data_36179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of centrin4 from Trypanosoma brucei ; _BMRB_accession_number 36179 _BMRB_flat_file_name bmr36179.str _Entry_type original _Submission_date 2018-04-15 _Accession_date 2018-05-27 _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 Shan F. Z. . 2 Tu X. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 849 "13C chemical shifts" 368 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-11 original BMRB . stop_ _Original_release_date 2018-05-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of TbCentrin4 from ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30389845 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shan Fangzhen . . 2 Ye Kaiqin . . 3 Zhang Jiahai . . 4 Liao Shanhui . . 5 Zhang Xuecheng . . 6 Xu Chao . . 7 Tu Xiaoming . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 475 _Journal_issue 23 _Journal_ISSN 1470-8728 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3763 _Page_last 3778 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Centrin, putative' _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 'Centrin, putative' _Molecular_mass 16570.627 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 149 _Mol_residue_sequence ; MAALTDEQIREAFNLFDADG SGAIDAEEMALAMKGLGFGD LPRDEVERTVRSMNTNANGL IEYGEFERMVKSRMAQKDSP EEVLKAFQLFDLDKKGKISF ANLKEVAKLLGENPGDDVLQ EMIAEADEDGDGEVSFEEFK SVMMQMRGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ALA 4 4 LEU 5 5 THR 6 6 ASP 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ARG 11 11 GLU 12 12 ALA 13 13 PHE 14 14 ASN 15 15 LEU 16 16 PHE 17 17 ASP 18 18 ALA 19 19 ASP 20 20 GLY 21 21 SER 22 22 GLY 23 23 ALA 24 24 ILE 25 25 ASP 26 26 ALA 27 27 GLU 28 28 GLU 29 29 MET 30 30 ALA 31 31 LEU 32 32 ALA 33 33 MET 34 34 LYS 35 35 GLY 36 36 LEU 37 37 GLY 38 38 PHE 39 39 GLY 40 40 ASP 41 41 LEU 42 42 PRO 43 43 ARG 44 44 ASP 45 45 GLU 46 46 VAL 47 47 GLU 48 48 ARG 49 49 THR 50 50 VAL 51 51 ARG 52 52 SER 53 53 MET 54 54 ASN 55 55 THR 56 56 ASN 57 57 ALA 58 58 ASN 59 59 GLY 60 60 LEU 61 61 ILE 62 62 GLU 63 63 TYR 64 64 GLY 65 65 GLU 66 66 PHE 67 67 GLU 68 68 ARG 69 69 MET 70 70 VAL 71 71 LYS 72 72 SER 73 73 ARG 74 74 MET 75 75 ALA 76 76 GLN 77 77 LYS 78 78 ASP 79 79 SER 80 80 PRO 81 81 GLU 82 82 GLU 83 83 VAL 84 84 LEU 85 85 LYS 86 86 ALA 87 87 PHE 88 88 GLN 89 89 LEU 90 90 PHE 91 91 ASP 92 92 LEU 93 93 ASP 94 94 LYS 95 95 LYS 96 96 GLY 97 97 LYS 98 98 ILE 99 99 SER 100 100 PHE 101 101 ALA 102 102 ASN 103 103 LEU 104 104 LYS 105 105 GLU 106 106 VAL 107 107 ALA 108 108 LYS 109 109 LEU 110 110 LEU 111 111 GLY 112 112 GLU 113 113 ASN 114 114 PRO 115 115 GLY 116 116 ASP 117 117 ASP 118 118 VAL 119 119 LEU 120 120 GLN 121 121 GLU 122 122 MET 123 123 ILE 124 124 ALA 125 125 GLU 126 126 ALA 127 127 ASP 128 128 GLU 129 129 ASP 130 130 GLY 131 131 ASP 132 132 GLY 133 133 GLU 134 134 VAL 135 135 SER 136 136 PHE 137 137 GLU 138 138 GLU 139 139 PHE 140 140 LYS 141 141 SER 142 142 VAL 143 143 MET 144 144 MET 145 145 GLN 146 146 MET 147 147 ARG 148 148 GLY 149 149 LYS 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 _Strain _Gene_mnemonic $entity_1 'Trypanosoma brucei' 185431 Eukaryota . Trypanosoma 'Trypanosoma brucei' '927/4 GUTat10.1' Tb927.7.3410 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] centrin4, 20 mM sodium phosphate, 200 mM sodium chloride, 2 mM DTT, 2 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' 'sodium chloride' 200 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.8 . 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 . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 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 '2D 1H-15N HSQC' 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 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 1 1 MET HA H 3.803 0.006 . 2 1 1 MET HB2 H 2.132 0.012 . 3 1 1 MET HB3 H 1.846 0.007 . 4 1 1 MET HG2 H 2.632 0.002 . 5 1 1 MET HG3 H 2.632 0.002 . 6 1 1 MET HE H 2.034 0.003 . 7 1 1 MET CA C 57.262 0.142 . 8 1 1 MET CB C 32.321 0.060 . 9 2 2 ALA H H 7.845 0.007 . 10 2 2 ALA HA H 4.056 0.008 . 11 2 2 ALA HB H 1.494 0.001 . 12 2 2 ALA CA C 51.538 0.129 . 13 2 2 ALA CB C 19.452 0.480 . 14 2 2 ALA N N 120.286 0.023 . 15 3 3 ALA H H 8.572 0.004 . 16 3 3 ALA HA H 4.341 0.004 . 17 3 3 ALA HB H 1.374 0.008 . 18 3 3 ALA HB H 1.368 0.002 . 19 3 3 ALA HB H 1.158 0.002 . 20 3 3 ALA CA C 52.526 0.256 . 21 3 3 ALA CB C 19.365 0.350 . 22 3 3 ALA N N 123.319 0.019 . 23 4 4 LEU H H 7.843 0.009 . 24 4 4 LEU HA H 4.724 0.003 . 25 4 4 LEU HB2 H 1.690 0.003 . 26 4 4 LEU HB3 H 1.398 0.003 . 27 4 4 LEU HG H 1.452 0.007 . 28 4 4 LEU HD1 H 0.923 0.014 . 29 4 4 LEU HD1 H 0.923 0.014 . 30 4 4 LEU HD2 H 0.876 0.026 . 31 4 4 LEU CA C 54.074 0.096 . 32 4 4 LEU CB C 44.343 0.133 . 33 4 4 LEU CG C 26.311 0.000 . 34 4 4 LEU N N 121.006 0.025 . 35 5 5 THR H H 8.686 0.007 . 36 5 5 THR HA H 4.754 0.003 . 37 5 5 THR HB H 4.539 0.021 . 38 5 5 THR HG2 H 1.302 0.008 . 39 5 5 THR HG2 H 1.302 0.008 . 40 5 5 THR HG2 H 1.302 0.008 . 41 5 5 THR CA C 59.979 0.120 . 42 5 5 THR CB C 71.175 0.081 . 43 5 5 THR CG2 C 21.421 0.000 . 44 5 5 THR N N 113.907 0.096 . 45 6 6 ASP H H 8.940 0.012 . 46 6 6 ASP HA H 4.320 0.004 . 47 6 6 ASP HB2 H 2.802 0.003 . 48 6 6 ASP HB3 H 2.583 0.006 . 49 6 6 ASP CA C 57.967 0.076 . 50 6 6 ASP CB C 39.318 0.208 . 51 6 6 ASP N N 122.127 0.047 . 52 7 7 GLU H H 8.541 0.002 . 53 7 7 GLU HA H 3.637 0.007 . 54 7 7 GLU HB2 H 1.993 0.028 . 55 7 7 GLU HB3 H 1.846 0.022 . 56 7 7 GLU HG2 H 2.336 0.013 . 57 7 7 GLU HG3 H 2.168 0.012 . 58 7 7 GLU CA C 60.219 0.066 . 59 7 7 GLU CB C 29.127 0.065 . 60 7 7 GLU CG C 36.227 0.000 . 61 7 7 GLU N N 118.339 0.039 . 62 8 8 GLN H H 7.699 0.004 . 63 8 8 GLN HA H 4.052 0.035 . 64 8 8 GLN HB2 H 2.491 0.028 . 65 8 8 GLN HB3 H 1.952 0.007 . 66 8 8 GLN HG2 H 2.743 0.020 . 67 8 8 GLN HG3 H 2.582 0.012 . 68 8 8 GLN CA C 59.255 0.132 . 69 8 8 GLN CB C 29.481 0.322 . 70 8 8 GLN CG C 34.748 0.000 . 71 8 8 GLN N N 120.299 0.053 . 72 9 9 ILE H H 8.048 0.122 . 73 9 9 ILE HA H 3.934 0.025 . 74 9 9 ILE HB H 2.309 0.006 . 75 9 9 ILE HG12 H 1.156 0.009 . 76 9 9 ILE HG13 H 1.156 0.009 . 77 9 9 ILE HG2 H 0.967 0.008 . 78 9 9 ILE HD1 H 0.820 0.008 . 79 9 9 ILE HD1 H 0.820 0.008 . 80 9 9 ILE CA C 65.662 2.163 . 81 9 9 ILE CB C 37.800 0.115 . 82 9 9 ILE CG2 C 18.642 0.000 . 83 9 9 ILE CD1 C 13.782 0.000 . 84 9 9 ILE N N 122.198 0.187 . 