data_17374 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments for ADF/Cofilin from Trypanosoma brucei ; _BMRB_accession_number 17374 _BMRB_flat_file_name bmr17374.str _Entry_type original _Submission_date 2010-12-22 _Accession_date 2010-12-22 _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 Dai Kun . . 2 Yuan Guangfa . . 3 Liao Shanhui . . 4 Zhang Jiahai . . 5 Tu Xiaoming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 672 "13C chemical shifts" 527 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-10-05 update author 'update chemical shifts based on PDB entry 2LJ8' 2011-01-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments for a putative ADF/Cofilin from Trypanosoma brucei.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21523437 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dai Kun . . 2 Yuan Guangfa . . 3 Liao Shanhui . . 4 Zhang Jiahai . . 5 Tu Xiaoming . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 249 _Page_last 251 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ADF/Cofilin from Trypanosoma brucei' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ADF/Cofilin from Trypanosoma brucei' $ADF_Cofilin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ADF_Cofilin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ADF_Cofilin _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; MGHHHHHHMAMSGVSVADEC VTALNDLRHKKSRYVIMHIV DQKSIAVKTIGERGANFDQF IEAIDKNVPCYAAFDFEYTT NDGPRDKLILISWNPDSGAP RTKMLYSSSRDALVPLTQGF QGIQANDASGLDFEEISRKV KSNR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 MET 10 ALA 11 MET 12 SER 13 GLY 14 VAL 15 SER 16 VAL 17 ALA 18 ASP 19 GLU 20 CYS 21 VAL 22 THR 23 ALA 24 LEU 25 ASN 26 ASP 27 LEU 28 ARG 29 HIS 30 LYS 31 LYS 32 SER 33 ARG 34 TYR 35 VAL 36 ILE 37 MET 38 HIS 39 ILE 40 VAL 41 ASP 42 GLN 43 LYS 44 SER 45 ILE 46 ALA 47 VAL 48 LYS 49 THR 50 ILE 51 GLY 52 GLU 53 ARG 54 GLY 55 ALA 56 ASN 57 PHE 58 ASP 59 GLN 60 PHE 61 ILE 62 GLU 63 ALA 64 ILE 65 ASP 66 LYS 67 ASN 68 VAL 69 PRO 70 CYS 71 TYR 72 ALA 73 ALA 74 PHE 75 ASP 76 PHE 77 GLU 78 TYR 79 THR 80 THR 81 ASN 82 ASP 83 GLY 84 PRO 85 ARG 86 ASP 87 LYS 88 LEU 89 ILE 90 LEU 91 ILE 92 SER 93 TRP 94 ASN 95 PRO 96 ASP 97 SER 98 GLY 99 ALA 100 PRO 101 ARG 102 THR 103 LYS 104 MET 105 LEU 106 TYR 107 SER 108 SER 109 SER 110 ARG 111 ASP 112 ALA 113 LEU 114 VAL 115 PRO 116 LEU 117 THR 118 GLN 119 GLY 120 PHE 121 GLN 122 GLY 123 ILE 124 GLN 125 ALA 126 ASN 127 ASP 128 ALA 129 SER 130 GLY 131 LEU 132 ASP 133 PHE 134 GLU 135 GLU 136 ILE 137 SER 138 ARG 139 LYS 140 VAL 141 LYS 142 SER 143 ASN 144 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LJ8 "Solution Structure Of AdfCOFILIN FROM TRYPANOSOMA BRUCEI" 100.00 144 100.00 100.00 3.32e-103 EMBL CBH10242 "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei gambiense DAL972]" 94.44 136 100.00 100.00 6.72e-96 GB AAX81027 "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei]" 94.44 136 100.00 100.00 6.72e-96 GB AAZ10549 "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei brucei TREU927]" 94.44 136 100.00 100.00 6.72e-96 REF XP_011772532 "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei gambiense DAL972]" 94.44 136 100.00 100.00 6.72e-96 REF XP_844108 "cofilin/actin depolymerizing factor [Trypanosoma brucei brucei TREU927]" 94.44 136 100.00 100.00 6.72e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ADF_Cofilin 'Trypanosoma brucei' 5691 Eukaryota . Trypanosoma brucei 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 $ADF_Cofilin 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ADF_Cofilin 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' EDTA 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_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_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ADF/Cofilin from Trypanosoma brucei' _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 9 9 MET HA H 4.407 0.001 . 2 9 9 MET HB2 H 1.911 0.001 . 3 9 9 MET HB3 H 1.996 0.020 . 4 9 9 MET HG2 H 2.448 0.005 . 5 9 9 MET HG3 H 2.448 0.005 . 6 9 9 MET H H 8.356 0.004 . 7 9 9 MET C C 175.551 0.017 . 8 9 9 MET CA C 54.956 0.177 . 9 9 9 MET CB C 32.644 0.028 . 10 9 9 MET CG C 30.881 0.000 . 11 9 9 MET N N 122.203 0.025 . 12 10 10 ALA H H 8.417 0.003 . 13 10 10 ALA HA H 4.313 0.005 . 14 10 10 ALA HB H 1.393 0.004 . 15 10 10 ALA C C 177.882 0.007 . 16 10 10 ALA CA C 51.931 0.103 . 17 10 10 ALA CB C 18.870 0.184 . 18 10 10 ALA N N 125.474 0.020 . 19 11 11 MET H H 8.545 0.004 . 20 11 11 MET HA H 4.442 0.006 . 21 11 11 MET HB2 H 2.055 0.013 . 22 11 11 MET HB3 H 2.055 0.013 . 23 11 11 MET HG2 H 2.561 0.001 . 24 11 11 MET HG3 H 2.561 0.001 . 25 11 11 MET C C 176.367 0.009 . 26 11 11 MET CA C 55.414 0.137 . 27 11 11 MET CB C 32.056 0.064 . 28 11 11 MET CG C 31.261 0.000 . 29 11 11 MET CE C 18.992 0.000 . 30 11 11 MET N N 120.353 0.055 . 31 12 12 SER H H 8.249 0.004 . 32 12 12 SER HA H 4.385 0.002 . 33 12 12 SER HB2 H 3.846 0.004 . 34 12 12 SER HB3 H 3.846 0.004 . 35 12 12 SER C C 174.969 0.026 . 36 12 12 SER CA C 58.024 0.051 . 37 12 12 SER CB C 63.698 0.018 . 38 12 12 SER N N 115.989 0.021 . 39 13 13 GLY H H 8.370 0.003 . 40 13 13 GLY HA2 H 3.960 0.001 . 41 13 13 GLY HA3 H 3.960 0.001 . 42 13 13 GLY C C 173.593 0.016 . 43 13 13 GLY CA C 44.812 0.123 . 44 13 13 GLY N N 110.690 0.060 . 45 14 14 VAL H H 7.740 0.003 . 46 14 14 VAL HA H 4.343 0.005 . 47 14 14 VAL HB H 1.756 0.007 . 48 14 14 VAL HG1 H 0.692 0.007 . 49 14 14 VAL HG2 H 0.692 0.007 . 50 14 14 VAL C C 175.086 0.011 . 51 14 14 VAL CA C 61.228 0.098 . 52 14 14 VAL CB C 32.663 0.095 . 53 14 14 VAL CG1 C 20.740 0.000 . 