB C 62.717 0.061 . 125 113 13 SER N N 114.509 0.013 . 126 114 14 GLU H H 7.660 0.002 . 127 114 14 GLU HA H 3.996 0.008 . 128 114 14 GLU HB2 H 2.148 0.001 . 129 114 14 GLU HB3 H 2.072 0.007 . 130 114 14 GLU HG2 H 2.054 0.009 . 131 114 14 GLU HG3 H 2.376 0.002 . 132 114 14 GLU C C 179.282 0.002 . 133 114 14 GLU CA C 59.246 0.085 . 134 114 14 GLU CB C 29.537 0.121 . 135 114 14 GLU CG C 36.330 0.051 . 136 114 14 GLU N N 121.291 0.001 . 137 115 15 ILE H H 7.726 0.004 . 138 115 15 ILE HA H 3.862 0.004 . 139 115 15 ILE HB H 2.198 0.006 . 140 115 15 ILE HG12 H 1.771 0.004 . 141 115 15 ILE HG13 H 1.288 0.008 . 142 115 15 ILE HG2 H 1.010 0.002 . 143 115 15 ILE HD1 H 0.742 0.002 . 144 115 15 ILE C C 178.803 0.030 . 145 115 15 ILE CA C 62.458 0.106 . 146 115 15 ILE CB C 36.362 0.101 . 147 115 15 ILE CG1 C 29.794 0.065 . 148 115 15 ILE CG2 C 19.939 0.049 . 149 115 15 ILE CD1 C 10.808 0.072 . 150 115 15 ILE N N 119.944 0.021 . 151 116 16 GLU H H 8.716 0.004 . 152 116 16 GLU HA H 3.775 0.003 . 153 116 16 GLU HB2 H 1.905 0.002 . 154 116 16 GLU HB3 H 2.254 0.006 . 155 116 16 GLU HG2 H 2.464 0.004 . 156 116 16 GLU HG3 H 2.211 0.007 . 157 116 16 GLU C C 177.901 0.004 . 158 116 16 GLU CA C 58.961 0.094 . 159 116 16 GLU CB C 30.010 0.061 . 160 116 16 GLU CG C 37.794 0.057 . 161 116 16 GLU N N 119.942 0.014 . 162 117 17 GLY H H 7.426 0.003 . 163 117 17 GLY HA2 H 4.260 0.004 . 164 117 17 GLY HA3 H 3.772 0.007 . 165 117 17 GLY C C 174.474 0.000 . 166 117 17 GLY CA C 45.049 0.054 . 167 117 17 GLY N N 103.360 0.024 . 168 118 18 LEU H H 7.394 0.002 . 169 118 18 LEU HA H 4.448 0.007 . 170 118 18 LEU HB2 H 1.418 0.005 . 171 118 18 LEU HB3 H 1.994 0.006 . 172 118 18 LEU HG H 2.226 0.002 . 173 118 18 LEU HD1 H 0.845 0.003 . 174 118 18 LEU HD2 H 0.872 0.006 . 175 118 18 LEU C C 177.259 0.009 . 176 118 18 LEU CA C 55.319 0.103 . 177 118 18 LEU CB C 42.662 0.058 . 178 118 18 LEU CG C 25.973 0.149 . 179 118 18 LEU CD1 C 22.475 0.054 . 180 118 18 LEU CD2 C 26.767 0.054 . 181 118 18 LEU N N 121.142 0.009 . 182 119 19 GLN H H 9.181 0.003 . 183 119 19 GLN HA H 4.588 0.003 . 184 119 19 GLN HB2 H 2.468 0.004 . 185 119 19 GLN HB3 H 2.073 0.006 . 186 119 19 GLN HG2 H 2.541 0.001 . 187 119 19 GLN HG3 H 2.480 0.007 . 188 119 19 GLN HE21 H 7.539 0.002 . 189 119 19 GLN HE22 H 6.899 0.001 . 190 119 19 GLN C C 177.370 0.007 . 191 119 19 GLN CA C 54.222 0.094 . 192 119 19 GLN CB C 30.214 0.054 . 193 119 19 GLN CG C 34.300 0.079 . 194 119 19 GLN N N 121.433 0.009 . 195 119 19 GLN NE2 N 113.730 0.002 . 196 120 20 ASP H H 8.861 0.001 . 197 120 20 ASP HA H 4.448 0.007 . 198 120 20 ASP HB2 H 2.723 0.004 . 199 120 20 ASP HB3 H 2.723 0.004 . 200 120 20 ASP C C 178.332 0.017 . 201 120 20 ASP CA C 58.937 0.155 . 202 120 20 ASP CB C 40.508 0.062 . 203 120 20 ASP N N 122.285 0.004 . 204 121 21 ASP H H 8.857 0.003 . 205 121 21 ASP HA H 4.256 0.005 . 206 121 21 ASP HB2 H 2.518 0.010 . 207 121 21 ASP HB3 H 2.606 0.004 . 208 121 21 ASP C C 178.971 0.005 . 209 121 21 ASP CA C 57.375 0.131 . 210 121 21 ASP CB C 39.789 0.058 . 211 121 21 ASP N N 117.147 0.019 . 212 122 22 ASP H H 7.385 0.003 . 213 122 22 ASP HA H 4.470 0.003 . 214 122 22 ASP HB2 H 2.891 0.002 . 215 122 22 ASP HB3 H 2.747 0.006 . 216 122 22 ASP C C 179.039 0.014 . 217 122 22 ASP CA C 56.824 0.148 . 218 122 22 ASP CB C 42.326 0.065 . 219 122 22 ASP N N 119.462 0.006 . 