85 10 10 ARG H H 8.314 0.005 . 86 10 10 ARG HA H 4.549 0.384 . 87 10 10 ARG HB2 H 1.822 0.010 . 88 10 10 ARG HB3 H 1.682 0.013 . 89 10 10 ARG HG2 H 1.456 0.006 . 90 10 10 ARG HG3 H 1.360 0.009 . 91 10 10 ARG HD2 H 2.794 0.009 . 92 10 10 ARG HD3 H 2.656 0.021 . 93 10 10 ARG CA C 58.872 0.030 . 94 10 10 ARG CB C 29.634 0.310 . 95 10 10 ARG CG C 25.740 0.000 . 96 10 10 ARG CD C 42.282 0.000 . 97 10 10 ARG N N 121.342 0.089 . 98 11 11 GLU H H 8.363 0.003 . 99 11 11 GLU HA H 4.007 0.008 . 100 11 11 GLU HB2 H 2.129 0.010 . 101 11 11 GLU HB3 H 1.849 0.012 . 102 11 11 GLU HG2 H 2.381 0.004 . 103 11 11 GLU HG3 H 2.229 0.024 . 104 11 11 GLU CA C 59.588 0.183 . 105 11 11 GLU CB C 29.728 0.000 . 106 11 11 GLU CG C 36.171 0.000 . 107 11 11 GLU N N 118.765 0.032 . 108 12 12 ALA H H 7.784 0.004 . 109 12 12 ALA HA H 4.297 0.004 . 110 12 12 ALA HB H 1.800 0.006 . 111 12 12 ALA HB H 1.800 0.006 . 112 12 12 ALA CA C 55.393 0.024 . 113 12 12 ALA CB C 18.794 0.313 . 114 12 12 ALA N N 121.121 0.042 . 115 13 13 PHE H H 7.952 0.006 . 116 13 13 PHE HA H 3.474 0.008 . 117 13 13 PHE HB2 H 3.331 0.007 . 118 13 13 PHE HB3 H 3.018 0.007 . 119 13 13 PHE CA C 62.116 0.080 . 120 13 13 PHE CB C 39.931 0.146 . 121 13 13 PHE N N 116.714 0.018 . 122 14 14 ASN H H 8.662 0.006 . 123 14 14 ASN HA H 4.328 0.008 . 124 14 14 ASN HB2 H 2.853 0.015 . 125 14 14 ASN HB3 H 2.725 0.012 . 126 14 14 ASN CA C 55.337 0.072 . 127 14 14 ASN CB C 37.596 0.333 . 128 14 14 ASN N N 114.460 0.034 . 129 15 15 LEU H H 7.800 0.003 . 130 15 15 LEU HA H 3.803 0.006 . 131 15 15 LEU HB2 H 1.578 0.010 . 132 15 15 LEU HB3 H 1.224 0.011 . 133 15 15 LEU HG H 1.067 0.070 . 134 15 15 LEU HD1 H 0.893 0.131 . 135 15 15 LEU HD2 H 0.711 0.002 . 136 15 15 LEU CA C 57.314 0.053 . 137 15 15 LEU CB C 42.026 0.012 . 138 15 15 LEU N N 120.723 0.063 . 139 16 16 PHE H H 7.025 0.012 . 140 16 16 PHE HA H 4.333 0.009 . 141 16 16 PHE HB2 H 3.203 0.015 . 142 16 16 PHE HB3 H 2.063 0.006 . 143 16 16 PHE CA C 59.280 0.026 . 144 16 16 PHE CB C 39.570 0.060 . 145 16 16 PHE N N 114.113 0.015 . 146 17 17 ASP H H 7.234 0.004 . 147 17 17 ASP HA H 4.742 0.020 . 148 17 17 ASP HB2 H 2.638 0.007 . 149 17 17 ASP HB3 H 1.846 0.005 . 150 17 17 ASP CA C 52.147 0.016 . 151 17 17 ASP CB C 39.231 0.051 . 152 17 17 ASP N N 120.701 0.025 . 153 18 18 ALA H H 7.798 0.003 . 154 18 18 ALA HA H 3.992 0.004 . 155 18 18 ALA HB H 1.425 0.007 . 156 18 18 ALA HB H 1.425 0.007 . 157 18 18 ALA HB H 1.425 0.007 . 158 18 18 ALA CA C 55.245 0.017 . 159 18 18 ALA CB C 19.197 0.060 . 160 18 18 ALA N N 126.609 0.034 . 161 19 19 ASP H H 8.399 0.002 . 162 19 19 ASP HA H 4.591 0.002 . 163 19 19 ASP HB2 H 2.917 0.004 . 164 19 19 ASP HB3 H 2.616 0.004 . 165 19 19 ASP CA C 52.756 0.042 . 166 19 19 ASP CB C 40.076 0.054 . 167 19 19 ASP N N 113.714 0.024 . 168 20 20 GLY H H 7.799 0.003 . 169 20 20 GLY HA2 H 3.804 0.009 . 170 20 20 GLY HA3 H 3.652 0.006 . 171 20 20 GLY CA C 47.179 0.222 . 172 20 20 GLY N N 110.664 0.030 . 173 21 21 SER H H 8.860 0.007 . 174 21 21 SER HA H 4.378 0.012 . 175 21 21 SER HB2 H 3.900 0.020 . 176 21 21 SER HB3 H 3.748 0.016 . 177 21 21 SER CA C 59.239 0.033 . 178 21 21 SER CB C 64.222 0.196 . 179 21 21 SER N N 117.925 0.034 . 180 22 22 GLY H H 8.551 0.015 . 181 22 22 GLY HA2 H 4.293 0.015 . 182 22 22 GLY HA3 H 3.773 0.003 . 183 22 22 GLY CA C 45.641 0.004 . 184 22 22 GLY N N 111.109 0.058 . 185 23 23 ALA H H 7.776 0.005 . 186 23 23 ALA HA H 5.339 0.017 . 187 23 23 ALA HB H 1.170 0.005 . 188 23 23 ALA HB H 1.690 0.000 . 189 23 23 ALA HB H 0.981 0.008 . 190 23 23 ALA CA C 51.198 0.052 . 191 23 23 ALA CB C 23.093 0.132 . 192 23 23 ALA N N 122.805 0.040 . 193 24 24 ILE H H 8.744 0.004 . 194 24 24 ILE HA H 4.901 0.011 . 195 24 24 ILE HB H 2.128 0.010 . 196 24 24 ILE HG12 H 1.212 0.003 . 197 24 24 ILE HG13 H 1.054 0.005 . 198 24 24 ILE HG2 H 0.948 0.003 . 199 24 24 ILE HD1 H 0.705 0.011 . 200 24 24 ILE CA C 59.164 0.013 . 201 24 24 ILE CB C 40.734 0.042 . 202 24 24 ILE N N 114.095 0.024 . 203 25 25 ASP H H 8.899 0.003 . 204 25 25 ASP HA H 4.926 0.005 . 205 25 25 ASP HB2 H 3.167 0.016 . 206 25 25 ASP HB3 H 2.556 0.007 . 207 25 25 ASP CA C 51.556 0.081 . 208 25 25 ASP CB C 41.910 0.097 . 209 25 25 ASP N N 120.570 0.057 . 210 26 26 ALA H H 8.284 0.006 . 211 26 26 ALA HA H 3.813 0.012 . 212 26 26 ALA HB H 1.371 0.009 . 213 26 26 ALA CA C 55.705 0.029 . 214 26 26 ALA CB C 19.191 0.334 . 215 26 26 ALA N N 118.823 0.030 . 216 27 27 GLU H H 7.915 0.007 . 217 27 27 GLU HA H 3.993 0.014 . 218 27 27 GLU HB2 H 2.094 0.010 . 219 27 27 GLU HB3 H 2.079 0.009 . 220 27 27 GLU HG2 H 2.282 0.008 . 221 27 27 GLU HG3 H 2.162 0.004 . 222 27 27 GLU CA C 59.313 0.162 . 223 27 27 GLU CB C 29.083 0.253 . 224 27 27 GLU CG C 36.264 0.000 . 225 27 27 GLU N N 118.056 0.028 . 226 28 28 GLU H H 8.643 0.006 . 227 28 28 GLU HA H 3.627 0.004 . 228 28 28 GLU HB2 H 2.345 0.007 . 229 28 28 GLU HB3 H 1.673 0.006 . 230 28 28 GLU HG2 H 2.636 0.004 . 231 28 28 GLU HG3 H 2.425 0.012 . 232 28 28 GLU CA C 59.163 0.035 . 233 28 28 GLU CB C 29.465 0.125 . 234 28 28 GLU N N 122.161 0.048 . 235 29 29 MET H H 8.802 0.003 . 236 29 29 MET HA H 3.602 0.007 . 237 29 29 MET HB2 H 2.381 0.008 . 238 29 29 MET HB3 H 1.907 0.007 . 239 29 29 MET HG2 H 2.680 0.012 . 240 29 29 MET HG3 H 2.536 0.008 . 241 29 29 MET CA C 59.142 0.192 . 242 29 29 MET CB C 32.220 0.060 . 243 29 29 MET N N 118.928 0.021 . 244 30 30 ALA H H 8.049 0.005 . 245 30 30 ALA HA H 3.898 0.004 . 246 30 30 ALA HB H 1.537 0.004 . 247 30 30 ALA HB H 1.442 0.005 . 248 30 30 ALA HB H 1.336 0.008 . 249 30 30 ALA CA C 55.697 0.001 . 250 30 30 ALA CB C 18.119 0.074 . 251 30 30 ALA N N 121.918 0.055 . 252 31 31 LEU H H 7.607 0.003 . 253 31 31 LEU HA H 3.876 0.003 . 254 31 31 LEU HB2 H 1.344 0.004 . 255 31 31 LEU HB3 H 1.071 0.008 . 256 31 31 LEU HG H 1.684 0.002 . 257 31 31 LEU HD1 H 0.902 0.006 . 258 31 31 LEU HD1 H 0.902 0.006 . 259 31 31 LEU HD2 H 0.798 0.006 . 260 31 31 LEU CA C 57.749 0.054 . 261 31 31 LEU CB C 40.957 0.038 . 262 31 31 LEU N N 120.836 0.019 . 263 32 32 ALA H H 8.305 0.003 . 264 32 32 ALA HA H 4.048 0.007 . 265 32 32 ALA HB H 1.307 0.012 . 266 32 32 ALA HB H 1.152 0.010 . 267 32 32 ALA HB H 0.964 0.014 . 268 32 32 ALA CA C 55.196 0.047 . 269 32 32 ALA CB C 17.861 0.321 . 270 32 32 ALA N N 125.315 0.017 . 271 33 33 MET H H 8.491 0.003 . 272 33 33 MET HA H 4.221 0.004 . 273 33 33 MET HB2 H 2.265 0.012 . 