54 14 14 VAL N N 119.534 0.033 . 55 15 15 SER H H 8.119 0.005 . 56 15 15 SER HA H 4.801 0.009 . 57 15 15 SER HB2 H 3.860 0.008 . 58 15 15 SER HB3 H 3.860 0.008 . 59 15 15 SER C C 172.823 0.010 . 60 15 15 SER CA C 55.742 0.158 . 61 15 15 SER CB C 65.606 0.033 . 62 15 15 SER N N 119.153 0.045 . 63 16 16 VAL H H 8.781 0.004 . 64 16 16 VAL HA H 4.163 0.003 . 65 16 16 VAL HB H 1.890 0.003 . 66 16 16 VAL HG1 H 0.760 0.007 . 67 16 16 VAL HG2 H 0.910 0.008 . 68 16 16 VAL C C 175.666 0.012 . 69 16 16 VAL CA C 62.139 0.080 . 70 16 16 VAL CB C 32.231 0.085 . 71 16 16 VAL CG1 C 21.142 0.000 . 72 16 16 VAL N N 121.098 0.061 . 73 17 17 ALA H H 9.139 0.003 . 74 17 17 ALA HA H 4.386 0.009 . 75 17 17 ALA HB H 1.682 0.009 . 76 17 17 ALA C C 179.223 0.008 . 77 17 17 ALA CA C 52.840 0.137 . 78 17 17 ALA CB C 19.074 0.199 . 79 17 17 ALA N N 132.206 0.019 . 80 18 18 ASP H H 9.011 0.003 . 81 18 18 ASP HA H 4.361 0.001 . 82 18 18 ASP HB2 H 2.683 0.002 . 83 18 18 ASP HB3 H 2.683 0.002 . 84 18 18 ASP C C 178.726 0.002 . 85 18 18 ASP CA C 57.705 0.171 . 86 18 18 ASP CB C 39.994 0.208 . 87 18 18 ASP N N 123.964 0.064 . 88 19 19 GLU H H 9.017 0.004 . 89 19 19 GLU HA H 4.295 0.016 . 90 19 19 GLU HB2 H 2.143 0.008 . 91 19 19 GLU HB3 H 2.143 0.008 . 92 19 19 GLU HG2 H 2.509 0.009 . 93 19 19 GLU HG3 H 2.314 0.005 . 94 19 19 GLU C C 178.853 0.111 . 95 19 19 GLU CA C 58.303 0.110 . 96 19 19 GLU CB C 28.028 0.060 . 97 19 19 GLU CG C 35.212 0.000 . 98 19 19 GLU N N 116.286 0.040 . 99 20 20 CYS H H 8.114 0.004 . 100 20 20 CYS HA H 3.865 0.012 . 101 20 20 CYS HB2 H 2.839 0.012 . 102 20 20 CYS HB3 H 2.839 0.012 . 103 20 20 CYS C C 176.236 0.009 . 104 20 20 CYS CA C 61.476 0.097 . 105 20 20 CYS CB C 26.622 0.046 . 106 20 20 CYS N N 119.568 0.091 . 107 21 21 VAL H H 7.419 0.004 . 108 21 21 VAL HA H 3.487 0.009 . 109 21 21 VAL HB H 2.435 0.007 . 110 21 21 VAL HG1 H 0.977 0.018 . 111 21 21 VAL HG2 H 1.033 0.004 . 112 21 21 VAL C C 179.253 0.007 . 113 21 21 VAL CA C 66.265 0.085 . 114 21 21 VAL CB C 30.980 0.099 . 115 21 21 VAL CG1 C 21.056 0.000 . 116 21 21 VAL CG2 C 21.351 0.008 . 117 21 21 VAL N N 120.470 0.030 . 118 22 22 THR H H 7.657 0.005 . 119 22 22 THR HA H 3.951 0.002 . 120 22 22 THR HB H 4.086 0.012 . 121 22 22 THR HG2 H 1.219 0.010 . 122 22 22 THR C C 176.304 0.023 . 123 22 22 THR CA C 65.412 0.124 . 124 22 22 THR CB C 68.308 0.055 . 125 22 22 THR CG2 C 21.527 0.000 . 126 22 22 THR N N 114.497 0.068 . 127 23 23 ALA H H 7.948 0.008 . 128 23 23 ALA HA H 4.154 0.016 . 129 23 23 ALA HB H 1.534 0.010 . 130 23 23 ALA C C 181.348 0.002 . 131 23 23 ALA CA C 54.872 0.147 . 132 23 23 ALA CB C 18.108 0.186 . 133 23 23 ALA N N 122.580 0.030 . 134 24 24 LEU H H 8.574 0.005 . 135 24 24 LEU HA H 4.156 0.000 . 136 24 24 LEU HB2 H 1.416 0.004 . 137 24 24 LEU HB3 H 1.416 0.004 . 138 24 24 LEU HG H 1.862 0.006 . 139 24 24 LEU HD1 H 0.565 0.000 . 140 24 24 LEU HD2 H 0.312 0.007 . 141 24 24 LEU C C 178.638 0.000 . 142 24 24 LEU CA C 57.854 0.000 . 143 24 24 LEU CB C 40.688 0.189 . 144 24 24 LEU CG C 27.334 0.000 . 145 24 24 LEU CD1 C 24.677 0.000 . 146 24 24 LEU N N 119.406 0.075 . 147 25 25 ASN H H 8.124 0.006 . 148 25 25 ASN HA H 4.484 0.009 . 149 25 25 ASN HB2 H 2.891 0.009 . 150 25 25 ASN HB3 H 2.891 0.009 . 151 25 25 ASN C C 178.204 0.078 . 152 25 25 ASN CA C 56.057 0.000 . 153 25 25 ASN CB C 37.364 0.196 . 154 25 25 ASN N N 119.775 0.060 . 155 26 26 ASP H H 8.401 0.007 . 156 26 26 ASP HA H 4.407 0.003 . 157 26 26 ASP HB2 H 2.736 0.000 . 158 26 26 ASP HB3 H 2.389 0.000 . 159 26 26 ASP CB C 39.390 0.000 . 160 26 26 ASP N N 121.727 0.049 . 161 27 27 LEU H H 7.733 0.002 . 162 27 27 LEU HA H 4.156 0.008 . 163 27 27 LEU HB2 H 2.157 0.006 . 164 27 27 LEU HB3 H 1.347 0.004 . 165 27 27 LEU HG H 0.852 0.014 . 166 27 27 LEU HD1 H 0.633 0.006 . 167 27 27 LEU HD2 H 0.633 0.006 . 168 27 27 LEU C C 180.075 0.025 . 169 27 27 LEU CA C 58.167 0.097 . 170 27 27 LEU CB C 41.170 0.198 . 171 27 27 LEU CG C 27.710 0.000 . 172 27 27 LEU CD1 C 23.171 0.033 . 173 27 27 LEU CD2 C 21.308 0.039 . 174 27 27 LEU N N 123.260 0.073 . 175 28 28 ARG H H 8.308 0.005 . 176 28 28 ARG HA H 3.835 0.002 . 177 28 28 ARG HB2 H 1.953 0.004 . 178 28 28 ARG HB3 H 1.690 0.004 . 179 28 28 ARG HG2 H 1.712 0.000 . 180 28 28 ARG HG3 H 1.511 0.005 . 181 28 28 ARG HD2 H 3.197 0.000 . 182 28 28 ARG HD3 H 3.197 0.000 . 183 28 28 ARG C C 178.104 0.001 . 184 28 28 ARG CA C 59.386 0.070 . 185 28 28 ARG CB C 29.828 0.054 . 186 28 28 ARG CG C 27.753 0.000 . 187 28 28 ARG CD C 43.122 0.000 . 188 28 28 ARG N N 119.593 0.073 . 189 29 29 HIS H H 7.643 0.007 . 190 29 29 HIS HA H 4.623 0.007 . 191 29 29 HIS HB2 H 3.575 0.010 . 192 29 29 HIS HB3 H 2.995 0.016 . 193 29 29 HIS C C 173.166 0.012 . 194 29 29 HIS CA C 55.501 0.156 . 195 29 29 HIS CB C 28.324 0.152 . 196 29 29 HIS N N 114.126 0.036 . 197 30 30 LYS H H 8.188 0.003 . 198 30 30 LYS HA H 3.808 0.005 . 199 30 30 LYS HB2 H 1.744 0.018 . 200 30 30 LYS HB3 H 2.120 0.005 . 201 30 30 LYS HG2 H 1.604 0.000 . 202 30 30 LYS HG3 H 1.306 0.003 . 203 30 30 LYS HE2 H 2.950 0.007 . 204 30 30 LYS HE3 H 2.950 0.007 . 205 30 30 LYS C C 175.589 0.016 . 206 30 30 LYS CA C 57.854 0.068 . 207 30 30 LYS CB C 28.021 0.057 . 208 30 30 LYS CG C 24.764 0.000 . 209 30 30 LYS CE C 41.960 0.000 . 210 30 30 LYS N N 113.480 0.027 . 211 31 31 LYS H H 8.529 0.004 . 212 31 31 LYS HA H 4.252 0.002 . 213 31 31 LYS HB2 H 1.932 0.007 . 214 31 31 LYS HB3 H 1.498 0.023 . 215 31 31 LYS HD2 H 1.452 0.006 . 216 31 31 LYS HD3 H 1.452 0.006 . 217 31 31 LYS HE2 H 2.911 0.009 . 218 31 31 LYS HE3 H 2.911 0.009 . 219 31 31 LYS C C 175.524 0.012 . 220 31 31 LYS CA C 56.323 0.106 . 