220 123 23 LEU H H 8.148 0.003 . 221 123 23 LEU HA H 3.978 0.003 . 222 123 23 LEU HB2 H 1.991 0.005 . 223 123 23 LEU HB3 H 1.467 0.004 . 224 123 23 LEU HG H 1.667 0.006 . 225 123 23 LEU HD1 H 0.817 0.001 . 226 123 23 LEU HD2 H 0.914 0.007 . 227 123 23 LEU C C 178.054 0.013 . 228 123 23 LEU CA C 57.777 0.119 . 229 123 23 LEU CB C 42.320 0.075 . 230 123 23 LEU CG C 26.786 0.095 . 231 123 23 LEU CD1 C 24.805 0.048 . 232 123 23 LEU CD2 C 26.162 0.076 . 233 123 23 LEU N N 121.195 0.007 . 234 124 24 ALA H H 8.243 0.002 . 235 124 24 ALA HA H 3.498 0.003 . 236 124 24 ALA HB H 0.871 0.002 . 237 124 24 ALA C C 180.228 0.008 . 238 124 24 ALA CA C 55.461 0.131 . 239 124 24 ALA CB C 17.285 0.062 . 240 124 24 ALA N N 122.032 0.011 . 241 125 25 ALA H H 7.306 0.002 . 242 125 25 ALA HA H 4.083 0.006 . 243 125 25 ALA HB H 1.466 0.006 . 244 125 25 ALA C C 179.567 0.003 . 245 125 25 ALA CA C 54.481 0.089 . 246 125 25 ALA CB C 18.118 0.090 . 247 125 25 ALA N N 119.329 0.010 . 248 126 26 LEU H H 7.448 0.002 . 249 126 26 LEU HA H 4.147 0.005 . 250 126 26 LEU HB2 H 1.801 0.001 . 251 126 26 LEU HB3 H 1.539 0.006 . 252 126 26 LEU HG H 1.674 0.004 . 253 126 26 LEU HD1 H 0.873 0.001 . 254 126 26 LEU HD2 H 0.877 0.003 . 255 126 26 LEU C C 178.328 0.007 . 256 126 26 LEU CA C 57.190 0.095 . 257 126 26 LEU CB C 43.600 0.027 . 258 126 26 LEU CG C 26.928 0.055 . 259 126 26 LEU CD1 C 24.264 0.107 . 260 126 26 LEU CD2 C 25.075 0.077 . 261 126 26 LEU N N 117.944 0.004 . 262 127 27 LEU H H 8.084 0.007 . 263 127 27 LEU HA H 4.236 0.011 . 264 127 27 LEU HB2 H 1.763 0.002 . 265 127 27 LEU HB3 H 1.393 0.009 . 266 127 27 LEU HG H 1.828 0.016 . 267 127 27 LEU HD1 H 0.783 0.005 . 268 127 27 LEU HD2 H 1.041 0.004 . 269 127 27 LEU C C 177.814 0.013 . 270 127 27 LEU CA C 55.121 0.065 . 271 127 27 LEU CB C 43.038 0.039 . 272 127 27 LEU CG C 27.236 0.056 . 273 127 27 LEU CD1 C 23.186 0.048 . 274 127 27 LEU CD2 C 26.407 0.061 . 275 127 27 LEU N N 115.234 0.000 . 276 128 28 GLY H H 7.716 0.003 . 277 128 28 GLY HA2 H 3.749 0.015 . 278 128 28 GLY HA3 H 3.749 0.015 . 279 128 28 GLY C C 176.260 0.023 . 280 128 28 GLY CA C 46.476 0.077 . 281 128 28 GLY N N 107.668 0.010 . 282 129 29 LYS H H 8.808 0.003 . 283 129 29 LYS HA H 4.204 0.003 . 284 129 29 LYS HB2 H 1.895 0.002 . 285 129 29 LYS HB3 H 1.809 0.003 . 286 129 29 LYS HG2 H 1.484 0.005 . 287 129 29 LYS HG3 H 1.353 0.003 . 288 129 29 LYS HD2 H 1.666 0.004 . 289 129 29 LYS HD3 H 1.666 0.004 . 290 129 29 LYS HE2 H 2.995 0.001 . 291 129 29 LYS HE3 H 2.995 0.001 . 292 129 29 LYS C C 176.910 0.016 . 293 129 29 LYS CA C 57.891 0.037 . 294 129 29 LYS CB C 32.226 0.028 . 295 129 29 LYS CG C 24.282 0.055 . 296 129 29 LYS CD C 29.400 0.071 . 297 129 29 LYS CE C 42.101 0.060 . 298 129 29 LYS N N 124.948 0.009 . 299 130 30 GLU H H 8.079 0.002 . 300 130 30 GLU HA H 4.480 0.003 . 301 130 30 GLU HB2 H 2.106 0.001 . 302 130 30 GLU HB3 H 1.757 0.007 . 303 130 30 GLU HG2 H 2.197 0.006 . 304 130 30 GLU HG3 H 2.197 0.006 . 305 130 30 GLU C C 176.135 0.012 . 306 130 30 GLU CA C 55.484 0.073 . 307 130 30 GLU CB C 28.617 0.076 . 308 130 30 GLU CG C 35.382 0.051 . 309 130 30 GLU N N 117.198 0.011 . 310 131 31 PHE H H 7.482 0.003 . 311 131 31 PHE HA H 4.135 0.005 . 312 131 31 PHE HB2 H 3.000 0.015 . 313 131 31 PHE HB3 H 2.978 0.002 . 314 131 31 PHE HD1 H 6.951 0.004 . 315 131 31 PHE HD2 H 6.951 0.004 . 