274 33 33 MET HB3 H 1.996 0.008 . 275 33 33 MET HG2 H 2.773 0.006 . 276 33 33 MET HG3 H 2.686 0.005 . 277 33 33 MET HE H 2.046 0.000 . 278 33 33 MET CA C 59.222 0.015 . 279 33 33 MET CB C 32.654 0.076 . 280 33 33 MET N N 114.912 0.040 . 281 34 34 LYS H H 8.010 0.004 . 282 34 34 LYS HA H 4.238 0.005 . 283 34 34 LYS HB2 H 2.077 0.009 . 284 34 34 LYS HB3 H 1.958 0.011 . 285 34 34 LYS HG2 H 1.336 0.009 . 286 34 34 LYS HG3 H 1.336 0.009 . 287 34 34 LYS HD2 H 1.657 0.003 . 288 34 34 LYS HD3 H 1.657 0.003 . 289 34 34 LYS HE2 H 2.917 0.018 . 290 34 34 LYS HE3 H 2.917 0.018 . 291 34 34 LYS CA C 59.681 0.129 . 292 34 34 LYS CB C 32.377 0.059 . 293 34 34 LYS N N 123.042 0.041 . 294 35 35 GLY H H 8.230 0.003 . 295 35 35 GLY HA2 H 4.090 0.021 . 296 35 35 GLY HA3 H 3.863 0.020 . 297 35 35 GLY CA C 46.706 0.154 . 298 35 35 GLY N N 109.147 0.034 . 299 36 36 LEU H H 7.593 0.003 . 300 36 36 LEU HA H 4.441 0.008 . 301 36 36 LEU HB2 H 1.984 0.011 . 302 36 36 LEU HB3 H 1.863 0.010 . 303 36 36 LEU HG H 1.997 0.004 . 304 36 36 LEU HD1 H 1.107 0.037 . 305 36 36 LEU HD2 H 1.021 0.002 . 306 36 36 LEU CA C 54.599 0.108 . 307 36 36 LEU CB C 43.119 0.255 . 308 36 36 LEU CG C 26.351 0.000 . 309 36 36 LEU CD1 C 22.319 0.000 . 310 36 36 LEU CD2 C 22.319 0.000 . 311 36 36 LEU N N 119.319 0.034 . 312 37 37 GLY H H 7.609 0.004 . 313 37 37 GLY HA2 H 4.151 0.032 . 314 37 37 GLY HA3 H 3.829 0.006 . 315 37 37 GLY CA C 45.656 0.010 . 316 37 37 GLY N N 104.307 0.019 . 317 38 38 PHE H H 7.897 0.005 . 318 38 38 PHE HA H 4.441 0.005 . 319 38 38 PHE HB2 H 3.287 0.004 . 320 38 38 PHE HB3 H 2.601 0.010 . 321 38 38 PHE CA C 59.139 0.036 . 322 38 38 PHE CB C 38.420 0.040 . 323 38 38 PHE N N 116.702 0.023 . 324 39 39 GLY H H 8.590 0.004 . 325 39 39 GLY HA2 H 4.037 0.010 . 326 39 39 GLY HA3 H 3.792 0.002 . 327 39 39 GLY CA C 44.514 0.025 . 328 39 39 GLY N N 108.547 0.033 . 329 40 40 ASP H H 8.241 0.006 . 330 40 40 ASP HA H 4.593 0.006 . 331 40 40 ASP HB2 H 2.556 0.010 . 332 40 40 ASP HB3 H 2.524 0.006 . 333 40 40 ASP CA C 53.386 0.007 . 334 40 40 ASP CB C 40.992 0.137 . 335 40 40 ASP N N 118.687 0.062 . 336 41 41 LEU H H 8.169 0.006 . 337 41 41 LEU HA H 4.787 0.011 . 338 41 41 LEU HB2 H 1.508 0.021 . 339 41 41 LEU HB3 H 1.400 0.016 . 340 41 41 LEU HG H 1.679 0.004 . 341 41 41 LEU HD1 H 0.962 0.002 . 342 41 41 LEU HD2 H 0.755 0.001 . 343 41 41 LEU CA C 53.312 0.000 . 344 41 41 LEU CB C 42.507 0.000 . 345 41 41 LEU N N 126.448 0.013 . 346 42 42 PRO HA H 4.514 0.006 . 347 42 42 PRO HB2 H 2.431 0.008 . 348 42 42 PRO HB3 H 2.100 0.009 . 349 42 42 PRO HG2 H 1.984 0.012 . 350 42 42 PRO HG3 H 1.824 0.006 . 351 42 42 PRO HD2 H 3.954 0.004 . 352 42 42 PRO HD3 H 3.624 0.015 . 353 42 42 PRO CA C 62.255 0.090 . 354 42 42 PRO CB C 32.398 0.193 . 355 42 42 PRO CG C 27.509 0.000 . 356 42 42 PRO CD C 50.545 0.000 . 357 43 43 ARG H H 8.901 0.003 . 358 43 43 ARG HA H 3.882 0.002 . 359 43 43 ARG HB2 H 1.892 0.009 . 360 43 43 ARG HB3 H 1.892 0.009 . 361 43 43 ARG HG2 H 1.696 0.003 . 362 43 43 ARG HG3 H 1.696 0.003 . 363 43 43 ARG HD2 H 3.192 0.003 . 364 43 43 ARG HD3 H 3.192 0.003 . 365 43 43 ARG CA C 59.732 0.108 . 366 43 43 ARG CB C 29.582 0.178 . 367 43 43 ARG CG C 26.285 0.000 . 368 43 43 ARG CD C 42.811 0.000 . 369 43 43 ARG N N 123.409 0.023 . 370 44 44 ASP H H 8.908 0.002 . 371 44 44 ASP HA H 4.354 0.005 . 372 44 44 ASP HB2 H 2.642 0.007 . 373 44 44 ASP HB3 H 2.402 0.009 . 374 44 44 ASP CA C 56.759 0.078 . 375 44 44 ASP CB C 39.511 0.211 . 376 44 44 ASP N N 116.177 0.048 . 377 45 45 GLU H H 7.304 0.004 . 378 45 45 GLU HA H 4.270 0.005 . 379 45 45 GLU HB2 H 2.046 0.012 . 380 45 45 GLU HB3 H 1.882 0.010 . 381 45 45 GLU HG2 H 2.296 0.010 . 382 45 45 GLU HG3 H 2.105 0.007 . 383 45 45 GLU CA C 57.993 0.094 . 384 45 45 GLU CB C 29.253 0.236 . 385 45 45 GLU CG C 35.163 0.000 . 386 45 45 GLU N N 121.601 0.015 . 387 46 46 VAL H H 8.129 0.003 . 388 46 46 VAL HA H 3.264 0.009 . 389 46 46 VAL HB H 2.197 0.007 . 390 46 46 VAL HG1 H 0.871 0.008 . 391 46 46 VAL HG1 H 0.871 0.008 . 392 46 46 VAL HG2 H 0.752 0.006 . 393 46 46 VAL CA C 67.993 0.118 . 394 46 46 VAL CB C 31.430 0.190 . 395 46 46 VAL CG1 C 23.398 0.000 . 396 46 46 VAL CG2 C 21.137 0.000 . 397 46 46 VAL N N 124.210 0.023 . 398 47 47 GLU H H 8.216 0.003 . 399 47 47 GLU HA H 3.899 0.001 . 400 47 47 GLU HB2 H 2.064 0.011 . 401 47 47 GLU HB3 H 1.942 0.010 . 402 47 47 GLU HG2 H 2.368 0.003 . 403 47 47 GLU HG3 H 2.180 0.001 . 404 47 47 GLU CA C 59.869 0.079 . 405 47 47 GLU CB C 29.300 0.056 . 406 47 47 GLU CG C 36.036 0.000 . 407 47 47 GLU N N 118.593 0.026 . 408 48 48 ARG H H 7.869 0.006 . 409 48 48 ARG HA H 3.881 0.004 . 410 48 48 ARG HB2 H 1.899 0.006 . 411 48 48 ARG HB3 H 1.796 0.010 . 412 48 48 ARG HG2 H 1.531 0.016 . 413 48 48 ARG HG3 H 1.321 0.012 . 414 48 48 ARG HD2 H 3.165 0.027 . 415 48 48 ARG HD3 H 3.062 0.017 . 416 48 48 ARG CA C 59.773 0.112 . 417 48 48 ARG CB C 30.483 0.229 . 418 48 48 ARG CG C 27.314 0.000 . 419 48 48 ARG CD C 43.044 0.000 . 420 48 48 ARG N N 118.244 0.132 . 421 49 49 THR H H 8.084 0.003 . 422 49 49 THR HA H 4.321 0.009 . 423 49 49 THR HB H 3.764 0.017 . 424 49 49 THR HG2 H 1.180 0.016 . 425 49 49 THR CA C 67.086 0.000 . 426 49 49 THR CB C 68.584 0.169 . 427 49 49 THR CG2 C 20.642 0.000 . 428 49 49 THR N N 117.327 0.030 . 429 50 50 VAL H H 8.511 0.006 . 430 50 50 VAL HA H 4.004 0.184 . 431 50 50 VAL HB H 2.081 0.000 . 432 50 50 VAL HG1 H 0.972 0.034 . 433 50 50 VAL HG1 H 0.972 0.034 . 434 50 50 VAL HG2 H 0.918 0.024 . 435 50 50 VAL CA C 66.746 0.098 . 436 50 50 VAL CB C 31.554 0.184 . 437 50 50 VAL CG1 C 22.786 0.000 . 438 50 50 VAL N N 122.928 0.027 . 439 51 51 ARG H H 7.881 0.004 . 440 51 51 ARG HA H 4.171 0.005 . 441 51 51 ARG HB2 H 2.275 0.012 . 442 51 51 ARG HB3 H 1.897 0.013 . 443 51 51 ARG HG2 H 1.794 0.095 . 444 51 51 ARG HG3 H 1.794 0.095 . 445 51 51 ARG HD2 H 3.183 0.004 . 446 51 51 ARG HD3 H 3.183 0.004 . 447 51 51 ARG CA C 58.651 0.038 . 448 51 51 ARG CB C 30.073 0.194 . 449 51 51 ARG CG C 27.295 0.000 . 450 51 51 ARG CD C 43.345 0.000 . 451 51 51 ARG N N 118.012 0.030 . 452 52 52 SER H H 7.471 0.004 . 453 52 52 SER HA H 4.519 0.013 . 454 52 52 SER HB2 H 3.993 0.006 . 455 52 52 SER HB3 H 3.673 0.010 . 456 52 52 SER CA C 58.845 0.027 . 457 52 52 SER CB C 64.354 0.018 . 458 52 52 SER N N 112.964 0.012 . 459 53 53 MET H H 7.633 0.011 . 460 53 53 MET HA H 4.393 0.004 . 461 53 53 MET HB2 H 2.068 0.004 . 