221 31 31 LYS CB C 32.312 0.192 . 222 31 31 LYS CG C 24.505 0.000 . 223 31 31 LYS CD C 28.037 0.000 . 224 31 31 LYS CE C 41.232 0.000 . 225 31 31 LYS N N 115.328 0.030 . 226 32 32 SER H H 7.315 0.005 . 227 32 32 SER HA H 4.364 0.009 . 228 32 32 SER HB2 H 3.872 0.001 . 229 32 32 SER HB3 H 3.592 0.007 . 230 32 32 SER C C 172.614 0.012 . 231 32 32 SER CA C 55.147 0.116 . 232 32 32 SER CB C 64.917 0.019 . 233 32 32 SER N N 111.146 0.021 . 234 33 33 ARG H H 8.449 0.005 . 235 33 33 ARG HA H 4.370 0.007 . 236 33 33 ARG HB2 H 2.241 0.007 . 237 33 33 ARG HB3 H 1.446 0.005 . 238 33 33 ARG C C 173.519 0.010 . 239 33 33 ARG CA C 53.889 0.177 . 240 33 33 ARG CB C 31.451 0.212 . 241 33 33 ARG CG C 23.492 0.000 . 242 33 33 ARG CD C 40.017 0.000 . 243 33 33 ARG N N 117.680 0.068 . 244 34 34 TYR H H 6.983 0.006 . 245 34 34 TYR HA H 5.384 0.004 . 246 34 34 TYR HB2 H 3.537 0.013 . 247 34 34 TYR HB3 H 3.133 0.014 . 248 34 34 TYR C C 173.561 0.014 . 249 34 34 TYR CA C 54.680 0.153 . 250 34 34 TYR CB C 42.180 0.085 . 251 34 34 TYR N N 108.125 0.069 . 252 35 35 VAL H H 9.233 0.006 . 253 35 35 VAL HA H 4.763 0.002 . 254 35 35 VAL HB H 2.031 0.012 . 255 35 35 VAL HG1 H 0.654 0.000 . 256 35 35 VAL HG2 H 1.016 0.011 . 257 35 35 VAL C C 174.505 0.009 . 258 35 35 VAL CA C 61.791 0.074 . 259 35 35 VAL CB C 36.462 0.070 . 260 35 35 VAL CG1 C 21.305 0.000 . 261 35 35 VAL N N 119.533 0.038 . 262 36 36 ILE H H 9.609 0.005 . 263 36 36 ILE HA H 5.066 0.009 . 264 36 36 ILE HB H 2.078 0.013 . 265 36 36 ILE HG12 H 1.560 0.072 . 266 36 36 ILE HG13 H 1.441 0.000 . 267 36 36 ILE HG2 H 1.054 0.007 . 268 36 36 ILE HD1 H 0.695 0.010 . 269 36 36 ILE C C 175.651 0.011 . 270 36 36 ILE CA C 59.569 0.046 . 271 36 36 ILE CB C 36.984 0.075 . 272 36 36 ILE CG1 C 27.427 0.000 . 273 36 36 ILE CG2 C 17.406 0.000 . 274 36 36 ILE CD1 C 11.147 0.014 . 275 36 36 ILE N N 127.705 0.049 . 276 37 37 MET H H 9.995 0.004 . 277 37 37 MET HA H 5.469 0.007 . 278 37 37 MET HB2 H 2.317 0.006 . 279 37 37 MET HB3 H 2.317 0.006 . 280 37 37 MET HG2 H 2.702 0.010 . 281 37 37 MET HG3 H 2.702 0.010 . 282 37 37 MET HE H 1.872 0.008 . 283 37 37 MET C C 174.087 0.009 . 284 37 37 MET CA C 54.372 0.184 . 285 37 37 MET CB C 37.721 0.124 . 286 37 37 MET CG C 32.188 0.000 . 287 37 37 MET N N 127.742 0.036 . 288 38 38 HIS H H 9.522 0.004 . 289 38 38 HIS HA H 5.421 0.005 . 290 38 38 HIS HB2 H 3.486 0.000 . 291 38 38 HIS HB3 H 3.423 0.000 . 292 38 38 HIS C C 172.123 0.021 . 293 38 38 HIS CA C 52.909 0.138 . 294 38 38 HIS CB C 34.132 0.010 . 295 38 38 HIS N N 117.585 0.041 . 296 39 39 ILE H H 8.727 0.005 . 297 39 39 ILE HA H 4.826 0.004 . 298 39 39 ILE HB H 1.190 0.010 . 299 39 39 ILE HG12 H 0.693 0.009 . 300 39 39 ILE HG13 H 0.693 0.009 . 301 39 39 ILE HG2 H 0.490 0.011 . 302 39 39 ILE HD1 H -0.033 0.003 . 303 39 39 ILE C C 176.174 0.010 . 304 39 39 ILE CA C 60.443 0.132 . 305 39 39 ILE CB C 37.751 0.128 . 306 39 39 ILE CG1 C 28.787 0.000 . 307 39 39 ILE CG2 C 16.615 0.000 . 308 39 39 ILE CD1 C 11.346 0.011 . 309 39 39 ILE N N 119.165 0.066 . 310 40 40 VAL H H 9.547 0.004 . 311 40 40 VAL HA H 4.167 0.006 . 312 40 40 VAL HB H 1.875 0.004 . 313 40 40 VAL HG1 H 0.665 0.008 . 314 40 40 VAL HG2 H 0.665 0.008 . 315 40 40 VAL C C 176.157 0.005 . 316 40 40 VAL CA C 60.426 0.117 . 317 40 40 VAL CB C 33.137 0.076 . 318 40 40 VAL CG1 C 19.984 0.000 . 319 40 40 VAL N N 128.825 0.065 . 320 41 41 ASP H H 9.345 0.004 . 321 41 41 ASP HA H 4.304 0.006 . 322 41 41 ASP HB2 H 2.907 0.008 . 323 41 41 ASP HB3 H 2.598 0.001 . 324 41 41 ASP C C 173.995 0.017 . 325 41 41 ASP CA C 55.262 0.104 . 326 41 41 ASP CB C 39.679 0.074 . 327 41 41 ASP N N 126.279 0.053 . 328 42 42 GLN H H 8.830 0.003 . 329 42 42 GLN HA H 3.354 0.004 . 330 42 42 GLN HB2 H 2.215 0.009 . 331 42 42 GLN HB3 H 2.125 0.000 . 332 42 42 GLN C C 174.715 0.023 . 333 42 42 GLN CA C 57.531 0.140 . 334 42 42 GLN CB C 27.248 0.081 . 335 42 42 GLN CG C 34.033 0.000 . 336 42 42 GLN N N 108.991 0.028 . 337 43 43 LYS H H 7.890 0.003 . 338 43 43 LYS HA H 4.736 0.011 . 339 43 43 LYS HB2 H 1.718 0.011 . 340 43 43 LYS HB3 H 1.718 0.011 . 341 43 43 LYS HG2 H 1.389 0.004 . 342 43 43 LYS HG3 H 1.389 0.004 . 343 43 43 LYS HE2 H 2.967 0.000 . 344 43 43 LYS HE3 H 2.967 0.000 . 345 43 43 LYS C C 175.254 0.018 . 346 43 43 LYS CA C 57.035 0.055 . 347 43 43 LYS CB C 36.216 0.060 . 348 43 43 LYS CG C 23.253 0.000 . 349 43 43 LYS CD C 28.290 0.000 . 350 43 43 LYS CE C 41.464 0.000 . 351 43 43 LYS N N 114.172 0.028 . 352 44 44 SER H H 7.742 0.005 . 353 44 44 SER HA H 5.464 0.005 . 354 44 44 SER HB2 H 3.559 0.005 . 355 44 44 SER HB3 H 3.559 0.005 . 356 44 44 SER C C 173.547 0.022 . 357 44 44 SER CA C 55.654 0.160 . 358 44 44 SER CB C 65.414 0.081 . 359 44 44 SER N N 114.967 0.035 . 360 45 45 ILE H H 9.115 0.004 . 361 45 45 ILE HA H 4.505 0.005 . 362 45 45 ILE HB H 1.690 0.011 . 363 45 45 ILE HG2 H 1.027 0.007 . 364 45 45 ILE HD1 H 0.571 0.000 . 365 45 45 ILE C C 172.574 0.011 . 366 45 45 ILE CA C 61.981 0.038 . 367 45 45 ILE CB C 37.647 0.088 . 368 45 45 ILE CG1 C 28.940 0.000 . 369 45 45 ILE CG2 C 18.328 0.000 . 370 45 45 ILE CD1 C 13.284 0.000 . 371 45 45 ILE N N 127.100 0.113 . 372 46 46 ALA H H 9.348 0.005 . 373 46 46 ALA HA H 4.749 0.014 . 374 46 46 ALA HB H 1.420 0.011 . 375 46 46 ALA C C 176.890 0.015 . 376 46 46 ALA CA C 50.017 0.110 . 377 46 46 ALA CB C 23.181 0.099 . 378 46 46 ALA N N 130.768 0.039 . 379 47 47 VAL H H 9.099 0.005 . 380 47 47 VAL HA H 3.755 0.006 . 381 47 47 VAL HB H 2.030 0.014 . 382 47 47 VAL HG1 H 0.848 0.000 . 383 47 47 VAL HG2 H 0.811 0.003 . 384 47 47 VAL C C 175.457 0.019 . 385 47 47 VAL CA C 64.261 0.056 . 386 47 47 VAL CB C 32.141 0.062 . 