316 131 31 PHE HE1 H 7.204 0.004 . 317 131 31 PHE HE2 H 7.204 0.004 . 318 131 31 PHE HZ H 7.188 0.004 . 319 131 31 PHE C C 175.020 0.000 . 320 131 31 PHE CA C 58.782 0.150 . 321 131 31 PHE CB C 39.831 0.029 . 322 131 31 PHE CD1 C 131.388 0.057 . 323 131 31 PHE CE1 C 131.794 0.121 . 324 131 31 PHE CZ C 129.810 0.001 . 325 131 31 PHE N N 119.069 0.012 . 326 132 32 ILE H H 8.677 0.004 . 327 132 32 ILE HA H 3.887 0.002 . 328 132 32 ILE HB H 1.645 0.007 . 329 132 32 ILE HG12 H 1.617 0.012 . 330 132 32 ILE HG13 H 1.039 0.002 . 331 132 32 ILE HG2 H 0.756 0.007 . 332 132 32 ILE HD1 H 0.803 0.002 . 333 132 32 ILE C C 175.607 0.011 . 334 132 32 ILE CA C 61.330 0.132 . 335 132 32 ILE CB C 38.222 0.098 . 336 132 32 ILE CG1 C 27.449 0.060 . 337 132 32 ILE CG2 C 17.463 0.069 . 338 132 32 ILE CD1 C 13.578 0.062 . 339 132 32 ILE N N 128.993 0.000 . 340 133 33 ARG H H 8.305 0.004 . 341 133 33 ARG HA H 4.206 0.003 . 342 133 33 ARG HB2 H 1.706 0.001 . 343 133 33 ARG HB3 H 1.805 0.004 . 344 133 33 ARG HG2 H 1.635 0.007 . 345 133 33 ARG HG3 H 1.635 0.007 . 346 133 33 ARG HD2 H 3.212 0.005 . 347 133 33 ARG HD3 H 3.212 0.005 . 348 133 33 ARG HE H 7.322 0.002 . 349 133 33 ARG C C 176.192 0.007 . 350 133 33 ARG CA C 55.633 0.098 . 351 133 33 ARG CB C 31.168 0.073 . 352 133 33 ARG CG C 27.467 0.042 . 353 133 33 ARG CD C 43.465 0.080 . 354 133 33 ARG N N 126.677 0.004 . 355 133 33 ARG NE N 84.653 0.057 . 356 134 34 GLU H H 8.621 0.002 . 357 134 34 GLU HA H 4.245 0.005 . 358 134 34 GLU HB2 H 2.033 0.003 . 359 134 34 GLU HB3 H 1.958 0.002 . 360 134 34 GLU HG2 H 2.248 0.003 . 361 134 34 GLU HG3 H 2.248 0.003 . 362 134 34 GLU C C 177.265 0.008 . 363 134 34 GLU CA C 57.175 0.126 . 364 134 34 GLU CB C 30.075 0.058 . 365 134 34 GLU CG C 36.233 0.062 . 366 134 34 GLU N N 123.820 0.003 . 367 135 35 GLY H H 8.620 0.002 . 368 135 35 GLY HA2 H 3.999 0.000 . 369 135 35 GLY HA3 H 3.999 0.000 . 370 135 35 GLY C C 174.960 0.000 . 371 135 35 GLY CA C 45.525 0.000 . 372 135 35 GLY N N 111.154 0.021 . 373 137 37 GLY H H 8.357 0.002 . 374 137 37 GLY HA2 H 3.993 0.000 . 375 137 37 GLY HA3 H 3.993 0.000 . 376 137 37 GLY N N 108.819 0.006 . 377 138 38 SER H H 8.401 0.003 . 378 138 38 SER HA H 4.516 0.000 . 379 138 38 SER N N 115.689 0.012 . 380 139 39 GLY H H 8.562 0.009 . 381 139 39 GLY HA2 H 4.004 0.000 . 382 139 39 GLY HA3 H 4.004 0.000 . 383 139 39 GLY N N 110.982 0.001 . 384 140 40 GLY H H 8.299 0.002 . 385 140 40 GLY HA2 H 3.983 0.000 . 386 140 40 GLY HA3 H 3.983 0.000 . 387 140 40 GLY N N 108.621 0.006 . 388 146 46 SER H H 8.308 0.002 . 389 146 46 SER HA H 4.427 0.013 . 390 146 46 SER HB2 H 3.764 0.002 . 391 146 46 SER HB3 H 3.764 0.002 . 392 146 46 SER C C 174.789 0.000 . 393 146 46 SER CA C 58.513 0.093 . 394 146 46 SER CB C 63.883 0.060 . 395 146 46 SER N N 115.657 0.014 . 396 147 47 MET H H 8.449 0.002 . 397 147 47 MET HA H 4.478 0.003 . 398 147 47 MET HB2 H 1.995 0.004 . 399 147 47 MET HB3 H 2.094 0.004 . 400 147 47 MET HG2 H 2.585 0.009 . 401 147 47 MET HG3 H 2.510 0.003 . 402 147 47 MET HE H 2.081 0.000 . 403 147 47 MET C C 175.934 0.003 . 404 147 47 MET CA C 55.690 0.095 . 405 147 47 MET CB C 32.670 0.052 . 406 147 47 MET CG C 32.052 0.011 . 407 147 47 MET CE C 16.952 0.000 . 408 147 47 MET N N 121.766 0.006 . 409 148 48 ASN H H 8.378 0.002 . 410 148 48 ASN HA H 4.675 0.007 . 