462 53 53 MET HB3 H 1.902 0.005 . 463 53 53 MET HG2 H 2.706 0.006 . 464 53 53 MET HG3 H 2.626 0.005 . 465 53 53 MET HE H 2.412 0.004 . 466 53 53 MET CA C 55.172 0.020 . 467 53 53 MET CB C 35.889 0.229 . 468 53 53 MET CG C 31.147 0.000 . 469 53 53 MET N N 122.032 0.047 . 470 54 54 ASN H H 8.758 0.004 . 471 54 54 ASN HA H 4.907 0.006 . 472 54 54 ASN HB2 H 2.685 0.012 . 473 54 54 ASN HB3 H 2.551 0.007 . 474 54 54 ASN CA C 52.618 0.031 . 475 54 54 ASN CB C 38.561 0.178 . 476 54 54 ASN N N 119.710 0.043 . 477 55 55 THR H H 8.032 0.003 . 478 55 55 THR HA H 4.551 0.010 . 479 55 55 THR HB H 4.131 0.016 . 480 55 55 THR HG2 H 0.998 0.010 . 481 55 55 THR HG2 H 0.998 0.010 . 482 55 55 THR HG2 H 0.998 0.010 . 483 55 55 THR CA C 60.411 0.028 . 484 55 55 THR CB C 71.030 0.069 . 485 55 55 THR N N 113.070 0.043 . 486 56 56 ASN H H 9.053 0.003 . 487 56 56 ASN HA H 4.755 0.019 . 488 56 56 ASN HB2 H 3.523 0.011 . 489 56 56 ASN HB3 H 2.887 0.014 . 490 56 56 ASN CA C 51.393 0.052 . 491 56 56 ASN CB C 38.409 0.046 . 492 56 56 ASN N N 119.293 0.027 . 493 57 57 ALA H H 8.500 0.021 . 494 57 57 ALA HA H 4.139 0.005 . 495 57 57 ALA HB H 1.400 0.012 . 496 57 57 ALA CA C 54.935 0.091 . 497 57 57 ALA CB C 18.467 0.363 . 498 57 57 ALA N N 120.868 0.023 . 499 58 58 ASN H H 7.731 0.003 . 500 58 58 ASN HA H 4.890 0.014 . 501 58 58 ASN HB2 H 3.015 0.004 . 502 58 58 ASN HB3 H 2.552 0.008 . 503 58 58 ASN CA C 52.765 0.065 . 504 58 58 ASN CB C 39.419 0.197 . 505 58 58 ASN N N 113.603 0.036 . 506 59 59 GLY H H 8.380 0.013 . 507 59 59 GLY HA2 H 3.729 0.012 . 508 59 59 GLY HA3 H 3.576 0.010 . 509 59 59 GLY CA C 45.796 0.047 . 510 59 59 GLY N N 108.563 0.032 . 511 60 60 LEU H H 7.580 0.004 . 512 60 60 LEU HA H 4.665 0.007 . 513 60 60 LEU HB2 H 1.494 0.008 . 514 60 60 LEU HB3 H 1.330 0.018 . 515 60 60 LEU HG H 1.430 0.002 . 516 60 60 LEU HD1 H 0.924 0.020 . 517 60 60 LEU HD1 H 0.924 0.020 . 518 60 60 LEU HD2 H 0.777 0.031 . 519 60 60 LEU HD2 H 0.777 0.031 . 520 60 60 LEU CA C 53.446 0.060 . 521 60 60 LEU CB C 44.471 0.061 . 522 60 60 LEU N N 119.390 0.028 . 523 61 61 ILE H H 9.416 0.004 . 524 61 61 ILE HA H 4.239 0.004 . 525 61 61 ILE HB H 1.909 0.005 . 526 61 61 ILE HG12 H 1.510 0.009 . 527 61 61 ILE HG13 H 1.402 0.005 . 528 61 61 ILE HG2 H 1.065 0.044 . 529 61 61 ILE HG2 H 1.065 0.044 . 530 61 61 ILE HD1 H 0.854 0.011 . 531 61 61 ILE CA C 61.321 0.086 . 532 61 61 ILE CB C 39.661 0.102 . 533 61 61 ILE CG1 C 27.964 0.000 . 534 61 61 ILE CG2 C 19.506 0.000 . 535 61 61 ILE CD1 C 14.432 0.000 . 536 61 61 ILE N N 120.795 0.030 . 537 62 62 GLU H H 8.892 0.003 . 538 62 62 GLU HA H 5.156 0.013 . 539 62 62 GLU HB2 H 2.373 0.018 . 540 62 62 GLU HB3 H 2.103 0.016 . 541 62 62 GLU HG2 H 2.442 0.015 . 542 62 62 GLU HG3 H 2.258 0.012 . 543 62 62 GLU CA C 55.345 0.023 . 544 62 62 GLU CB C 30.980 0.055 . 545 62 62 GLU N N 125.428 0.038 . 546 63 63 TYR H H 8.587 0.010 . 547 63 63 TYR HA H 3.027 0.005 . 548 63 63 TYR HB2 H 2.400 0.008 . 549 63 63 TYR HB3 H 2.073 0.008 . 550 63 63 TYR CA C 63.247 0.081 . 551 63 63 TYR CB C 38.032 0.037 . 552 63 63 TYR N N 120.500 0.030 . 553 64 64 GLY H H 8.876 0.003 . 554 64 64 GLY HA2 H 3.816 0.004 . 555 64 64 GLY HA3 H 3.452 0.035 . 556 64 64 GLY CA C 47.359 0.165 . 557 64 64 GLY N N 104.445 0.037 . 558 65 65 GLU H H 7.157 0.008 . 559 65 65 GLU HA H 4.224 0.001 . 560 65 65 GLU HB2 H 2.118 0.015 . 561 65 65 GLU HB3 H 2.002 0.010 . 562 65 65 GLU HG2 H 2.657 0.012 . 563 65 65 GLU HG3 H 2.498 0.010 . 564 65 65 GLU CA C 58.026 0.046 . 565 65 65 GLU CB C 30.002 0.266 . 566 65 65 GLU CG C 36.363 0.000 . 567 65 65 GLU N N 120.171 0.032 . 568 66 66 PHE H H 7.809 0.003 . 569 66 66 PHE HA H 3.972 0.004 . 570 66 66 PHE HB2 H 3.002 0.014 . 571 66 66 PHE HB3 H 2.782 0.018 . 572 66 66 PHE CA C 62.013 0.062 . 573 66 66 PHE CB C 39.549 0.088 . 574 66 66 PHE N N 121.922 0.037 . 575 67 67 GLU H H 8.946 0.004 . 576 67 67 GLU HA H 3.296 0.011 . 577 67 67 GLU HB2 H 1.708 0.183 . 578 67 67 GLU HB3 H 1.440 0.013 . 579 67 67 GLU HG2 H 2.165 0.012 . 580 67 67 GLU HG3 H 1.937 0.012 . 581 67 67 GLU CA C 60.028 0.082 . 582 67 67 GLU CB C 29.144 0.260 . 583 67 67 GLU CG C 36.568 0.000 . 584 67 67 GLU N N 118.889 0.029 . 585 68 68 ARG H H 7.484 0.006 . 586 68 68 ARG HA H 3.838 0.004 . 587 68 68 ARG HB2 H 1.859 0.016 . 588 68 68 ARG HB3 H 1.668 0.012 . 589 68 68 ARG HG2 H 1.675 0.000 . 590 68 68 ARG HG3 H 1.675 0.000 . 591 68 68 ARG HD2 H 3.208 0.003 . 592 68 68 ARG HD3 H 3.012 0.003 . 593 68 68 ARG CA C 59.700 0.000 . 594 68 68 ARG CB C 29.859 0.166 . 595 68 68 ARG CG C 26.707 0.000 . 596 68 68 ARG CD C 42.974 0.000 . 597 68 68 ARG N N 117.629 0.038 . 598 69 69 MET H H 7.801 0.005 . 599 69 69 MET HA H 3.966 0.013 . 600 69 69 MET HB2 H 2.059 0.008 . 601 69 69 MET HB3 H 1.842 0.007 . 602 69 69 MET HG2 H 2.671 0.007 . 603 69 69 MET HG3 H 2.378 0.012 . 604 69 69 MET HE H 2.025 0.000 . 605 69 69 MET CA C 59.086 0.061 . 606 69 69 MET CB C 30.210 0.000 . 607 69 69 MET CG C 30.829 0.000 . 608 69 69 MET N N 121.082 0.058 . 609 70 70 VAL H H 8.420 0.007 . 610 70 70 VAL HA H 3.058 0.016 . 611 70 70 VAL HB H 1.741 0.012 . 612 70 70 VAL HG1 H 0.808 0.007 . 613 70 70 VAL HG1 H 0.808 0.007 . 614 70 70 VAL HG2 H 0.175 0.006 . 615 70 70 VAL HG2 H 0.175 0.006 . 616 70 70 VAL CA C 67.299 0.075 . 617 70 70 VAL CB C 31.171 0.183 . 618 70 70 VAL CG1 C 21.873 0.000 . 619 70 70 VAL N N 121.790 0.078 . 620 71 71 LYS H H 8.393 0.003 . 621 71 71 LYS HA H 3.276 0.025 . 622 71 71 LYS HB2 H 1.454 0.007 . 623 71 71 LYS HB3 H 1.322 0.008 . 624 71 71 LYS HG2 H 1.095 0.012 . 625 71 71 LYS HG3 H 1.095 0.012 . 626 71 71 LYS HD2 H 1.275 0.003 . 627 71 71 LYS HD3 H 1.275 0.003 . 628 71 71 LYS HE2 H 2.715 0.002 . 629 71 71 LYS HE3 H 2.715 0.002 . 630 71 71 LYS CA C 60.286 0.139 . 631 71 71 LYS CB C 31.710 0.101 . 632 71 71 LYS CG C 24.429 0.000 . 633 71 71 LYS N N 117.980 0.048 . 634 72 72 SER H H 7.407 0.023 . 635 72 72 SER HA H 4.304 0.005 . 636 72 72 SER HB2 H 3.976 0.014 . 637 72 72 SER HB3 H 3.636 0.012 . 638 72 72 SER CA C 61.233 0.140 . 639 72 72 SER CB C 62.857 0.146 . 640 72 72 SER N N 114.024 0.027 . 641 73 73 ARG H H 7.992 0.004 . 642 73 73 ARG HA H 4.104 0.010 . 643 73 73 ARG HB2 H 1.693 0.006 . 644 73 73 ARG HB3 H 1.502 0.008 . 645 73 73 ARG HG2 H 1.553 0.025 . 646 73 73 ARG HG3 H 1.422 0.024 . 647 73 73 ARG HD2 H 2.775 0.006 . 648 73 73 ARG HD3 H 2.775 0.012 . 