387 47 47 VAL CG1 C 21.098 0.017 . 388 47 47 VAL CG2 C 22.286 0.000 . 389 47 47 VAL N N 121.443 0.078 . 390 48 48 LYS H H 9.733 0.043 . 391 48 48 LYS HA H 4.120 0.006 . 392 48 48 LYS HB2 H 1.371 0.014 . 393 48 48 LYS HB3 H 0.605 0.017 . 394 48 48 LYS HG2 H 0.814 0.009 . 395 48 48 LYS HG3 H 0.814 0.009 . 396 48 48 LYS HD2 H 1.177 0.006 . 397 48 48 LYS HD3 H 1.177 0.006 . 398 48 48 LYS HE2 H 2.868 0.004 . 399 48 48 LYS HE3 H 2.868 0.004 . 400 48 48 LYS C C 176.483 0.000 . 401 48 48 LYS CA C 57.653 0.088 . 402 48 48 LYS CB C 34.620 0.132 . 403 48 48 LYS CG C 24.649 0.000 . 404 48 48 LYS CD C 29.192 0.000 . 405 48 48 LYS CE C 41.529 0.000 . 406 48 48 LYS N N 130.849 0.052 . 407 49 49 THR H H 7.639 0.004 . 408 49 49 THR HA H 4.577 0.005 . 409 49 49 THR HB H 3.990 0.008 . 410 49 49 THR HG2 H 1.293 0.018 . 411 49 49 THR C C 171.256 0.006 . 412 49 49 THR CA C 61.308 0.095 . 413 49 49 THR CB C 71.293 0.052 . 414 49 49 THR CG2 C 21.506 0.000 . 415 49 49 THR N N 110.268 0.049 . 416 50 50 ILE H H 8.502 0.002 . 417 50 50 ILE HA H 4.583 0.005 . 418 50 50 ILE HB H 1.608 0.003 . 419 50 50 ILE HG2 H 0.903 0.014 . 420 50 50 ILE C C 175.374 0.015 . 421 50 50 ILE CA C 60.275 0.069 . 422 50 50 ILE CB C 40.348 0.109 . 423 50 50 ILE CG1 C 27.548 0.000 . 424 50 50 ILE CG2 C 16.653 0.000 . 425 50 50 ILE CD1 C 12.289 0.000 . 426 50 50 ILE N N 126.100 0.018 . 427 51 51 GLY H H 8.449 0.005 . 428 51 51 GLY HA2 H 3.813 0.014 . 429 51 51 GLY HA3 H 1.379 0.001 . 430 51 51 GLY C C 172.973 0.009 . 431 51 51 GLY CA C 43.020 0.038 . 432 51 51 GLY N N 118.527 0.135 . 433 52 52 GLU H H 8.919 0.004 . 434 52 52 GLU HA H 4.212 0.004 . 435 52 52 GLU HB2 H 2.097 0.008 . 436 52 52 GLU HB3 H 2.097 0.008 . 437 52 52 GLU HG2 H 2.287 0.007 . 438 52 52 GLU HG3 H 2.287 0.007 . 439 52 52 GLU C C 176.156 0.035 . 440 52 52 GLU CA C 55.886 0.168 . 441 52 52 GLU CB C 28.976 0.077 . 442 52 52 GLU CG C 34.593 0.000 . 443 52 52 GLU N N 127.008 0.053 . 444 53 53 ARG H H 8.715 0.003 . 445 53 53 ARG HA H 3.703 0.001 . 446 53 53 ARG HB2 H 1.893 0.009 . 447 53 53 ARG HB3 H 1.532 0.008 . 448 53 53 ARG HG2 H 1.774 0.000 . 449 53 53 ARG HG3 H 1.774 0.000 . 450 53 53 ARG HD2 H 2.713 0.001 . 451 53 53 ARG HD3 H 2.401 0.003 . 452 53 53 ARG C C 175.959 0.003 . 453 53 53 ARG CA C 57.416 0.081 . 454 53 53 ARG CB C 29.184 0.102 . 455 53 53 ARG CG C 23.480 0.000 . 456 53 53 ARG CD C 42.432 0.000 . 457 53 53 ARG N N 119.269 0.040 . 458 54 54 GLY H H 8.526 0.003 . 459 54 54 GLY HA2 H 4.131 0.011 . 460 54 54 GLY HA3 H 3.638 0.007 . 461 54 54 GLY C C 174.251 0.005 . 462 54 54 GLY CA C 44.805 0.133 . 463 54 54 GLY N N 103.453 0.039 . 464 55 55 ALA H H 7.848 0.004 . 465 55 55 ALA HA H 4.459 0.005 . 466 55 55 ALA HB H 1.553 0.006 . 467 55 55 ALA C C 176.652 0.012 . 468 55 55 ALA CA C 52.407 0.097 . 469 55 55 ALA CB C 19.374 0.202 . 470 55 55 ALA N N 124.067 0.036 . 471 56 56 ASN H H 8.154 0.004 . 472 56 56 ASN HA H 5.169 0.011 . 473 56 56 ASN HB2 H 3.456 0.014 . 474 56 56 ASN HB3 H 2.968 0.007 . 475 56 56 ASN C C 175.572 0.024 . 476 56 56 ASN CA C 50.010 0.134 . 477 56 56 ASN CB C 40.267 0.007 . 478 56 56 ASN N N 117.574 0.026 . 479 57 57 PHE H H 8.845 0.004 . 480 57 57 PHE HA H 4.071 0.005 . 481 57 57 PHE HB2 H 3.410 0.000 . 482 57 57 PHE HB3 H 3.029 0.001 . 483 57 57 PHE C C 175.957 0.017 . 484 57 57 PHE CA C 62.206 0.063 . 485 57 57 PHE CB C 39.131 0.178 . 486 57 57 PHE N N 118.660 0.022 . 487 58 58 ASP H H 8.131 0.004 . 488 58 58 ASP HA H 4.262 0.005 . 489 58 58 ASP HB2 H 2.631 0.001 . 490 58 58 ASP HB3 H 2.631 0.001 . 491 58 58 ASP C C 179.430 0.026 . 492 58 58 ASP CA C 57.314 0.085 . 493 58 58 ASP CB C 39.572 0.026 . 494 58 58 ASP N N 117.702 0.060 . 495 59 59 GLN H H 8.296 0.003 . 496 59 59 GLN HA H 3.925 0.010 . 497 59 59 GLN HB2 H 2.417 0.000 . 498 59 59 GLN HB3 H 2.225 0.009 . 499 59 59 GLN HG2 H 2.637 0.000 . 500 59 59 GLN HG3 H 2.459 0.007 . 501 59 59 GLN C C 178.355 0.012 . 502 59 59 GLN CA C 58.765 0.072 . 503 59 59 GLN CB C 28.469 0.033 . 504 59 59 GLN CG C 34.127 0.000 . 505 59 59 GLN N N 120.987 0.062 . 506 60 60 PHE H H 7.713 0.003 . 507 60 60 PHE HA H 3.310 0.004 . 508 60 60 PHE HB2 H 2.855 0.009 . 509 60 60 PHE HB3 H 2.623 0.002 . 510 60 60 PHE C C 174.873 0.005 . 511 60 60 PHE CA C 58.277 0.127 . 512 60 60 PHE CB C 37.972 0.138 . 513 60 60 PHE N N 121.287 0.066 . 514 61 61 ILE H H 7.663 0.003 . 515 61 61 ILE HA H 2.715 0.008 . 516 61 61 ILE HB H 1.750 0.011 . 517 61 61 ILE HG12 H 0.722 0.004 . 518 61 61 ILE HG13 H 0.839 0.001 . 519 61 61 ILE HG2 H 0.489 0.005 . 520 61 61 ILE HD1 H -0.055 0.004 . 521 61 61 ILE C C 180.497 0.018 . 522 61 61 ILE CA C 60.750 0.085 . 523 61 61 ILE CB C 33.659 0.025 . 524 61 61 ILE CG1 C 25.890 0.000 . 525 61 61 ILE CG2 C 16.972 0.000 . 526 61 61 ILE CD1 C 8.261 0.009 . 527 61 61 ILE N N 115.935 0.040 . 528 62 62 GLU H H 7.724 0.005 . 529 62 62 GLU HA H 3.747 0.013 . 530 62 62 GLU HB2 H 1.960 0.005 . 531 62 62 GLU HB3 H 1.960 0.005 . 532 62 62 GLU HG2 H 2.214 0.010 . 533 62 62 GLU HG3 H 2.214 0.010 . 534 62 62 GLU C C 176.844 0.020 . 535 62 62 GLU CA C 58.228 0.138 . 536 62 62 GLU CB C 28.884 0.043 . 537 62 62 GLU CG C 35.653 0.000 . 538 62 62 GLU N N 120.930 0.059 . 539 63 63 ALA H H 7.158 0.004 . 540 63 63 ALA HA H 4.011 0.009 . 541 63 63 ALA HB H 1.338 0.006 . 542 63 63 ALA C C 176.771 0.002 . 543 63 63 ALA CA C 52.209 0.078 . 544 63 63 ALA CB C 17.560 0.142 . 545 63 63 ALA N N 119.894 0.029 . 546 64 64 ILE H H 6.955 0.005 . 547 64 64 ILE HA H 3.312 0.004 . 548 64 64 ILE HB H 1.110 0.037 . 549 64 64 ILE HG12 H 0.696 0.000 . 550 64 64 ILE HG13 H -0.011 0.000 . 551 64 64 ILE HG2 H 0.024 0.000 . 