411 148 48 ASN HB2 H 2.691 0.003 . 412 148 48 ASN HB3 H 2.770 0.006 . 413 148 48 ASN HD21 H 7.591 0.001 . 414 148 48 ASN HD22 H 6.925 0.001 . 415 148 48 ASN C C 174.645 0.002 . 416 148 48 ASN CA C 53.212 0.122 . 417 148 48 ASN CB C 38.904 0.035 . 418 148 48 ASN N N 119.711 0.002 . 419 148 48 ASN ND2 N 113.021 0.003 . 420 149 49 LYS H H 8.241 0.002 . 421 149 49 LYS HA H 4.604 0.003 . 422 149 49 LYS HB2 H 1.812 0.001 . 423 149 49 LYS HB3 H 1.712 0.001 . 424 149 49 LYS HG2 H 1.444 0.002 . 425 149 49 LYS HG3 H 1.444 0.002 . 426 149 49 LYS HD2 H 1.685 0.003 . 427 149 49 LYS HD3 H 1.685 0.003 . 428 149 49 LYS HE2 H 2.995 0.001 . 429 149 49 LYS HE3 H 2.995 0.001 . 430 149 49 LYS C C 174.429 0.000 . 431 149 49 LYS CA C 54.276 0.085 . 432 149 49 LYS CB C 32.605 0.027 . 433 149 49 LYS CG C 24.563 0.055 . 434 149 49 LYS CD C 29.228 0.059 . 435 149 49 LYS CE C 42.203 0.003 . 436 149 49 LYS N N 122.854 0.003 . 437 150 50 PRO HA H 4.527 0.001 . 438 150 50 PRO HB2 H 1.939 0.003 . 439 150 50 PRO HB3 H 2.322 0.006 . 440 150 50 PRO HG2 H 2.017 0.006 . 441 150 50 PRO HG3 H 2.017 0.006 . 442 150 50 PRO HD2 H 3.803 0.003 . 443 150 50 PRO HD3 H 3.646 0.002 . 444 150 50 PRO C C 177.207 0.003 . 445 150 50 PRO CA C 63.274 0.117 . 446 150 50 PRO CB C 32.263 0.065 . 447 150 50 PRO CG C 27.429 0.023 . 448 150 50 PRO CD C 50.699 0.038 . 449 151 51 THR H H 8.391 0.002 . 450 151 51 THR HA H 4.393 0.003 . 451 151 51 THR HB H 4.282 0.004 . 452 151 51 THR HG2 H 1.238 0.001 . 453 151 51 THR C C 174.869 0.008 . 454 151 51 THR CA C 61.833 0.146 . 455 151 51 THR CB C 70.289 0.166 . 456 151 51 THR CG2 C 21.677 0.000 . 457 151 51 THR N N 114.254 0.002 . 458 152 52 SER H H 8.416 0.002 . 459 152 52 SER HA H 4.526 0.003 . 460 152 52 SER HB2 H 3.880 0.009 . 461 152 52 SER HB3 H 3.880 0.009 . 462 152 52 SER C C 174.891 0.007 . 463 152 52 SER CA C 58.500 0.112 . 464 152 52 SER CB C 64.028 0.074 . 465 152 52 SER N N 117.776 0.003 . 466 153 53 SER H H 8.530 0.001 . 467 153 53 SER HA H 4.521 0.007 . 468 153 53 SER HB2 H 3.892 0.003 . 469 153 53 SER HB3 H 3.892 0.003 . 470 153 53 SER C C 174.434 0.023 . 471 153 53 SER CA C 58.898 0.131 . 472 153 53 SER CB C 63.845 0.117 . 473 153 53 SER N N 117.867 0.007 . 474 154 54 ASP H H 8.320 0.001 . 475 154 54 ASP HA H 4.710 0.005 . 476 154 54 ASP HB2 H 2.683 0.013 . 477 154 54 ASP HB3 H 2.621 0.002 . 478 154 54 ASP C C 176.919 0.014 . 479 154 54 ASP CA C 54.545 0.117 . 480 154 54 ASP CB C 41.297 0.037 . 481 154 54 ASP N N 121.713 0.012 . 482 155 55 GLY H H 8.411 0.002 . 483 155 55 GLY HA2 H 4.019 0.010 . 484 155 55 GLY HA3 H 4.019 0.010 . 485 155 55 GLY C C 174.988 0.016 . 486 155 55 GLY CA C 46.535 0.120 . 487 155 55 GLY N N 109.535 0.008 . 488 156 56 TRP H H 8.042 0.002 . 489 156 56 TRP HA H 4.551 0.005 . 490 156 56 TRP HB2 H 3.498 0.003 . 491 156 56 TRP HB3 H 3.170 0.005 . 492 156 56 TRP HD1 H 7.428 0.002 . 493 156 56 TRP HE1 H 10.360 0.003 . 494 156 56 TRP HE3 H 7.173 0.015 . 495 156 56 TRP HZ2 H 7.137 0.002 . 496 156 56 TRP HZ3 H 6.140 0.010 . 497 156 56 TRP HH2 H 6.752 0.009 . 498 156 56 TRP C C 177.651 0.008 . 499 156 56 TRP CA C 58.400 0.100 . 500 156 56 TRP CB C 28.953 0.048 . 501 156 56 TRP CD1 C 127.507 0.028 . 502 156 56 TRP CE3 C 121.001 0.000 . 503 156 56 TRP CZ2 C 114.218 0.011 . 504 156 56 TRP CZ3 C 120.844 0.091 . 505 156 56 TRP CH2 C 123.171 0.037 . 506 156 56 TRP N N 119.982 0.009 . 