649 73 73 ARG CA C 58.165 0.039 . 650 73 73 ARG CB C 30.074 0.246 . 651 73 73 ARG CG C 27.392 0.000 . 652 73 73 ARG CD C 42.673 0.000 . 653 73 73 ARG N N 122.123 0.056 . 654 74 74 MET H H 8.244 0.002 . 655 74 74 MET HA H 4.356 0.011 . 656 74 74 MET HB2 H 2.213 0.007 . 657 74 74 MET HB3 H 2.024 0.005 . 658 74 74 MET HG2 H 2.758 0.008 . 659 74 74 MET HG3 H 2.542 0.008 . 660 74 74 MET HE H 2.352 0.002 . 661 74 74 MET CA C 57.415 0.063 . 662 74 74 MET CB C 32.639 0.067 . 663 74 74 MET N N 118.124 0.046 . 664 75 75 ALA H H 7.699 0.004 . 665 75 75 ALA HA H 4.295 0.022 . 666 75 75 ALA HB H 1.470 0.008 . 667 75 75 ALA HB H 1.320 0.005 . 668 75 75 ALA HB H 1.152 0.006 . 669 75 75 ALA CA C 53.329 0.060 . 670 75 75 ALA CB C 18.709 0.344 . 671 75 75 ALA N N 121.889 0.034 . 672 76 76 GLN H H 7.835 0.003 . 673 76 76 GLN HA H 4.220 0.003 . 674 76 76 GLN HB2 H 2.096 0.014 . 675 76 76 GLN HB3 H 1.866 0.016 . 676 76 76 GLN HG2 H 2.420 0.006 . 677 76 76 GLN HG3 H 2.282 0.006 . 678 76 76 GLN CA C 56.738 0.091 . 679 76 76 GLN CB C 29.200 0.074 . 680 76 76 GLN CG C 33.354 0.000 . 681 76 76 GLN N N 117.882 0.016 . 682 77 77 LYS H H 8.061 0.006 . 683 77 77 LYS HA H 4.246 0.004 . 684 77 77 LYS HB2 H 1.933 0.039 . 685 77 77 LYS HB3 H 2.136 0.024 . 686 77 77 LYS HG2 H 1.153 0.074 . 687 77 77 LYS HG3 H 1.153 0.074 . 688 77 77 LYS HD2 H 1.744 0.025 . 689 77 77 LYS HD3 H 1.659 0.008 . 690 77 77 LYS HE2 H 2.984 0.021 . 691 77 77 LYS HE3 H 2.984 0.021 . 692 77 77 LYS CA C 57.032 0.024 . 693 77 77 LYS CB C 32.843 0.064 . 694 77 77 LYS N N 120.943 0.045 . 695 78 78 ASP H H 8.160 0.005 . 696 78 78 ASP HA H 4.636 0.008 . 697 78 78 ASP HB2 H 2.648 0.006 . 698 78 78 ASP HB3 H 2.320 0.008 . 699 78 78 ASP CA C 54.103 0.080 . 700 78 78 ASP CB C 41.127 0.162 . 701 78 78 ASP N N 119.226 0.091 . 702 79 79 SER H H 8.081 0.004 . 703 79 79 SER HA H 4.771 0.005 . 704 79 79 SER HB2 H 3.947 0.019 . 705 79 79 SER HB3 H 3.947 0.019 . 706 79 79 SER CA C 56.594 0.000 . 707 79 79 SER CB C 63.490 0.000 . 708 79 79 SER N N 116.752 0.025 . 709 80 80 PRO HA H 4.412 0.002 . 710 80 80 PRO HB2 H 2.266 0.007 . 711 80 80 PRO HB3 H 1.934 0.007 . 712 80 80 PRO HG2 H 1.976 0.003 . 713 80 80 PRO HG3 H 1.976 0.003 . 714 80 80 PRO HD2 H 3.741 0.004 . 715 80 80 PRO HD3 H 3.741 0.004 . 716 80 80 PRO CA C 63.735 0.016 . 717 80 80 PRO CB C 32.023 0.243 . 718 80 80 PRO CG C 26.950 0.000 . 719 80 80 PRO CD C 50.853 0.000 . 720 81 81 GLU H H 8.479 0.003 . 721 81 81 GLU HA H 4.293 0.008 . 722 81 81 GLU HB2 H 1.952 0.018 . 723 81 81 GLU HB3 H 1.782 0.016 . 724 81 81 GLU HG2 H 2.588 0.012 . 725 81 81 GLU HG3 H 2.219 0.014 . 726 81 81 GLU CA C 56.585 0.038 . 727 81 81 GLU CB C 30.338 0.001 . 728 81 81 GLU N N 120.385 0.033 . 729 82 82 GLU H H 8.212 0.004 . 730 82 82 GLU HA H 4.251 0.005 . 731 82 82 GLU HB2 H 1.968 0.015 . 732 82 82 GLU HB3 H 1.704 0.023 . 733 82 82 GLU HG2 H 2.213 0.013 . 734 82 82 GLU HG3 H 2.010 0.013 . 735 82 82 GLU CA C 56.572 0.105 . 736 82 82 GLU CB C 30.438 0.010 . 737 82 82 GLU CG C 35.703 0.097 . 738 82 82 GLU N N 121.767 0.084 . 739 83 83 VAL H H 8.107 0.004 . 740 83 83 VAL HA H 4.028 0.005 . 741 83 83 VAL HB H 2.049 0.003 . 742 83 83 VAL HG1 H 0.927 0.010 . 743 83 83 VAL HG2 H 0.765 0.008 . 744 83 83 VAL CA C 62.688 0.076 . 745 83 83 VAL CB C 32.482 0.228 . 746 83 83 VAL CG1 C 20.630 0.000 . 747 83 83 VAL N N 121.793 0.076 . 748 84 84 LEU H H 8.240 0.010 . 749 84 84 LEU HA H 4.312 0.006 . 750 84 84 LEU HB2 H 1.576 0.015 . 751 84 84 LEU HB3 H 1.472 0.012 . 752 84 84 LEU HG H 1.532 0.002 . 753 84 84 LEU HD1 H 0.847 0.006 . 754 84 84 LEU HD2 H 0.625 0.007 . 755 84 84 LEU CA C 55.020 0.244 . 756 84 84 LEU CB C 41.975 0.192 . 757 84 84 LEU CG C 23.648 0.000 . 758 84 84 LEU CD1 C 22.735 0.000 . 759 84 84 LEU CD2 C 22.735 0.000 . 760 84 84 LEU N N 125.707 0.049 . 761 85 85 LYS H H 8.173 0.004 . 762 85 85 LYS HA H 4.228 0.014 . 763 85 85 LYS HB2 H 1.670 0.004 . 764 85 85 LYS HB3 H 1.523 0.004 . 765 85 85 LYS HG2 H 1.343 0.004 . 766 85 85 LYS HG3 H 1.128 0.008 . 767 85 85 LYS HD2 H 1.482 0.004 . 768 85 85 LYS HD3 H 1.482 0.004 . 769 85 85 LYS HE2 H 2.927 0.002 . 770 85 85 LYS HE3 H 2.927 0.002 . 771 85 85 LYS CA C 56.088 0.012 . 772 85 85 LYS CB C 32.980 0.251 . 773 85 85 LYS CG C 24.012 0.000 . 774 85 85 LYS CD C 28.384 0.000 . 775 85 85 LYS N N 122.738 0.072 . 776 86 86 ALA H H 8.168 0.004 . 777 86 86 ALA HA H 4.251 0.009 . 778 86 86 ALA HB H 1.304 0.005 . 779 86 86 ALA CA C 52.482 0.084 . 780 86 86 ALA CB C 19.409 0.213 . 781 86 86 ALA N N 125.928 0.067 . 782 87 87 PHE H H 7.588 0.015 . 783 87 87 PHE HA H 4.558 0.009 . 784 87 87 PHE HB2 H 3.206 0.015 . 785 87 87 PHE HB3 H 2.018 0.006 . 786 87 87 PHE CA C 58.932 0.034 . 787 87 87 PHE CB C 40.330 0.012 . 788 87 87 PHE N N 123.709 0.030 . 789 88 88 GLN H H 8.049 0.003 . 790 88 88 GLN HA H 4.320 0.004 . 791 88 88 GLN HB2 H 2.451 0.012 . 792 88 88 GLN HB3 H 2.285 0.012 . 793 88 88 GLN HG2 H 2.680 0.006 . 794 88 88 GLN HG3 H 2.516 0.006 . 795 88 88 GLN CA C 58.542 0.045 . 796 88 88 GLN CB C 27.235 0.054 . 797 88 88 GLN CG C 32.254 0.000 . 798 88 88 GLN N N 119.320 0.016 . 799 89 89 LEU H H 7.761 0.289 . 800 89 89 LEU HA H 3.915 0.005 . 801 89 89 LEU HB2 H 1.663 0.006 . 802 89 89 LEU HB3 H 1.489 0.008 . 803 89 89 LEU HG H 1.228 0.002 . 804 89 89 LEU HD1 H 0.811 0.032 . 805 89 89 LEU HD2 H 0.662 0.020 . 806 89 89 LEU CA C 56.992 0.026 . 807 89 89 LEU CB C 41.809 0.032 . 808 89 89 LEU N N 119.414 0.334 . 809 90 90 PHE H H 7.310 0.007 . 810 90 90 PHE HA H 4.833 0.006 . 811 90 90 PHE HB2 H 3.111 0.021 . 812 90 90 PHE HB3 H 2.892 0.020 . 813 90 90 PHE CA C 58.243 0.026 . 814 90 90 PHE CB C 39.611 0.031 . 815 90 90 PHE N N 114.399 0.048 . 816 91 91 ASP H H 8.359 0.012 . 817 91 91 ASP HA H 4.004 0.007 . 818 91 91 ASP HB2 H 2.722 0.009 . 819 91 91 ASP HB3 H 2.564 0.012 . 820 91 91 ASP CA C 52.623 0.007 . 821 91 91 ASP CB C 41.476 0.003 . 822 91 91 ASP N N 118.872 0.026 . 823 92 92 LEU H H 7.911 0.013 . 824 92 92 LEU HA H 3.977 0.007 . 825 92 92 LEU HB2 H 1.536 0.023 . 826 92 92 LEU HB3 H 1.386 0.016 . 827 92 92 LEU HG H 1.113 0.000 . 828 92 92 LEU HD1 H 0.799 0.007 . 829 92 92 LEU HD2 H 0.759 0.004 . 830 92 92 LEU CA C 57.582 0.009 . 831 92 92 LEU CB C 42.099 0.079 . 832 92 92 LEU CD1 C 21.952 0.000 . 833 92 92 LEU CD2 C 21.952 0.000 . 834 92 92 LEU N N 123.109 0.025 . 835 93 93 ASP H H 8.665 0.006 . 836 93 93 ASP HA H 4.582 0.026 . 