552 64 64 ILE HD1 H -0.376 0.006 . 553 64 64 ILE C C 174.432 0.006 . 554 64 64 ILE CA C 61.086 0.077 . 555 64 64 ILE CB C 37.709 0.095 . 556 64 64 ILE CG1 C 26.070 0.000 . 557 64 64 ILE CG2 C 14.726 0.000 . 558 64 64 ILE CD1 C 12.056 0.000 . 559 64 64 ILE N N 120.722 0.093 . 560 65 65 ASP H H 8.014 0.003 . 561 65 65 ASP HA H 4.433 0.002 . 562 65 65 ASP HB2 H 2.876 0.004 . 563 65 65 ASP HB3 H 2.533 0.002 . 564 65 65 ASP C C 178.348 0.000 . 565 65 65 ASP CA C 53.701 0.080 . 566 65 65 ASP CB C 40.648 0.142 . 567 65 65 ASP N N 129.256 0.038 . 568 66 66 LYS H H 8.998 0.006 . 569 66 66 LYS HA H 4.225 0.005 . 570 66 66 LYS HB2 H 2.114 0.003 . 571 66 66 LYS HB3 H 1.817 0.004 . 572 66 66 LYS HG2 H 1.132 0.001 . 573 66 66 LYS HG3 H 1.132 0.001 . 574 66 66 LYS HD2 H 1.440 0.001 . 575 66 66 LYS HD3 H 1.440 0.001 . 576 66 66 LYS HE2 H 2.797 0.000 . 577 66 66 LYS HE3 H 2.458 0.000 . 578 66 66 LYS C C 176.709 0.003 . 579 66 66 LYS CA C 56.118 0.140 . 580 66 66 LYS CB C 30.127 0.184 . 581 66 66 LYS CG C 22.876 0.000 . 582 66 66 LYS CD C 25.946 0.000 . 583 66 66 LYS CE C 41.095 0.000 . 584 66 66 LYS N N 124.366 0.057 . 585 67 67 ASN H H 8.992 0.005 . 586 67 67 ASN HA H 4.722 0.008 . 587 67 67 ASN HB2 H 2.815 0.009 . 588 67 67 ASN HB3 H 2.815 0.009 . 589 67 67 ASN C C 174.910 0.006 . 590 67 67 ASN CA C 53.441 0.206 . 591 67 67 ASN CB C 40.172 0.146 . 592 67 67 ASN N N 113.966 0.055 . 593 68 68 VAL H H 7.310 0.005 . 594 68 68 VAL HA H 4.774 0.000 . 595 68 68 VAL HB H 2.102 0.000 . 596 68 68 VAL HG1 H 0.993 0.000 . 597 68 68 VAL HG2 H 0.819 0.001 . 598 68 68 VAL C C 172.102 0.000 . 599 68 68 VAL CA C 57.698 0.000 . 600 68 68 VAL CB C 34.152 0.000 . 601 68 68 VAL CG1 C 20.787 0.004 . 602 68 68 VAL CG2 C 18.245 0.005 . 603 68 68 VAL N N 114.405 0.015 . 604 69 69 PRO HA H 4.100 0.005 . 605 69 69 PRO HB2 H 1.860 0.005 . 606 69 69 PRO HB3 H 1.860 0.005 . 607 69 69 PRO HG2 H 1.401 0.000 . 608 69 69 PRO HG3 H 1.086 0.005 . 609 69 69 PRO HD2 H 2.985 0.000 . 610 69 69 PRO HD3 H 2.985 0.000 . 611 69 69 PRO C C 175.279 0.006 . 612 69 69 PRO CA C 61.736 0.085 . 613 69 69 PRO CB C 30.785 0.151 . 614 69 69 PRO CG C 27.465 0.000 . 615 69 69 PRO CD C 49.744 0.000 . 616 70 70 CYS H H 8.412 0.003 . 617 70 70 CYS HA H 4.748 0.008 . 618 70 70 CYS HB2 H 3.525 0.004 . 619 70 70 CYS HB3 H 3.331 0.012 . 620 70 70 CYS C C 172.504 0.006 . 621 70 70 CYS CA C 57.962 0.083 . 622 70 70 CYS CB C 29.506 0.194 . 623 70 70 CYS N N 108.696 0.030 . 624 71 71 TYR H H 8.696 0.003 . 625 71 71 TYR HA H 5.668 0.003 . 626 71 71 TYR HB2 H 2.906 0.011 . 627 71 71 TYR HB3 H 2.906 0.011 . 628 71 71 TYR C C 174.269 0.007 . 629 71 71 TYR CA C 55.854 0.120 . 630 71 71 TYR CB C 40.012 0.083 . 631 71 71 TYR N N 117.201 0.030 . 632 72 72 ALA H H 9.893 0.004 . 633 72 72 ALA HA H 5.504 0.003 . 634 72 72 ALA HB H 1.500 0.007 . 635 72 72 ALA C C 174.261 0.001 . 636 72 72 ALA CA C 50.722 0.166 . 637 72 72 ALA CB C 21.334 0.158 . 638 72 72 ALA N N 129.048 0.047 . 639 73 73 ALA H H 9.630 0.004 . 640 73 73 ALA HA H 5.946 0.005 . 641 73 73 ALA HB H 1.462 0.006 . 642 73 73 ALA C C 176.258 0.010 . 643 73 73 ALA CA C 49.963 0.215 . 644 73 73 ALA CB C 21.412 0.111 . 645 73 73 ALA N N 130.172 0.019 . 646 74 74 PHE H H 9.077 0.007 . 647 74 74 PHE HA H 5.091 0.005 . 648 74 74 PHE HB2 H 2.351 0.005 . 649 74 74 PHE HB3 H 2.161 0.012 . 650 74 74 PHE C C 172.409 0.026 . 651 74 74 PHE CA C 55.990 0.090 . 652 74 74 PHE CB C 44.200 0.091 . 653 74 74 PHE N N 122.404 0.089 . 654 75 75 ASP H H 7.127 0.004 . 655 75 75 ASP HA H 4.831 0.007 . 656 75 75 ASP HB2 H 2.603 0.007 . 657 75 75 ASP HB3 H 2.169 0.010 . 658 75 75 ASP C C 172.714 0.065 . 659 75 75 ASP CA C 52.854 0.084 . 660 75 75 ASP CB C 39.749 0.040 . 661 75 75 ASP N N 125.006 0.031 . 662 76 76 PHE H H 8.877 0.007 . 663 76 76 PHE HA H 4.333 0.004 . 664 76 76 PHE HB2 H 3.877 0.003 . 665 76 76 PHE HB3 H 2.862 0.007 . 666 76 76 PHE C C 173.282 0.015 . 667 76 76 PHE CA C 58.180 0.067 . 668 76 76 PHE CB C 41.451 0.179 . 669 76 76 PHE N N 129.805 0.039 . 670 77 77 GLU H H 8.168 0.005 . 671 77 77 GLU HA H 5.000 0.005 . 672 77 77 GLU HB2 H 2.078 0.013 . 673 77 77 GLU HB3 H 1.851 0.001 . 674 77 77 GLU C C 175.222 0.016 . 675 77 77 GLU CA C 55.020 0.064 . 676 77 77 GLU CB C 30.788 0.134 . 677 77 77 GLU CG C 36.723 0.000 . 678 77 77 GLU N N 128.521 0.071 . 679 78 78 TYR H H 8.757 0.004 . 680 78 78 TYR HA H 4.965 0.003 . 681 78 78 TYR HB2 H 2.974 0.006 . 682 78 78 TYR HB3 H 2.974 0.006 . 683 78 78 TYR C C 172.912 0.016 . 684 78 78 TYR CA C 55.296 0.124 . 685 78 78 TYR CB C 38.726 0.167 . 686 78 78 TYR N N 120.125 0.052 . 687 79 79 THR H H 8.659 0.003 . 688 79 79 THR HA H 4.536 0.012 . 689 79 79 THR HB H 4.039 0.003 . 690 79 79 THR HG2 H 1.139 0.008 . 691 79 79 THR C C 173.671 0.025 . 692 79 79 THR CA C 61.556 0.097 . 693 79 79 THR CB C 70.364 0.047 . 694 79 79 THR CG2 C 21.018 0.003 . 695 79 79 THR N N 114.159 0.021 . 696 80 80 THR H H 7.661 0.005 . 697 80 80 THR HA H 4.918 0.000 . 698 80 80 THR HG2 H 1.201 0.000 . 699 80 80 THR C C 175.739 0.000 . 700 80 80 THR CB C 72.641 0.000 . 701 80 80 THR N N 114.207 0.052 . 702 81 81 ASN HA H 4.468 0.000 . 703 81 81 ASN HB2 H 2.834 0.004 . 704 81 81 ASN HB3 H 2.834 0.004 . 705 81 81 ASN C C 175.373 0.030 . 706 81 81 ASN CA C 55.163 0.060 . 707 81 81 ASN CB C 37.248 0.186 . 708 82 82 ASP H H 8.006 0.004 . 709 82 82 ASP HA H 4.796 0.004 . 710 82 82 ASP HB2 H 2.766 0.001 . 711 82 82 ASP HB3 H 2.308 0.005 . 712 82 82 ASP C C 175.257 0.000 . 713 82 82 ASP CA C 53.687 0.116 . 714 82 82 ASP CB C 41.509 0.149 . 715 82 82 ASP N N 116.252 0.043 . 716 83 83 GLY H H 7.448 0.005 . 