507 156 56 TRP NE1 N 130.161 0.013 . 508 157 57 LYS H H 7.256 0.002 . 509 157 57 LYS HA H 3.049 0.008 . 510 157 57 LYS HB2 H 1.255 0.005 . 511 157 57 LYS HB3 H 1.151 0.004 . 512 157 57 LYS HG2 H 0.399 0.003 . 513 157 57 LYS HG3 H 0.296 0.006 . 514 157 57 LYS HD2 H 1.403 0.004 . 515 157 57 LYS HD3 H 1.403 0.004 . 516 157 57 LYS HE2 H 2.750 0.001 . 517 157 57 LYS HE3 H 2.750 0.001 . 518 157 57 LYS C C 177.411 0.003 . 519 157 57 LYS CA C 60.413 0.114 . 520 157 57 LYS CB C 31.916 0.072 . 521 157 57 LYS CG C 24.343 0.029 . 522 157 57 LYS CD C 29.494 0.088 . 523 157 57 LYS CE C 42.096 0.061 . 524 157 57 LYS N N 122.806 0.007 . 525 158 58 ASP H H 7.752 0.002 . 526 158 58 ASP HA H 4.290 0.002 . 527 158 58 ASP HB2 H 2.668 0.008 . 528 158 58 ASP HB3 H 2.668 0.008 . 529 158 58 ASP C C 179.105 0.006 . 530 158 58 ASP CA C 57.813 0.088 . 531 158 58 ASP CB C 40.260 0.031 . 532 158 58 ASP N N 118.461 0.009 . 533 159 59 ASP H H 8.083 0.002 . 534 159 59 ASP HA H 4.394 0.006 . 535 159 59 ASP HB2 H 2.790 0.009 . 536 159 59 ASP HB3 H 2.720 0.003 . 537 159 59 ASP C C 177.919 0.004 . 538 159 59 ASP CA C 57.335 0.158 . 539 159 59 ASP CB C 41.561 0.041 . 540 159 59 ASP N N 120.360 0.011 . 541 160 60 TYR H H 8.182 0.005 . 542 160 60 TYR HA H 3.964 0.003 . 543 160 60 TYR HB2 H 2.961 0.009 . 544 160 60 TYR HB3 H 3.304 0.003 . 545 160 60 TYR HD1 H 7.050 0.003 . 546 160 60 TYR HD2 H 7.050 0.003 . 547 160 60 TYR HE1 H 6.694 0.002 . 548 160 60 TYR HE2 H 6.694 0.002 . 549 160 60 TYR C C 178.407 0.000 . 550 160 60 TYR CA C 62.870 0.120 . 551 160 60 TYR CB C 40.319 0.041 . 552 160 60 TYR CD1 C 132.985 0.032 . 553 160 60 TYR CE1 C 117.703 0.029 . 554 160 60 TYR N N 122.423 0.000 . 555 161 61 LEU H H 8.862 0.004 . 556 161 61 LEU HA H 3.972 0.004 . 557 161 61 LEU HB2 H 1.959 0.005 . 558 161 61 LEU HB3 H 1.470 0.004 . 559 161 61 LEU HG H 1.792 0.002 . 560 161 61 LEU HD1 H 0.940 0.003 . 561 161 61 LEU HD2 H 0.967 0.002 . 562 161 61 LEU C C 178.861 0.000 . 563 161 61 LEU CA C 58.141 0.030 . 564 161 61 LEU CB C 42.296 0.088 . 565 161 61 LEU CG C 27.573 0.040 . 566 161 61 LEU CD1 C 25.034 0.052 . 567 161 61 LEU CD2 C 25.630 0.031 . 568 161 61 LEU N N 117.087 0.033 . 569 162 62 SER H H 7.938 0.003 . 570 162 62 SER HA H 4.108 0.002 . 571 162 62 SER HB2 H 4.018 0.005 . 572 162 62 SER HB3 H 4.018 0.005 . 573 162 62 SER C C 177.850 0.000 . 574 162 62 SER CA C 61.724 0.141 . 575 162 62 SER CB C 62.899 0.087 . 576 162 62 SER N N 114.102 0.016 . 577 163 63 ARG H H 7.570 0.003 . 578 163 63 ARG HA H 3.997 0.008 . 579 163 63 ARG HB2 H 1.920 0.007 . 580 163 63 ARG HB3 H 1.808 0.006 . 581 163 63 ARG HG2 H 1.647 0.006 . 582 163 63 ARG HG3 H 1.857 0.000 . 583 163 63 ARG HD2 H 3.233 0.005 . 584 163 63 ARG HD3 H 2.946 0.001 . 585 163 63 ARG HE H 7.344 0.000 . 586 163 63 ARG C C 180.478 0.003 . 587 163 63 ARG CA C 59.174 0.080 . 588 163 63 ARG CB C 31.622 0.054 . 589 163 63 ARG CG C 26.953 0.069 . 590 163 63 ARG CD C 44.273 0.079 . 591 163 63 ARG N N 120.783 0.014 . 592 163 63 ARG NE N 85.030 0.000 . 593 164 64 LEU H H 8.676 0.003 . 594 164 64 LEU HA H 3.805 0.004 . 595 164 64 LEU HB2 H 2.145 0.015 . 596 164 64 LEU HB3 H 1.201 0.003 . 597 164 64 LEU HG H 1.820 0.008 . 598 164 64 LEU HD1 H 0.575 0.005 . 599 164 64 LEU HD2 H 0.925 0.008 . 600 164 64 LEU C C 179.130 0.007 . 601 164 64 LEU CA C 57.946 0.064 . 