837 93 93 ASP HB2 H 2.627 0.009 . 838 93 93 ASP HB3 H 2.458 0.008 . 839 93 93 ASP CA C 54.443 0.238 . 840 93 93 ASP CB C 40.844 0.214 . 841 93 93 ASP N N 116.952 0.071 . 842 94 94 LYS H H 7.948 0.003 . 843 94 94 LYS HA H 4.348 0.016 . 844 94 94 LYS HB2 H 1.732 0.013 . 845 94 94 LYS HB3 H 1.523 0.008 . 846 94 94 LYS HG2 H 1.462 0.004 . 847 94 94 LYS HG3 H 1.462 0.004 . 848 94 94 LYS HD2 H 1.420 0.006 . 849 94 94 LYS HD3 H 1.420 0.006 . 850 94 94 LYS HE2 H 2.973 0.002 . 851 94 94 LYS HE3 H 2.973 0.002 . 852 94 94 LYS CA C 58.432 0.025 . 853 94 94 LYS CB C 32.328 0.014 . 854 94 94 LYS CG C 24.342 0.000 . 855 94 94 LYS CD C 29.182 0.000 . 856 94 94 LYS N N 120.057 0.035 . 857 95 95 LYS H H 8.126 0.018 . 858 95 95 LYS HA H 4.254 0.008 . 859 95 95 LYS HB2 H 1.820 0.020 . 860 95 95 LYS HB3 H 1.680 0.022 . 861 95 95 LYS HG2 H 1.400 0.013 . 862 95 95 LYS HG3 H 1.248 0.010 . 863 95 95 LYS HD2 H 1.668 0.005 . 864 95 95 LYS HD3 H 1.542 0.006 . 865 95 95 LYS HE2 H 2.947 0.008 . 866 95 95 LYS HE3 H 2.812 0.005 . 867 95 95 LYS CA C 56.688 0.020 . 868 95 95 LYS CB C 32.577 0.024 . 869 95 95 LYS CG C 24.145 0.000 . 870 95 95 LYS CD C 28.446 0.000 . 871 95 95 LYS N N 119.252 0.056 . 872 96 96 GLY H H 8.340 0.011 . 873 96 96 GLY HA2 H 3.854 0.019 . 874 96 96 GLY HA3 H 3.775 0.023 . 875 96 96 GLY CA C 45.685 0.192 . 876 96 96 GLY N N 109.468 0.032 . 877 97 97 LYS H H 8.055 0.003 . 878 97 97 LYS HA H 4.284 0.019 . 879 97 97 LYS HB2 H 1.787 0.014 . 880 97 97 LYS HB3 H 1.603 0.012 . 881 97 97 LYS HG2 H 1.360 0.003 . 882 97 97 LYS HG3 H 1.360 0.003 . 883 97 97 LYS HD2 H 1.512 0.005 . 884 97 97 LYS HD3 H 1.512 0.005 . 885 97 97 LYS HE2 H 2.891 0.002 . 886 97 97 LYS HE3 H 2.891 0.002 . 887 97 97 LYS CA C 54.906 0.084 . 888 97 97 LYS CB C 33.326 0.037 . 889 97 97 LYS CG C 24.563 0.000 . 890 97 97 LYS CD C 28.188 0.000 . 891 97 97 LYS N N 119.299 0.029 . 892 98 98 ILE H H 8.937 0.008 . 893 98 98 ILE HA H 4.648 0.016 . 894 98 98 ILE HB H 1.842 0.020 . 895 98 98 ILE HG12 H 1.645 0.005 . 896 98 98 ILE HG13 H 1.522 0.008 . 897 98 98 ILE HG2 H 1.198 0.017 . 898 98 98 ILE HD1 H 0.883 0.009 . 899 98 98 ILE CA C 59.292 0.024 . 900 98 98 ILE CB C 38.642 0.032 . 901 98 98 ILE N N 118.254 0.036 . 902 99 99 SER H H 8.505 0.004 . 903 99 99 SER HA H 4.758 0.009 . 904 99 99 SER HB2 H 4.269 0.008 . 905 99 99 SER HB3 H 3.965 0.005 . 906 99 99 SER CA C 57.009 0.039 . 907 99 99 SER CB C 65.036 0.064 . 908 99 99 SER N N 117.374 0.033 . 909 100 100 PHE H H 8.654 0.006 . 910 100 100 PHE HA H 4.205 0.040 . 911 100 100 PHE HB2 H 3.083 0.011 . 912 100 100 PHE HB3 H 2.880 0.012 . 913 100 100 PHE CA C 61.219 0.089 . 914 100 100 PHE CB C 38.597 0.008 . 915 100 100 PHE N N 122.670 0.041 . 916 101 101 ALA H H 8.561 0.009 . 917 101 101 ALA HA H 4.009 0.011 . 918 101 101 ALA HB H 1.397 0.005 . 919 101 101 ALA CA C 55.078 0.044 . 920 101 101 ALA CB C 18.295 0.060 . 921 101 101 ALA N N 120.155 0.048 . 922 102 102 ASN H H 7.803 0.004 . 923 102 102 ASN HA H 4.533 0.077 . 924 102 102 ASN HB2 H 2.691 0.011 . 925 102 102 ASN HB3 H 2.294 0.012 . 926 102 102 ASN CA C 54.546 0.082 . 927 102 102 ASN CB C 38.770 0.074 . 928 102 102 ASN N N 115.147 0.040 . 929 103 103 LEU H H 8.183 0.005 . 930 103 103 LEU HA H 3.826 0.009 . 931 103 103 LEU HB2 H 1.615 0.015 . 932 103 103 LEU HB3 H 1.487 0.012 . 933 103 103 LEU HG H 1.663 0.004 . 934 103 103 LEU HD1 H 0.879 0.016 . 935 103 103 LEU HD2 H 0.758 0.012 . 936 103 103 LEU CA C 58.749 0.071 . 937 103 103 LEU CB C 41.648 0.014 . 938 103 103 LEU CD2 C 24.825 0.000 . 939 103 103 LEU N N 122.995 0.059 . 940 104 104 LYS H H 8.016 0.005 . 941 104 104 LYS HA H 3.710 0.006 . 942 104 104 LYS HB2 H 1.778 0.007 . 943 104 104 LYS HG2 H 1.370 0.003 . 944 104 104 LYS HG3 H 1.370 0.003 . 945 104 104 LYS HD2 H 1.643 0.002 . 946 104 104 LYS HD3 H 1.643 0.002 . 947 104 104 LYS HE2 H 2.887 0.001 . 948 104 104 LYS HE3 H 2.682 0.003 . 949 104 104 LYS CA C 60.246 0.139 . 950 104 104 LYS CB C 32.004 0.095 . 951 104 104 LYS CG C 25.043 0.000 . 952 104 104 LYS CD C 28.550 0.000 . 953 104 104 LYS N N 117.379 0.073 . 954 105 105 GLU H H 7.220 0.017 . 955 105 105 GLU HA H 4.027 0.007 . 956 105 105 GLU HB2 H 2.142 0.004 . 957 105 105 GLU HB3 H 1.968 0.007 . 958 105 105 GLU HG2 H 2.309 0.012 . 959 105 105 GLU HG3 H 2.182 0.013 . 960 105 105 GLU CA C 58.604 0.152 . 961 105 105 GLU CB C 29.314 0.059 . 962 105 105 GLU CG C 35.352 0.000 . 963 105 105 GLU N N 117.563 0.054 . 964 106 106 VAL H H 7.954 0.007 . 965 106 106 VAL HA H 3.553 0.005 . 966 106 106 VAL HB H 1.925 0.007 . 967 106 106 VAL HG1 H 0.854 0.016 . 968 106 106 VAL HG1 H 0.854 0.016 . 969 106 106 VAL HG2 H 0.728 0.015 . 970 106 106 VAL HG2 H 0.728 0.015 . 971 106 106 VAL HG2 H 0.728 0.015 . 972 106 106 VAL CA C 66.229 0.104 . 973 106 106 VAL CB C 31.317 0.076 . 974 106 106 VAL CG1 C 22.764 0.000 . 975 106 106 VAL N N 120.741 0.039 . 976 107 107 ALA H H 8.280 0.007 . 977 107 107 ALA HA H 3.921 0.011 . 978 107 107 ALA HB H 1.369 0.011 . 979 107 107 ALA HB H 1.369 0.011 . 980 107 107 ALA CA C 55.663 0.049 . 981 107 107 ALA CB C 17.566 0.172 . 982 107 107 ALA N N 120.907 0.048 . 983 108 108 LYS H H 7.605 0.009 . 984 108 108 LYS HA H 4.243 0.017 . 985 108 108 LYS HB2 H 1.952 0.016 . 986 108 108 LYS HB3 H 1.821 0.010 . 987 108 108 LYS HG2 H 1.435 0.016 . 988 108 108 LYS HG3 H 1.435 0.016 . 989 108 108 LYS HD2 H 1.674 0.005 . 990 108 108 LYS HD3 H 1.674 0.005 . 991 108 108 LYS HE2 H 2.922 0.011 . 992 108 108 LYS HE3 H 2.922 0.011 . 993 108 108 LYS CA C 59.255 0.011 . 994 108 108 LYS CB C 32.428 0.049 . 995 108 108 LYS N N 116.787 0.027 . 996 109 109 LEU H H 7.893 0.005 . 997 109 109 LEU HA H 4.195 0.013 . 998 109 109 LEU HB2 H 2.056 0.006 . 999 109 109 LEU HB3 H 1.740 0.012 . 1000 109 109 LEU HG H 1.787 0.000 . 1001 109 109 LEU HD1 H 0.997 0.017 . 1002 109 109 LEU HD2 H 0.836 0.015 . 1003 109 109 LEU CA C 57.515 0.035 . 1004 109 109 LEU CB C 42.015 0.024 . 1005 109 109 LEU N N 121.714 0.070 . 1006 110 110 LEU H H 7.684 0.004 . 1007 110 110 LEU HA H 4.348 0.005 . 1008 110 110 LEU HB2 H 1.842 0.004 . 1009 110 110 LEU HB3 H 1.662 0.006 . 1010 110 110 LEU HG H 1.833 0.001 . 1011 110 110 LEU HD1 H 0.900 0.043 . 1012 110 110 LEU HD1 H 0.900 0.043 . 1013 110 110 LEU HD2 H 0.801 0.000 . 1014 110 110 LEU HD2 H 0.801 0.000 . 1015 110 110 LEU HD2 H 0.801 0.000 . 1016 110 110 LEU CA C 54.917 0.032 . 1017 110 110 LEU CB C 42.099 0.032 . 