717 83 83 GLY HA2 H 3.878 0.005 . 718 83 83 GLY HA3 H 3.878 0.005 . 719 83 83 GLY C C 171.706 0.000 . 720 83 83 GLY CA C 44.046 0.000 . 721 83 83 GLY N N 108.251 0.044 . 722 84 84 PRO HA H 4.676 0.005 . 723 84 84 PRO HB2 H 1.901 0.008 . 724 84 84 PRO HB3 H 2.239 0.003 . 725 84 84 PRO HG2 H 1.941 0.000 . 726 84 84 PRO HG3 H 1.941 0.000 . 727 84 84 PRO HD2 H 3.619 0.004 . 728 84 84 PRO HD3 H 3.619 0.004 . 729 84 84 PRO C C 176.963 0.016 . 730 84 84 PRO CA C 62.823 0.087 . 731 84 84 PRO CB C 31.887 0.169 . 732 84 84 PRO CG C 26.384 0.000 . 733 84 84 PRO CD C 49.410 0.000 . 734 85 85 ARG H H 8.633 0.005 . 735 85 85 ARG HA H 4.505 0.010 . 736 85 85 ARG HB2 H 1.385 0.025 . 737 85 85 ARG HB3 H 0.442 0.007 . 738 85 85 ARG HG2 H 1.351 0.000 . 739 85 85 ARG HG3 H 1.351 0.000 . 740 85 85 ARG HD2 H 3.295 0.004 . 741 85 85 ARG HD3 H 3.050 0.001 . 742 85 85 ARG C C 173.653 0.020 . 743 85 85 ARG CA C 53.211 0.083 . 744 85 85 ARG CB C 33.828 0.203 . 745 85 85 ARG CG C 26.345 0.000 . 746 85 85 ARG CD C 42.160 0.000 . 747 85 85 ARG N N 122.771 0.024 . 748 86 86 ASP H H 7.981 0.004 . 749 86 86 ASP HA H 5.710 0.003 . 750 86 86 ASP HB2 H 2.546 0.008 . 751 86 86 ASP HB3 H 2.546 0.008 . 752 86 86 ASP C C 174.577 0.008 . 753 86 86 ASP CA C 52.506 0.172 . 754 86 86 ASP CB C 43.453 0.187 . 755 86 86 ASP N N 115.857 0.051 . 756 87 87 LYS H H 9.273 0.003 . 757 87 87 LYS HA H 4.568 0.009 . 758 87 87 LYS HB2 H 1.906 0.006 . 759 87 87 LYS HB3 H 1.906 0.006 . 760 87 87 LYS HG2 H 1.578 0.000 . 761 87 87 LYS HG3 H 1.578 0.000 . 762 87 87 LYS HE2 H 3.130 0.004 . 763 87 87 LYS HE3 H 3.130 0.004 . 764 87 87 LYS C C 174.385 0.013 . 765 87 87 LYS CA C 54.998 0.107 . 766 87 87 LYS CB C 36.472 0.056 . 767 87 87 LYS CE C 41.209 0.005 . 768 87 87 LYS N N 122.968 0.057 . 769 88 88 LEU H H 8.323 0.003 . 770 88 88 LEU HA H 4.680 0.010 . 771 88 88 LEU HB2 H 1.026 0.010 . 772 88 88 LEU HB3 H 1.026 0.010 . 773 88 88 LEU HG H 0.394 0.016 . 774 88 88 LEU HD1 H -0.140 0.000 . 775 88 88 LEU HD2 H -0.179 0.000 . 776 88 88 LEU C C 176.800 0.012 . 777 88 88 LEU CA C 54.459 0.164 . 778 88 88 LEU CB C 40.109 0.060 . 779 88 88 LEU CG C 25.088 0.000 . 780 88 88 LEU CD1 C 21.144 0.000 . 781 88 88 LEU CD2 C 21.144 0.000 . 782 88 88 LEU N N 126.435 0.035 . 783 89 89 ILE H H 9.103 0.003 . 784 89 89 ILE HA H 5.494 0.008 . 785 89 89 ILE HB H 1.886 0.015 . 786 89 89 ILE HD1 H 0.831 0.009 . 787 89 89 ILE C C 174.326 0.002 . 788 89 89 ILE CA C 58.551 0.122 . 789 89 89 ILE CB C 40.623 0.000 . 790 89 89 ILE CG1 C 25.861 0.000 . 791 89 89 ILE CG2 C 16.483 0.000 . 792 89 89 ILE CD1 C 13.759 0.000 . 793 89 89 ILE N N 116.844 0.050 . 794 90 90 LEU H H 9.015 0.005 . 795 90 90 LEU HA H 5.177 0.011 . 796 90 90 LEU HB2 H 2.057 0.011 . 797 90 90 LEU HB3 H 1.196 0.004 . 798 90 90 LEU HG H 1.376 0.000 . 799 90 90 LEU HD1 H 0.708 0.000 . 800 90 90 LEU HD2 H 0.708 0.000 . 801 90 90 LEU C C 175.846 0.021 . 802 90 90 LEU CA C 52.921 0.124 . 803 90 90 LEU CB C 43.691 0.135 . 804 90 90 LEU CG C 27.348 0.000 . 805 90 90 LEU CD1 C 23.705 0.000 . 806 90 90 LEU CD2 C 22.978 0.011 . 807 90 90 LEU N N 124.305 0.059 . 808 91 91 ILE H H 10.126 0.005 . 809 91 91 ILE HA H 5.083 0.002 . 810 91 91 ILE HB H 2.216 0.006 . 811 91 91 ILE HG13 H 0.873 0.000 . 812 91 91 ILE HG2 H 0.802 0.010 . 813 91 91 ILE HD1 H 0.748 0.000 . 814 91 91 ILE C C 176.848 0.014 . 815 91 91 ILE CA C 60.232 0.000 . 816 91 91 ILE CB C 39.279 0.084 . 817 91 91 ILE CG1 C 27.236 0.000 . 818 91 91 ILE CG2 C 15.422 0.000 . 819 91 91 ILE CD1 C 12.985 0.000 . 820 91 91 ILE N N 130.106 0.040 . 821 92 92 SER H H 9.313 0.005 . 822 92 92 SER HA H 4.984 0.020 . 823 92 92 SER HB2 H 4.044 0.008 . 824 92 92 SER HB3 H 4.044 0.008 . 825 92 92 SER C C 173.056 0.042 . 826 92 92 SER CA C 58.229 0.143 . 827 92 92 SER CB C 62.401 0.006 . 828 92 92 SER N N 126.729 0.048 . 829 93 93 TRP H H 8.181 0.004 . 830 93 93 TRP HA H 5.325 0.007 . 831 93 93 TRP HB2 H 2.689 0.008 . 832 93 93 TRP HB3 H 3.587 0.006 . 833 93 93 TRP C C 175.167 0.015 . 834 93 93 TRP CA C 54.556 0.155 . 835 93 93 TRP CB C 29.938 0.067 . 836 93 93 TRP N N 129.613 0.076 . 837 94 94 ASN H H 7.972 0.005 . 838 94 94 ASN HA H 4.387 0.000 . 839 94 94 ASN HB2 H 2.934 0.000 . 840 94 94 ASN HB3 H 2.684 0.000 . 841 94 94 ASN C C 170.734 0.000 . 842 94 94 ASN N N 125.845 0.035 . 843 95 95 PRO HA H 3.387 0.006 . 844 95 95 PRO HB2 H 1.582 0.007 . 845 95 95 PRO HB3 H 1.582 0.007 . 846 95 95 PRO HG2 H 1.217 0.000 . 847 95 95 PRO HG3 H 1.097 0.000 . 848 95 95 PRO HD2 H 2.629 0.000 . 849 95 95 PRO HD3 H 2.629 0.000 . 850 95 95 PRO C C 179.095 0.009 . 851 95 95 PRO CA C 61.628 0.070 . 852 95 95 PRO CB C 30.862 0.138 . 853 95 95 PRO CG C 25.746 0.000 . 854 95 95 PRO CD C 47.766 0.000 . 855 96 96 ASP H H 8.568 0.003 . 856 96 96 ASP HA H 4.193 0.005 . 857 96 96 ASP HB2 H 2.638 0.005 . 858 96 96 ASP HB3 H 2.638 0.005 . 859 96 96 ASP C C 176.675 0.015 . 860 96 96 ASP CA C 56.716 0.139 . 861 96 96 ASP CB C 40.322 0.145 . 862 96 96 ASP N N 125.286 0.053 . 863 97 97 SER H H 7.890 0.004 . 864 97 97 SER HA H 4.275 0.004 . 865 97 97 SER HB2 H 3.785 0.000 . 866 97 97 SER HB3 H 4.064 0.010 . 867 97 97 SER C C 175.122 0.029 . 868 97 97 SER CA C 58.033 0.077 . 869 97 97 SER CB C 63.080 0.073 . 870 97 97 SER N N 110.906 0.053 . 871 98 98 GLY H H 7.552 0.005 . 872 98 98 GLY HA2 H 4.063 0.004 . 873 98 98 GLY HA3 H 3.558 0.003 . 874 98 98 GLY C C 172.059 0.015 . 875 98 98 GLY CA C 44.194 0.155 . 876 98 98 GLY N N 108.375 0.025 . 877 99 99 ALA H H 8.386 0.003 . 878 99 99 ALA HA H 4.577 0.000 . 879 99 99 ALA HB H 1.518 0.009 . 880 99 99 ALA C C 177.663 0.000 . 881 99 99 ALA CA C 49.424 0.212 . 