602 164 64 LEU CB C 42.178 0.134 . 603 164 64 LEU CG C 25.782 0.125 . 604 164 64 LEU CD1 C 24.050 0.049 . 605 164 64 LEU CD2 C 27.428 0.067 . 606 164 64 LEU N N 120.900 0.003 . 607 165 65 SER H H 8.025 0.002 . 608 165 65 SER HA H 4.358 0.018 . 609 165 65 SER HB2 H 4.083 0.002 . 610 165 65 SER HB3 H 3.979 0.001 . 611 165 65 SER C C 175.924 0.000 . 612 165 65 SER CA C 61.166 0.126 . 613 165 65 SER CB C 63.528 0.034 . 614 165 65 SER N N 110.678 0.010 . 615 166 66 ARG H H 7.121 0.002 . 616 166 66 ARG HA H 4.395 0.004 . 617 166 66 ARG HB2 H 1.693 0.012 . 618 166 66 ARG HB3 H 2.125 0.003 . 619 166 66 ARG HG2 H 1.835 0.008 . 620 166 66 ARG HG3 H 1.655 0.014 . 621 166 66 ARG HD2 H 3.252 0.003 . 622 166 66 ARG HD3 H 3.205 0.000 . 623 166 66 ARG HE H 7.213 0.002 . 624 166 66 ARG C C 176.662 0.010 . 625 166 66 ARG CA C 55.991 0.088 . 626 166 66 ARG CB C 30.881 0.106 . 627 166 66 ARG CG C 27.694 0.114 . 628 166 66 ARG CD C 43.524 0.062 . 629 166 66 ARG N N 119.628 0.006 . 630 166 66 ARG NE N 84.849 0.018 . 631 167 67 LEU H H 7.498 0.004 . 632 167 67 LEU HA H 4.488 0.005 . 633 167 67 LEU HB2 H 1.502 0.001 . 634 167 67 LEU HB3 H 2.022 0.013 . 635 167 67 LEU HG H 2.090 0.003 . 636 167 67 LEU HD1 H 0.739 0.008 . 637 167 67 LEU HD2 H 0.734 0.002 . 638 167 67 LEU C C 176.986 0.006 . 639 167 67 LEU CA C 54.230 0.071 . 640 167 67 LEU CB C 42.207 0.077 . 641 167 67 LEU CG C 26.146 0.088 . 642 167 67 LEU CD1 C 22.579 0.058 . 643 167 67 LEU CD2 C 26.372 0.094 . 644 167 67 LEU N N 120.173 0.003 . 645 168 68 SER H H 9.213 0.002 . 646 168 68 SER HA H 4.537 0.005 . 647 168 68 SER HB2 H 4.058 0.002 . 648 168 68 SER HB3 H 4.491 0.011 . 649 168 68 SER C C 175.379 0.003 . 650 168 68 SER CA C 56.588 0.124 . 651 168 68 SER CB C 65.692 0.057 . 652 168 68 SER N N 116.230 0.012 . 653 169 69 LYS H H 9.050 0.001 . 654 169 69 LYS HA H 3.896 0.007 . 655 169 69 LYS HB2 H 1.781 0.015 . 656 169 69 LYS HB3 H 1.826 0.002 . 657 169 69 LYS HG2 H 1.195 0.004 . 658 169 69 LYS HG3 H 1.402 0.007 . 659 169 69 LYS HD2 H 1.664 0.002 . 660 169 69 LYS HD3 H 1.713 0.001 . 661 169 69 LYS HE2 H 3.014 0.009 . 662 169 69 LYS HE3 H 3.014 0.009 . 663 169 69 LYS C C 178.050 0.018 . 664 169 69 LYS CA C 61.756 0.156 . 665 169 69 LYS CB C 31.708 0.103 . 666 169 69 LYS CG C 26.345 0.067 . 667 169 69 LYS CD C 30.063 0.111 . 668 169 69 LYS CE C 42.470 0.061 . 669 169 69 LYS N N 121.056 0.004 . 670 170 70 ASN H H 8.578 0.003 . 671 170 70 ASN HA H 4.512 0.007 . 672 170 70 ASN HB2 H 2.369 0.003 . 673 170 70 ASN HB3 H 2.662 0.007 . 674 170 70 ASN HD21 H 7.405 0.003 . 675 170 70 ASN HD22 H 6.761 0.001 . 676 170 70 ASN C C 177.932 0.021 . 677 170 70 ASN CA C 56.236 0.085 . 678 170 70 ASN CB C 38.753 0.057 . 679 170 70 ASN N N 116.482 0.000 . 680 170 70 ASN ND2 N 111.971 0.001 . 681 171 71 GLN H H 7.936 0.004 . 682 171 71 GLN HA H 3.755 0.004 . 683 171 71 GLN HB2 H 1.763 0.004 . 684 171 71 GLN HB3 H 2.630 0.014 . 685 171 71 GLN HG2 H 2.195 0.007 . 686 171 71 GLN HG3 H 2.481 0.003 . 687 171 71 GLN HE21 H 7.593 0.004 . 688 171 71 GLN HE22 H 7.318 0.002 . 689 171 71 GLN C C 177.934 0.003 . 690 171 71 GLN CA C 59.694 0.062 . 691 171 71 GLN CB C 30.780 0.066 . 692 171 71 GLN CG C 36.691 0.060 . 693 171 71 GLN N N 118.295 0.008 . 694 171 71 GLN NE2 N 115.053 0.004 . 695 172 72 LEU H H 8.689 0.012 . 696 172 72 LEU HA H 3.917 0.009 . 697 172 72 LEU HB2 H 1.371 0.009 . 