1018 110 110 LEU N N 117.530 0.028 . 1019 111 111 GLY H H 7.920 0.005 . 1020 111 111 GLY HA2 H 4.152 0.018 . 1021 111 111 GLY HA3 H 3.800 0.018 . 1022 111 111 GLY CA C 45.777 0.027 . 1023 111 111 GLY N N 107.233 0.045 . 1024 112 112 GLU H H 8.125 0.005 . 1025 112 112 GLU HA H 4.504 0.011 . 1026 112 112 GLU HB2 H 2.027 0.011 . 1027 112 112 GLU HB3 H 1.599 0.009 . 1028 112 112 GLU HG2 H 2.322 0.016 . 1029 112 112 GLU HG3 H 2.098 0.012 . 1030 112 112 GLU CA C 54.825 0.063 . 1031 112 112 GLU CB C 31.080 0.087 . 1032 112 112 GLU CG C 34.593 0.000 . 1033 112 112 GLU N N 119.092 0.038 . 1034 113 113 ASN H H 8.694 0.004 . 1035 113 113 ASN HA H 4.756 0.004 . 1036 113 113 ASN HB2 H 2.811 0.012 . 1037 113 113 ASN HB3 H 2.597 0.010 . 1038 113 113 ASN CA C 50.977 0.021 . 1039 113 113 ASN CB C 39.385 0.016 . 1040 113 113 ASN N N 118.184 0.028 . 1041 114 114 PRO HA H 4.410 0.003 . 1042 114 114 PRO HB2 H 2.564 0.667 . 1043 114 114 PRO HB3 H 1.909 0.012 . 1044 114 114 PRO HG2 H 2.064 0.010 . 1045 114 114 PRO HG3 H 2.064 0.010 . 1046 114 114 PRO HD2 H 3.729 0.016 . 1047 114 114 PRO HD3 H 3.598 0.019 . 1048 114 114 PRO CA C 63.541 0.129 . 1049 114 114 PRO CB C 31.858 0.226 . 1050 114 114 PRO CG C 26.667 0.000 . 1051 114 114 PRO CD C 50.012 0.000 . 1052 115 115 GLY H H 8.312 0.003 . 1053 115 115 GLY HA2 H 4.277 0.009 . 1054 115 115 GLY HA3 H 3.976 0.008 . 1055 115 115 GLY CA C 44.708 0.127 . 1056 115 115 GLY N N 108.306 0.031 . 1057 116 116 ASP H H 8.431 0.005 . 1058 116 116 ASP HA H 4.392 0.018 . 1059 116 116 ASP HB2 H 2.673 0.005 . 1060 116 116 ASP HB3 H 2.453 0.006 . 1061 116 116 ASP CA C 57.105 0.031 . 1062 116 116 ASP CB C 41.028 0.201 . 1063 116 116 ASP N N 121.568 0.101 . 1064 117 117 ASP H H 8.702 0.005 . 1065 117 117 ASP HA H 4.338 0.004 . 1066 117 117 ASP HB2 H 2.674 0.024 . 1067 117 117 ASP HB3 H 2.633 0.020 . 1068 117 117 ASP CA C 56.690 0.016 . 1069 117 117 ASP CB C 39.412 0.236 . 1070 117 117 ASP N N 119.249 0.041 . 1071 118 118 VAL H H 7.776 0.004 . 1072 118 118 VAL HA H 3.776 0.025 . 1073 118 118 VAL HB H 2.018 0.001 . 1074 118 118 VAL HG1 H 0.935 0.006 . 1075 118 118 VAL HG2 H 0.789 0.008 . 1076 118 118 VAL HG2 H 0.789 0.008 . 1077 118 118 VAL CA C 65.277 0.114 . 1078 118 118 VAL CB C 31.885 0.060 . 1079 118 118 VAL N N 121.506 0.052 . 1080 119 119 LEU H H 7.845 0.005 . 1081 119 119 LEU HA H 4.033 0.003 . 1082 119 119 LEU HB2 H 1.796 0.009 . 1083 119 119 LEU HB3 H 1.555 0.008 . 1084 119 119 LEU HG H 1.594 0.007 . 1085 119 119 LEU HD1 H 0.790 0.009 . 1086 119 119 LEU HD2 H 0.645 0.005 . 1087 119 119 LEU HD2 H 0.645 0.005 . 1088 119 119 LEU CA C 57.914 0.056 . 1089 119 119 LEU CB C 41.654 0.047 . 1090 119 119 LEU N N 119.838 0.050 . 1091 120 120 GLN H H 8.181 0.003 . 1092 120 120 GLN HA H 3.915 0.013 . 1093 120 120 GLN HB2 H 2.104 0.004 . 1094 120 120 GLN HB3 H 1.956 0.005 . 1095 120 120 GLN HG2 H 2.374 0.007 . 1096 120 120 GLN HG3 H 2.374 0.007 . 1097 120 120 GLN CA C 58.771 0.045 . 1098 120 120 GLN CB C 28.291 0.061 . 1099 120 120 GLN CG C 33.348 0.000 . 1100 120 120 GLN N N 116.762 0.039 . 1101 121 121 GLU H H 7.773 0.003 . 1102 121 121 GLU HA H 4.083 0.013 . 1103 121 121 GLU HB2 H 2.107 0.020 . 1104 121 121 GLU HB3 H 2.002 0.012 . 1105 121 121 GLU HG2 H 2.304 0.030 . 1106 121 121 GLU HG3 H 2.128 0.016 . 1107 121 121 GLU CA C 59.024 0.055 . 1108 121 121 GLU CB C 29.543 0.148 . 1109 121 121 GLU CG C 35.847 0.000 . 1110 121 121 GLU N N 119.093 0.028 . 1111 122 122 MET H H 7.898 0.007 . 1112 122 122 MET HA H 4.602 0.006 . 1113 122 122 MET HB2 H 2.264 0.008 . 1114 122 122 MET HB3 H 1.936 0.005 . 1115 122 122 MET HG2 H 2.542 0.012 . 1116 122 122 MET HG3 H 2.368 0.008 . 1117 122 122 MET CA C 53.173 0.012 . 1118 122 122 MET CB C 34.173 0.020 . 1119 122 122 MET N N 120.440 0.065 . 1120 123 123 ILE H H 7.914 0.011 . 1121 123 123 ILE HA H 3.641 0.003 . 1122 123 123 ILE HB H 1.774 0.008 . 1123 123 123 ILE HG12 H 1.362 0.012 . 1124 123 123 ILE HG13 H 1.128 0.010 . 1125 123 123 ILE HG2 H 0.728 0.013 . 1126 123 123 ILE HG2 H 0.728 0.013 . 1127 123 123 ILE HD1 H 0.652 0.002 . 1128 123 123 ILE CA C 63.672 0.165 . 1129 123 123 ILE CB C 37.991 0.180 . 1130 123 123 ILE N N 118.325 0.052 . 1131 124 124 ALA H H 7.903 0.004 . 1132 124 124 ALA HA H 4.123 0.010 . 1133 124 124 ALA HB H 1.479 0.077 . 1134 124 124 ALA HB H 1.479 0.077 . 1135 124 124 ALA CA C 54.302 0.092 . 1136 124 124 ALA CB C 18.605 0.300 . 1137 124 124 ALA N N 123.158 0.031 . 1138 125 125 GLU H H 7.813 0.006 . 1139 125 125 GLU HA H 4.150 0.006 . 1140 125 125 GLU HB2 H 2.036 0.008 . 1141 125 125 GLU HB3 H 1.820 0.006 . 1142 125 125 GLU HG2 H 2.322 0.010 . 1143 125 125 GLU HG3 H 2.184 0.006 . 1144 125 125 GLU CA C 57.139 0.074 . 1145 125 125 GLU CB C 29.824 0.216 . 1146 125 125 GLU CG C 35.817 0.000 . 1147 125 125 GLU N N 116.633 0.041 . 1148 126 126 ALA H H 7.684 0.010 . 1149 126 126 ALA HA H 4.130 0.006 . 1150 126 126 ALA HB H 1.391 0.014 . 1151 126 126 ALA HB H 1.323 0.010 . 1152 126 126 ALA HB H 1.115 0.014 . 1153 126 126 ALA CA C 52.787 0.056 . 1154 126 126 ALA CB C 19.588 0.335 . 1155 126 126 ALA N N 122.403 0.052 . 1156 127 127 ASP H H 8.166 0.005 . 1157 127 127 ASP HA H 4.604 0.008 . 1158 127 127 ASP HB2 H 2.715 0.005 . 1159 127 127 ASP HB3 H 2.507 0.005 . 1160 127 127 ASP CA C 54.202 0.054 . 1161 127 127 ASP CB C 41.045 0.179 . 1162 127 127 ASP N N 119.036 0.030 . 1163 128 128 GLU H H 8.349 0.004 . 1164 128 128 GLU HA H 4.157 0.004 . 1165 128 128 GLU HB2 H 2.006 0.009 . 1166 128 128 GLU HB3 H 1.846 0.006 . 1167 128 128 GLU HG2 H 2.249 0.006 . 1168 128 128 GLU HG3 H 2.152 0.008 . 1169 128 128 GLU CA C 57.922 0.055 . 1170 128 128 GLU CB C 30.153 0.101 . 1171 128 128 GLU CG C 35.669 0.000 . 1172 128 128 GLU N N 122.416 0.033 . 1173 129 129 ASP H H 8.402 0.003 . 1174 129 129 ASP HA H 4.656 0.006 . 1175 129 129 ASP HB2 H 2.703 0.005 . 1176 129 129 ASP HB3 H 2.426 0.005 . 1177 129 129 ASP CA C 54.603 0.062 . 1178 129 129 ASP CB C 41.202 0.225 . 1179 129 129 ASP N N 118.863 0.034 . 1180 130 130 GLY H H 8.075 0.005 . 1181 130 130 GLY HA2 H 3.962 0.004 . 1182 130 130 GLY HA3 H 3.754 0.005 . 1183 130 130 GLY CA C 45.913 0.198 . 1184 130 130 GLY N N 108.905 0.029 . 1185 131 131 ASP H H 8.377 0.003 . 1186 131 131 ASP HA H 4.668 0.004 . 1187 131 131 ASP HB2 H 2.710 0.005 . 1188 131 131 ASP HB3 H 2.526 0.004 . 1189 131 131 ASP CA C 54.111 0.062 . 1190 131 131 ASP CB C 41.332 0.171 . 