882 99 99 ALA CB C 17.419 0.000 . 883 99 99 ALA N N 124.497 0.031 . 884 100 100 PRO HA H 4.113 0.000 . 885 100 100 PRO HB2 H 2.015 0.004 . 886 100 100 PRO HB3 H 2.409 0.003 . 887 100 100 PRO C C 179.134 0.006 . 888 100 100 PRO CA C 66.037 0.049 . 889 100 100 PRO CB C 31.807 0.145 . 890 100 100 PRO CG C 26.959 0.000 . 891 100 100 PRO CD C 50.323 0.000 . 892 101 101 ARG H H 8.996 0.005 . 893 101 101 ARG HA H 4.120 0.005 . 894 101 101 ARG HB2 H 1.877 0.000 . 895 101 101 ARG HB3 H 1.877 0.000 . 896 101 101 ARG HG2 H 1.697 0.000 . 897 101 101 ARG HG3 H 1.697 0.000 . 898 101 101 ARG HD2 H 3.202 0.000 . 899 101 101 ARG HD3 H 3.202 0.000 . 900 101 101 ARG C C 179.198 0.014 . 901 101 101 ARG CA C 59.295 0.137 . 902 101 101 ARG CB C 28.892 0.056 . 903 101 101 ARG CG C 26.766 0.000 . 904 101 101 ARG CD C 42.665 0.000 . 905 101 101 ARG N N 116.782 0.064 . 906 102 102 THR H H 7.177 0.003 . 907 102 102 THR HA H 4.286 0.003 . 908 102 102 THR HB H 4.094 0.005 . 909 102 102 THR HG2 H 1.393 0.000 . 910 102 102 THR C C 175.705 0.016 . 911 102 102 THR CA C 65.525 0.085 . 912 102 102 THR CB C 68.124 0.090 . 913 102 102 THR CG2 C 22.361 0.000 . 914 102 102 THR N N 117.497 0.028 . 915 103 103 LYS H H 8.201 0.004 . 916 103 103 LYS HA H 4.362 0.003 . 917 103 103 LYS HB2 H 1.769 0.006 . 918 103 103 LYS HB3 H 1.769 0.006 . 919 103 103 LYS HG2 H 1.493 0.007 . 920 103 103 LYS HG3 H 1.257 0.002 . 921 103 103 LYS C C 180.299 0.036 . 922 103 103 LYS CA C 59.212 0.001 . 923 103 103 LYS CB C 31.888 0.068 . 924 103 103 LYS CG C 23.183 0.000 . 925 103 103 LYS CD C 29.172 0.000 . 926 103 103 LYS CE C 40.779 0.000 . 927 103 103 LYS N N 123.323 0.057 . 928 104 104 MET H H 8.020 0.004 . 929 104 104 MET HA H 4.317 0.007 . 930 104 104 MET HB2 H 2.634 0.006 . 931 104 104 MET HB3 H 2.141 0.007 . 932 104 104 MET C C 178.579 0.022 . 933 104 104 MET CA C 57.483 0.084 . 934 104 104 MET CB C 31.378 0.173 . 935 104 104 MET N N 117.500 0.147 . 936 105 105 LEU H H 7.868 0.036 . 937 105 105 LEU HA H 4.135 0.005 . 938 105 105 LEU HB2 H 2.127 0.010 . 939 105 105 LEU HB3 H 1.702 0.013 . 940 105 105 LEU HD1 H 1.151 0.005 . 941 105 105 LEU HD2 H 0.778 0.005 . 942 105 105 LEU C C 179.935 0.041 . 943 105 105 LEU CA C 57.940 0.043 . 944 105 105 LEU CB C 41.220 0.157 . 945 105 105 LEU CG C 25.476 0.000 . 946 105 105 LEU CD1 C 21.962 0.000 . 947 105 105 LEU CD2 C 21.962 0.000 . 948 105 105 LEU N N 123.188 0.081 . 949 106 106 TYR H H 8.268 0.003 . 950 106 106 TYR HA H 4.166 0.009 . 951 106 106 TYR HB2 H 2.835 0.007 . 952 106 106 TYR HB3 H 2.835 0.007 . 953 106 106 TYR C C 180.793 0.014 . 954 106 106 TYR CA C 61.142 0.101 . 955 106 106 TYR CB C 36.992 0.184 . 956 106 106 TYR N N 118.424 0.066 . 957 107 107 SER H H 8.564 0.006 . 958 107 107 SER HA H 4.396 0.004 . 959 107 107 SER HB2 H 3.967 0.000 . 960 107 107 SER HB3 H 3.967 0.000 . 961 107 107 SER C C 177.361 0.000 . 962 107 107 SER CA C 55.557 0.112 . 963 107 107 SER CB C 62.031 0.057 . 964 107 107 SER N N 118.591 0.111 . 965 108 108 SER H H 8.610 0.005 . 966 108 108 SER HA H 3.978 0.001 . 967 108 108 SER HB2 H 4.351 0.007 . 968 108 108 SER HB3 H 4.351 0.007 . 969 108 108 SER C C 176.366 0.000 . 970 108 108 SER CA C 60.831 0.161 . 971 108 108 SER CB C 63.053 0.081 . 972 108 108 SER N N 116.495 0.073 . 973 109 109 SER H H 7.385 0.005 . 974 109 109 SER HA H 4.513 0.009 . 975 109 109 SER HB2 H 3.668 0.001 . 976 109 109 SER HB3 H 3.668 0.001 . 977 109 109 SER C C 173.197 0.002 . 978 109 109 SER CA C 59.538 0.095 . 979 109 109 SER CB C 63.008 0.043 . 980 109 109 SER N N 114.677 0.022 . 981 110 110 ARG H H 6.964 0.005 . 982 110 110 ARG HA H 3.527 0.013 . 983 110 110 ARG HB2 H 2.092 0.007 . 984 110 110 ARG HB3 H 1.937 0.003 . 985 110 110 ARG HG2 H 1.728 0.001 . 986 110 110 ARG HG3 H 1.728 0.001 . 987 110 110 ARG HD2 H 3.270 0.000 . 988 110 110 ARG HD3 H 3.270 0.000 . 989 110 110 ARG C C 178.048 0.003 . 990 110 110 ARG CA C 58.455 0.134 . 991 110 110 ARG CB C 29.663 0.166 . 992 110 110 ARG CG C 25.947 0.000 . 993 110 110 ARG CD C 42.364 0.000 . 994 110 110 ARG N N 120.235 0.028 . 995 111 111 ASP H H 8.127 0.003 . 996 111 111 ASP HA H 4.400 0.006 . 997 111 111 ASP HB2 H 2.623 0.004 . 998 111 111 ASP HB3 H 2.623 0.004 . 999 111 111 ASP C C 178.351 0.035 . 1000 111 111 ASP CA C 56.428 0.187 . 1001 111 111 ASP CB C 39.610 0.060 . 1002 111 111 ASP N N 117.076 0.074 . 1003 112 112 ALA H H 7.741 0.004 . 1004 112 112 ALA HA H 4.027 0.003 . 1005 112 112 ALA HB H 1.268 0.007 . 1006 112 112 ALA C C 178.326 0.008 . 1007 112 112 ALA CA C 54.073 0.175 . 1008 112 112 ALA CB C 17.700 0.046 . 1009 112 112 ALA N N 123.029 0.073 . 1010 113 113 LEU H H 7.242 0.004 . 1011 113 113 LEU HA H 4.039 0.005 . 1012 113 113 LEU HB2 H 1.432 0.011 . 1013 113 113 LEU HB3 H 1.117 0.017 . 1014 113 113 LEU HD1 H 0.253 0.008 . 1015 113 113 LEU HD2 H 0.566 0.003 . 1016 113 113 LEU C C 179.811 0.034 . 1017 113 113 LEU CA C 54.265 0.142 . 1018 113 113 LEU CB C 42.734 0.047 . 1019 113 113 LEU CG C 26.386 0.000 . 1020 113 113 LEU CD1 C 24.496 0.000 . 1021 113 113 LEU CD2 C 22.488 0.000 . 1022 113 113 LEU N N 110.928 0.030 . 1023 114 114 VAL H H 7.485 0.004 . 1024 114 114 VAL HA H 3.577 0.000 . 1025 114 114 VAL HB H 2.289 0.000 . 1026 114 114 VAL HG1 H 1.057 0.001 . 1027 114 114 VAL HG2 H 0.870 0.001 . 1028 114 114 VAL C C 175.825 0.000 . 1029 114 114 VAL CA C 68.042 0.000 . 1030 114 114 VAL CB C 29.089 0.000 . 1031 114 114 VAL CG1 C 22.944 0.009 . 1032 114 114 VAL CG2 C 19.786 0.009 . 1033 114 114 VAL N N 124.208 0.037 . 1034 115 115 PRO HA H 4.420 0.003 . 1035 115 115 PRO HB2 H 1.711 0.008 . 1036 115 115 PRO HB3 H 2.359 0.006 . 