698 172 72 LEU HB3 H 2.074 0.008 . 699 172 72 LEU HG H 1.755 0.000 . 700 172 72 LEU HD1 H 0.868 0.011 . 701 172 72 LEU HD2 H 0.856 0.004 . 702 172 72 LEU C C 179.406 0.006 . 703 172 72 LEU CA C 58.364 0.108 . 704 172 72 LEU CB C 43.537 0.102 . 705 172 72 LEU CD1 C 25.038 0.073 . 706 172 72 LEU CD2 C 26.579 0.086 . 707 172 72 LEU N N 119.869 0.042 . 708 173 73 MET H H 8.653 0.001 . 709 173 73 MET HA H 3.928 0.004 . 710 173 73 MET HB2 H 1.805 0.004 . 711 173 73 MET HB3 H 2.484 0.008 . 712 173 73 MET HG2 H 2.903 0.002 . 713 173 73 MET HG3 H 2.092 0.003 . 714 173 73 MET HE H 2.122 0.007 . 715 173 73 MET C C 177.108 0.004 . 716 173 73 MET CA C 60.699 0.120 . 717 173 73 MET CB C 34.653 0.058 . 718 173 73 MET CG C 32.263 0.033 . 719 173 73 MET CE C 16.483 0.000 . 720 173 73 MET N N 118.903 0.001 . 721 174 74 ALA H H 7.920 0.003 . 722 174 74 ALA HA H 3.906 0.002 . 723 174 74 ALA HB H 1.424 0.007 . 724 174 74 ALA C C 179.302 0.009 . 725 174 74 ALA CA C 55.246 0.106 . 726 174 74 ALA CB C 18.561 0.061 . 727 174 74 ALA N N 119.392 0.001 . 728 175 75 LEU H H 8.606 0.003 . 729 175 75 LEU HA H 3.947 0.004 . 730 175 75 LEU HB2 H 1.572 0.008 . 731 175 75 LEU HB3 H 1.572 0.008 . 732 175 75 LEU HG H 1.463 0.011 . 733 175 75 LEU HD1 H 0.436 0.004 . 734 175 75 LEU HD2 H 0.641 0.004 . 735 175 75 LEU C C 177.476 0.032 . 736 175 75 LEU CA C 57.995 0.085 . 737 175 75 LEU CB C 42.158 0.116 . 738 175 75 LEU CG C 27.265 0.072 . 739 175 75 LEU CD1 C 25.265 0.043 . 740 175 75 LEU CD2 C 24.826 0.002 . 741 175 75 LEU N N 119.692 0.097 . 742 176 76 ALA H H 8.292 0.005 . 743 176 76 ALA HA H 3.959 0.007 . 744 176 76 ALA HB H 1.576 0.003 . 745 176 76 ALA C C 179.055 0.009 . 746 176 76 ALA CA C 55.945 0.082 . 747 176 76 ALA CB C 17.954 0.077 . 748 176 76 ALA N N 120.747 0.000 . 749 177 77 LEU H H 8.070 0.002 . 750 177 77 LEU HA H 4.115 0.005 . 751 177 77 LEU HB2 H 1.894 0.002 . 752 177 77 LEU HB3 H 1.676 0.011 . 753 177 77 LEU HG H 1.723 0.001 . 754 177 77 LEU HD1 H 0.892 0.001 . 755 177 77 LEU HD2 H 0.889 0.002 . 756 177 77 LEU C C 178.455 0.017 . 757 177 77 LEU CA C 58.631 0.085 . 758 177 77 LEU CB C 42.370 0.060 . 759 177 77 LEU CG C 26.648 0.161 . 760 177 77 LEU CD1 C 25.553 0.035 . 761 177 77 LEU CD2 C 24.747 0.074 . 762 177 77 LEU N N 116.297 0.008 . 763 178 78 LYS H H 8.177 0.003 . 764 178 78 LYS HA H 4.126 0.009 . 765 178 78 LYS HB2 H 1.981 0.005 . 766 178 78 LYS HB3 H 2.081 0.003 . 767 178 78 LYS HG2 H 1.538 0.013 . 768 178 78 LYS HG3 H 1.440 0.008 . 769 178 78 LYS HD2 H 1.695 0.001 . 770 178 78 LYS HD3 H 1.654 0.004 . 771 178 78 LYS HE2 H 2.911 0.007 . 772 178 78 LYS HE3 H 2.911 0.007 . 773 178 78 LYS C C 179.686 0.025 . 774 178 78 LYS CA C 59.259 0.072 . 775 178 78 LYS CB C 32.249 0.078 . 776 178 78 LYS CG C 24.815 0.027 . 777 178 78 LYS CD C 29.235 0.040 . 778 178 78 LYS CE C 41.871 0.052 . 779 178 78 LYS N N 119.294 0.002 . 780 179 79 LEU H H 8.706 0.004 . 781 179 79 LEU HA H 4.058 0.009 . 782 179 79 LEU HB2 H 1.262 0.003 . 783 179 79 LEU HB3 H 2.076 0.011 . 784 179 79 LEU HG H 1.813 0.016 . 785 179 79 LEU HD1 H 0.794 0.002 . 786 179 79 LEU HD2 H 1.023 0.004 . 787 179 79 LEU C C 180.030 0.019 . 788 179 79 LEU CA C 57.980 0.103 . 789 179 79 LEU CB C 43.550 0.101 . 790 179 79 LEU CG C 27.626 0.044 . 791 179 79 LEU CD1 C 23.456 0.057 . 792 179 79 LEU CD2 C 27.060 0.075 . 