1191 131 131 ASP N N 119.811 0.046 . 1192 132 132 GLY H H 8.936 0.004 . 1193 132 132 GLY HA2 H 3.936 0.052 . 1194 132 132 GLY HA3 H 3.771 0.020 . 1195 132 132 GLY CA C 45.831 0.029 . 1196 132 132 GLY N N 109.867 0.038 . 1197 133 133 GLU H H 8.341 0.002 . 1198 133 133 GLU HA H 4.230 0.008 . 1199 133 133 GLU HB2 H 2.082 0.006 . 1200 133 133 GLU HB3 H 2.082 0.006 . 1201 133 133 GLU HG2 H 2.262 0.004 . 1202 133 133 GLU HG3 H 2.262 0.004 . 1203 133 133 GLU CA C 56.238 0.020 . 1204 133 133 GLU CB C 30.548 0.023 . 1205 133 133 GLU CG C 35.342 0.000 . 1206 133 133 GLU N N 116.171 0.023 . 1207 134 134 VAL H H 8.246 0.006 . 1208 134 134 VAL HA H 4.650 0.003 . 1209 134 134 VAL HB H 2.028 0.022 . 1210 134 134 VAL HG1 H 0.914 0.003 . 1211 134 134 VAL HG2 H 0.783 0.005 . 1212 134 134 VAL CA C 60.220 0.046 . 1213 134 134 VAL CB C 34.442 0.184 . 1214 134 134 VAL CG1 C 20.606 0.000 . 1215 134 134 VAL N N 119.124 0.023 . 1216 135 135 SER H H 8.991 0.009 . 1217 135 135 SER HA H 5.084 0.005 . 1218 135 135 SER HB2 H 3.986 0.004 . 1219 135 135 SER HB3 H 3.826 0.006 . 1220 135 135 SER CA C 57.368 0.036 . 1221 135 135 SER CB C 65.650 0.030 . 1222 135 135 SER N N 120.825 0.053 . 1223 136 136 PHE H H 8.598 0.012 . 1224 136 136 PHE HA H 3.678 0.033 . 1225 136 136 PHE HB2 H 2.722 0.005 . 1226 136 136 PHE HB3 H 2.571 0.008 . 1227 136 136 PHE CA C 61.639 0.193 . 1228 136 136 PHE CB C 38.447 0.219 . 1229 136 136 PHE N N 121.644 0.018 . 1230 137 137 GLU H H 8.703 0.008 . 1231 137 137 GLU HA H 3.986 0.001 . 1232 137 137 GLU HB2 H 2.029 0.012 . 1233 137 137 GLU HB3 H 1.972 0.009 . 1234 137 137 GLU HG2 H 2.332 0.011 . 1235 137 137 GLU HG3 H 2.152 0.012 . 1236 137 137 GLU CA C 60.253 0.136 . 1237 137 137 GLU CB C 29.114 0.093 . 1238 137 137 GLU N N 117.445 0.030 . 1239 138 138 GLU H H 7.870 0.005 . 1240 138 138 GLU HA H 4.065 0.010 . 1241 138 138 GLU HB2 H 2.289 0.000 . 1242 138 138 GLU HB3 H 1.993 0.007 . 1243 138 138 GLU HG2 H 2.344 0.012 . 1244 138 138 GLU HG3 H 2.164 0.010 . 1245 138 138 GLU CA C 59.065 0.123 . 1246 138 138 GLU CB C 32.134 4.090 . 1247 138 138 GLU CG C 36.385 0.115 . 1248 138 138 GLU N N 119.596 0.042 . 1249 139 139 PHE H H 8.749 0.007 . 1250 139 139 PHE HA H 4.009 0.004 . 1251 139 139 PHE HB2 H 3.228 0.039 . 1252 139 139 PHE HB3 H 3.121 0.020 . 1253 139 139 PHE CA C 61.100 0.128 . 1254 139 139 PHE CB C 39.127 0.199 . 1255 139 139 PHE N N 121.311 0.045 . 1256 140 140 LYS H H 8.335 0.007 . 1257 140 140 LYS HA H 3.994 0.022 . 1258 140 140 LYS HB2 H 1.802 0.010 . 1259 140 140 LYS HB3 H 1.685 0.012 . 1260 140 140 LYS HG2 H 1.316 0.047 . 1261 140 140 LYS HG3 H 1.148 0.024 . 1262 140 140 LYS HD2 H 1.615 0.003 . 1263 140 140 LYS HD3 H 1.563 0.003 . 1264 140 140 LYS HE2 H 2.960 0.031 . 1265 140 140 LYS HE3 H 2.671 0.000 . 1266 140 140 LYS CA C 60.620 0.166 . 1267 140 140 LYS CB C 31.828 0.212 . 1268 140 140 LYS N N 119.203 0.043 . 1269 141 141 SER H H 7.908 0.003 . 1270 141 141 SER HA H 4.114 0.009 . 1271 141 141 SER HB2 H 3.965 0.004 . 1272 141 141 SER HB3 H 3.965 0.004 . 1273 141 141 SER CA C 61.433 0.143 . 1274 141 141 SER CB C 62.763 0.014 . 1275 141 141 SER N N 115.260 0.046 . 1276 142 142 VAL H H 8.133 0.006 . 1277 142 142 VAL HA H 3.644 0.004 . 1278 142 142 VAL HB H 1.760 0.035 . 1279 142 142 VAL HG1 H 1.016 0.011 . 1280 142 142 VAL HG1 H 1.016 0.011 . 1281 142 142 VAL HG1 H 1.016 0.011 . 1282 142 142 VAL HG2 H 0.800 0.004 . 1283 142 142 VAL HG2 H 0.800 0.004 . 1284 142 142 VAL CA C 65.185 0.074 . 1285 142 142 VAL CB C 38.078 0.097 . 1286 142 142 VAL N N 123.321 0.027 . 1287 143 143 MET H H 8.130 0.002 . 1288 143 143 MET HA H 4.189 0.002 . 1289 143 143 MET HB2 H 1.974 0.012 . 1290 143 143 MET HB3 H 1.782 0.010 . 1291 143 143 MET HG2 H 2.245 0.013 . 1292 143 143 MET HG3 H 2.065 0.007 . 1293 143 143 MET HE H 1.865 0.004 . 1294 143 143 MET CA C 56.832 0.039 . 1295 143 143 MET CB C 30.399 0.009 . 1296 143 143 MET CG C 35.909 0.000 . 1297 143 143 MET CE C 18.980 0.000 . 1298 143 143 MET N N 117.847 0.029 . 1299 144 144 MET H H 8.304 0.003 . 1300 144 144 MET HA H 4.124 0.016 . 1301 144 144 MET HB2 H 2.622 0.006 . 1302 144 144 MET HB3 H 2.126 0.012 . 1303 144 144 MET HG2 H 3.042 0.016 . 1304 144 144 MET HG3 H 2.825 0.010 . 1305 144 144 MET HE H 2.139 0.033 . 1306 144 144 MET CA C 58.367 0.012 . 1307 144 144 MET CB C 32.048 0.152 . 1308 144 144 MET CG C 31.722 0.000 . 1309 144 144 MET N N 121.918 0.066 . 1310 145 145 GLN H H 8.002 0.003 . 1311 145 145 GLN HA H 4.089 0.008 . 1312 145 145 GLN HB2 H 2.135 0.007 . 1313 145 145 GLN HB3 H 1.916 0.003 . 1314 145 145 GLN HG2 H 2.491 0.007 . 1315 145 145 GLN HG3 H 2.276 0.000 . 1316 145 145 GLN CA C 58.403 0.022 . 1317 145 145 GLN CB C 29.102 0.111 . 1318 145 145 GLN CG C 33.895 0.000 . 1319 145 145 GLN N N 119.733 0.045 . 1320 146 146 MET H H 8.256 0.004 . 1321 146 146 MET HA H 4.041 0.010 . 1322 146 146 MET HB2 H 2.179 0.015 . 1323 146 146 MET HB3 H 2.033 0.012 . 1324 146 146 MET HG2 H 2.558 0.001 . 1325 146 146 MET HG3 H 2.558 0.001 . 1326 146 146 MET CA C 58.642 0.060 . 1327 146 146 MET CB C 32.904 0.003 . 1328 146 146 MET N N 118.995 0.077 . 1329 147 147 ARG H H 7.916 0.003 . 1330 147 147 ARG HA H 4.074 0.007 . 1331 147 147 ARG HB2 H 1.874 0.000 . 1332 147 147 ARG HB3 H 1.874 0.000 . 1333 147 147 ARG HG2 H 1.840 0.006 . 1334 147 147 ARG HG3 H 1.840 0.006 . 1335 147 147 ARG HD2 H 3.118 0.013 . 1336 147 147 ARG HD3 H 3.118 0.013 . 1337 147 147 ARG CA C 58.271 0.061 . 1338 147 147 ARG CB C 30.112 0.261 . 1339 147 147 ARG CG C 26.892 0.000 . 1340 147 147 ARG CD C 43.338 0.000 . 1341 147 147 ARG N N 117.966 0.048 . 1342 148 148 GLY H H 7.954 0.004 . 1343 148 148 GLY HA2 H 3.927 0.008 . 1344 148 148 GLY HA3 H 3.675 0.005 . 1345 148 148 GLY CA C 46.064 0.184 . 1346 148 148 GLY N N 107.007 0.019 . 1347 149 149 LYS H H 7.827 0.004 . 1348 149 149 LYS HA H 4.243 0.007 . 1349 149 149 LYS HB2 H 1.828 0.010 . 1350 149 149 LYS HB3 H 1.828 0.010 . 1351 149 149 LYS HG2 H 1.439 0.012 . 1352 149 149 LYS HG3 H 1.439 0.012 . 1353 149 149 LYS HD2 H 1.640 0.006 . 1354 149 149 LYS HD3 H 1.640 0.006 . 1355 149 149 LYS HE2 H 2.982 0.033 . 1356 149 149 LYS HE3 H 2.982 0.033 . 1357 149 149 LYS CA C 57.009 0.010 . 1358 149 149 LYS CB C 32.687 0.219 . 1359 149 149 LYS CG C 24.462 0.000 . 1360 149 149 LYS CD C 28.546 0.000 . 1361 149 149 LYS CE C 41.844 0.000 . 1362 149 149 LYS N N 120.026 0.020 . stop_ save_