793 179 79 LEU N N 118.605 0.004 . 794 180 80 LYS H H 8.722 0.002 . 795 180 80 LYS HA H 4.059 0.011 . 796 180 80 LYS C C 178.093 0.013 . 797 180 80 LYS CA C 57.731 0.134 . 798 180 80 LYS CB C 30.562 0.003 . 799 180 80 LYS CE C 43.518 0.000 . 800 180 80 LYS N N 121.631 0.005 . 801 181 81 GLN H H 8.848 0.002 . 802 181 81 GLN HA H 3.900 0.005 . 803 181 81 GLN HB2 H 2.469 0.002 . 804 181 81 GLN HB3 H 2.262 0.004 . 805 181 81 GLN HG2 H 2.479 0.002 . 806 181 81 GLN HG3 H 2.610 0.003 . 807 181 81 GLN HE21 H 7.620 0.002 . 808 181 81 GLN HE22 H 6.857 0.001 . 809 181 81 GLN C C 178.508 0.019 . 810 181 81 GLN CA C 59.652 0.053 . 811 181 81 GLN CB C 28.478 0.079 . 812 181 81 GLN CG C 34.360 0.067 . 813 181 81 GLN N N 118.782 0.007 . 814 181 81 GLN NE2 N 111.161 0.009 . 815 182 82 GLN H H 7.935 0.002 . 816 182 82 GLN HA H 4.097 0.006 . 817 182 82 GLN HB2 H 2.153 0.014 . 818 182 82 GLN HB3 H 2.217 0.022 . 819 182 82 GLN HG2 H 2.436 0.003 . 820 182 82 GLN HG3 H 2.617 0.003 . 821 182 82 GLN HE21 H 7.213 0.032 . 822 182 82 GLN HE22 H 7.329 0.028 . 823 182 82 GLN C C 178.243 0.015 . 824 182 82 GLN CA C 58.669 0.147 . 825 182 82 GLN CB C 28.578 0.101 . 826 182 82 GLN CG C 34.447 0.066 . 827 182 82 GLN N N 117.095 0.000 . 828 182 82 GLN NE2 N 110.523 0.008 . 829 183 83 GLN H H 7.624 0.002 . 830 183 83 GLN HA H 4.060 0.003 . 831 183 83 GLN HB2 H 2.162 0.007 . 832 183 83 GLN HB3 H 2.267 0.007 . 833 183 83 GLN HG2 H 2.183 0.006 . 834 183 83 GLN HG3 H 2.538 0.083 . 835 183 83 GLN HE21 H 7.679 0.002 . 836 183 83 GLN HE22 H 7.005 0.001 . 837 183 83 GLN C C 178.380 0.019 . 838 183 83 GLN CA C 58.345 0.093 . 839 183 83 GLN CB C 29.155 0.084 . 840 183 83 GLN CG C 33.926 0.072 . 841 183 83 GLN N N 118.825 0.002 . 842 183 83 GLN NE2 N 111.633 0.004 . 843 184 84 LEU H H 7.733 0.006 . 844 184 84 LEU HA H 4.078 0.005 . 845 184 84 LEU HB2 H 1.636 0.004 . 846 184 84 LEU HB3 H 1.387 0.007 . 847 184 84 LEU HG H 1.464 0.004 . 848 184 84 LEU HD1 H 0.499 0.002 . 849 184 84 LEU HD2 H 0.045 0.004 . 850 184 84 LEU C C 178.508 0.032 . 851 184 84 LEU CA C 56.212 0.032 . 852 184 84 LEU CB C 42.107 0.061 . 853 184 84 LEU CG C 26.459 0.136 . 854 184 84 LEU CD1 C 22.585 0.051 . 855 184 84 LEU CD2 C 24.790 0.064 . 856 184 84 LEU N N 118.382 0.005 . 857 185 85 GLU H H 7.845 0.005 . 858 185 85 GLU HA H 4.214 0.003 . 859 185 85 GLU HB2 H 2.111 0.000 . 860 185 85 GLU HB3 H 2.030 0.001 . 861 185 85 GLU HG2 H 2.437 0.001 . 862 185 85 GLU HG3 H 2.300 0.012 . 863 185 85 GLU C C 176.827 0.013 . 864 185 85 GLU CA C 57.214 0.082 . 865 185 85 GLU CB C 29.864 0.048 . 866 185 85 GLU CG C 36.522 0.038 . 867 185 85 GLU N N 118.644 0.005 . 868 186 86 GLN H H 7.875 0.002 . 869 186 86 GLN HA H 4.328 0.006 . 870 186 86 GLN HB2 H 2.195 0.011 . 871 186 86 GLN HB3 H 2.058 0.004 . 872 186 86 GLN HG2 H 2.440 0.002 . 873 186 86 GLN HG3 H 2.440 0.002 . 874 186 86 GLN HE21 H 7.567 0.001 . 875 186 86 GLN HE22 H 6.855 0.001 . 876 186 86 GLN C C 175.773 0.005 . 877 186 86 GLN CA C 56.213 0.088 . 878 186 86 GLN CB C 29.466 0.056 . 879 186 86 GLN CG C 33.972 0.086 . 880 186 86 GLN N N 119.465 0.006 . 881 186 86 GLN NE2 N 112.437 0.006 . 882 187 87 GLY H H 7.924 0.002 . 883 187 87 GLY HA2 H 3.761 0.000 . 884 187 87 GLY HA3 H 3.761 0.000 . 885 187 87 GLY C C 179.057 0.000 . 886 187 87 GLY CA C 46.444 0.000 . 887 187 87 GLY N N 115.487 0.003 . stop_ save_