1037 115 115 PRO HG2 H 1.914 0.003 . 1038 115 115 PRO HG3 H 1.914 0.003 . 1039 115 115 PRO HD2 H 3.560 0.004 . 1040 115 115 PRO HD3 H 3.560 0.004 . 1041 115 115 PRO C C 177.338 0.059 . 1042 115 115 PRO CA C 64.986 0.034 . 1043 115 115 PRO CB C 30.766 0.162 . 1044 115 115 PRO CG C 27.398 0.000 . 1045 115 115 PRO CD C 49.469 0.000 . 1046 116 116 LEU H H 7.015 0.005 . 1047 116 116 LEU HA H 4.505 0.007 . 1048 116 116 LEU HB2 H 1.656 0.000 . 1049 116 116 LEU HB3 H 1.506 0.000 . 1050 116 116 LEU HG H 1.554 0.001 . 1051 116 116 LEU HD1 H 0.859 0.010 . 1052 116 116 LEU HD2 H 0.868 0.001 . 1053 116 116 LEU C C 177.564 0.031 . 1054 116 116 LEU CA C 54.555 0.145 . 1055 116 116 LEU CB C 43.821 0.079 . 1056 116 116 LEU CG C 26.741 0.000 . 1057 116 116 LEU CD1 C 25.878 0.000 . 1058 116 116 LEU CD2 C 23.115 0.000 . 1059 116 116 LEU N N 114.225 0.041 . 1060 117 117 THR H H 7.370 0.005 . 1061 117 117 THR HA H 4.074 0.005 . 1062 117 117 THR HB H 3.787 0.009 . 1063 117 117 THR HG2 H 0.297 0.004 . 1064 117 117 THR C C 174.596 0.007 . 1065 117 117 THR CA C 59.125 0.072 . 1066 117 117 THR CB C 67.715 0.006 . 1067 117 117 THR CG2 C 20.654 0.000 . 1068 117 117 THR N N 107.013 0.026 . 1069 118 118 GLN H H 8.407 0.004 . 1070 118 118 GLN HA H 4.288 0.008 . 1071 118 118 GLN HB2 H 2.084 0.004 . 1072 118 118 GLN HB3 H 2.084 0.004 . 1073 118 118 GLN HG2 H 2.430 0.000 . 1074 118 118 GLN HG3 H 2.430 0.000 . 1075 118 118 GLN C C 178.458 0.013 . 1076 118 118 GLN CA C 57.828 0.127 . 1077 118 118 GLN CB C 27.399 0.091 . 1078 118 118 GLN CG C 33.189 0.000 . 1079 118 118 GLN N N 123.692 0.088 . 1080 119 119 GLY H H 9.199 0.006 . 1081 119 119 GLY HA2 H 4.440 0.005 . 1082 119 119 GLY HA3 H 3.737 0.004 . 1083 119 119 GLY C C 174.599 0.008 . 1084 119 119 GLY CA C 45.198 0.087 . 1085 119 119 GLY N N 113.663 0.036 . 1086 120 120 PHE H H 8.259 0.003 . 1087 120 120 PHE HA H 4.776 0.007 . 1088 120 120 PHE HB2 H 3.579 0.004 . 1089 120 120 PHE HB3 H 2.347 0.005 . 1090 120 120 PHE C C 176.615 0.009 . 1091 120 120 PHE CA C 55.859 0.105 . 1092 120 120 PHE CB C 38.981 0.040 . 1093 120 120 PHE N N 119.844 0.062 . 1094 121 121 GLN H H 9.171 0.004 . 1095 121 121 GLN HA H 4.503 0.003 . 1096 121 121 GLN HB2 H 2.022 0.008 . 1097 121 121 GLN HB3 H 2.022 0.008 . 1098 121 121 GLN HG2 H 2.359 0.004 . 1099 121 121 GLN HG3 H 2.359 0.004 . 1100 121 121 GLN C C 175.774 0.013 . 1101 121 121 GLN CA C 55.153 0.158 . 1102 121 121 GLN CB C 28.703 0.025 . 1103 121 121 GLN CG C 32.117 0.000 . 1104 121 121 GLN N N 124.916 0.038 . 1105 122 122 GLY H H 9.242 0.002 . 1106 122 122 GLY HA2 H 4.784 0.003 . 1107 122 122 GLY HA3 H 3.663 0.004 . 1108 122 122 GLY C C 173.520 0.012 . 1109 122 122 GLY CA C 45.642 0.133 . 1110 122 122 GLY N N 118.342 0.077 . 1111 123 123 ILE H H 8.702 0.008 . 1112 123 123 ILE HA H 4.380 0.005 . 1113 123 123 ILE HB H 1.587 0.003 . 1114 123 123 ILE HG12 H 1.426 0.002 . 1115 123 123 ILE HG13 H 1.121 0.006 . 1116 123 123 ILE HG2 H 0.846 0.000 . 1117 123 123 ILE HD1 H 0.703 0.000 . 1118 123 123 ILE C C 173.962 0.024 . 1119 123 123 ILE CA C 59.823 0.143 . 1120 123 123 ILE CB C 41.725 0.204 . 1121 123 123 ILE CG1 C 26.936 0.000 . 1122 123 123 ILE CG2 C 16.399 0.000 . 1123 123 123 ILE CD1 C 12.443 0.000 . 1124 123 123 ILE N N 126.991 0.069 . 1125 124 124 GLN H H 9.005 0.004 . 1126 124 124 GLN HA H 4.779 0.011 . 1127 124 124 GLN HB2 H 2.117 0.004 . 1128 124 124 GLN HB3 H 2.117 0.004 . 1129 124 124 GLN HG2 H 2.407 0.006 . 1130 124 124 GLN HG3 H 2.407 0.006 . 1131 124 124 GLN C C 174.871 0.004 . 1132 124 124 GLN CA C 54.904 0.105 . 1133 124 124 GLN CB C 29.993 0.097 . 1134 124 124 GLN CG C 33.492 0.000 . 1135 124 124 GLN N N 128.006 0.068 . 1136 125 125 ALA H H 8.193 0.003 . 1137 125 125 ALA HA H 4.807 0.011 . 1138 125 125 ALA HB H 1.435 0.003 . 1139 125 125 ALA C C 173.890 0.022 . 1140 125 125 ALA CA C 51.642 0.117 . 1141 125 125 ALA CB C 21.354 0.113 . 1142 125 125 ALA N N 125.320 0.037 . 1143 126 126 ASN H H 9.126 0.004 . 1144 126 126 ASN HA H 4.349 0.006 . 1145 126 126 ASN HB2 H 2.745 0.003 . 1146 126 126 ASN HB3 H 2.634 0.002 . 1147 126 126 ASN C C 172.857 0.014 . 1148 126 126 ASN CA C 52.047 0.004 . 1149 126 126 ASN CB C 40.146 0.153 . 1150 126 126 ASN N N 119.358 0.027 . 1151 127 127 ASP H H 8.015 0.005 . 1152 127 127 ASP HA H 4.738 0.008 . 1153 127 127 ASP HB2 H 2.926 0.007 . 1154 127 127 ASP HB3 H 2.926 0.007 . 1155 127 127 ASP C C 175.888 0.005 . 1156 127 127 ASP CA C 52.603 0.029 . 1157 127 127 ASP CB C 42.579 0.057 . 1158 127 127 ASP N N 118.114 0.039 . 1159 128 128 ALA H H 9.162 0.004 . 1160 128 128 ALA HA H 3.952 0.005 . 1161 128 128 ALA HB H 1.489 0.009 . 1162 128 128 ALA C C 180.257 0.025 . 1163 128 128 ALA CA C 55.493 0.144 . 1164 128 128 ALA CB C 17.731 0.158 . 1165 128 128 ALA N N 122.718 0.040 . 1166 129 129 SER H H 8.621 0.006 . 1167 129 129 SER HA H 4.266 0.010 . 1168 129 129 SER HB2 H 3.984 0.002 . 1169 129 129 SER HB3 H 3.984 0.002 . 1170 129 129 SER C C 176.622 0.000 . 1171 129 129 SER CA C 61.423 0.094 . 1172 129 129 SER CB C 62.064 0.000 . 1173 129 129 SER N N 116.593 0.033 . 1174 130 130 GLY H H 8.037 0.003 . 1175 130 130 GLY HA2 H 4.258 0.000 . 1176 130 130 GLY HA3 H 3.934 0.011 . 1177 130 130 GLY C C 173.347 0.015 . 1178 130 130 GLY CA C 45.590 0.118 . 1179 130 130 GLY N N 108.982 0.027 . 1180 131 131 LEU H H 7.229 0.007 . 1181 131 131 LEU HA H 4.379 0.000 . 1182 131 131 LEU HB2 H 1.525 0.004 . 1183 131 131 LEU HB3 H 1.525 0.004 . 1184 131 131 LEU HG H 1.272 0.008 . 1185 131 131 LEU HD1 H -0.394 0.006 . 1186 131 131 LEU HD2 H 0.327 0.005 . 1187 131 131 LEU C C 175.712 0.022 . 1188 131 131 LEU CA C 52.548 0.117 . 1189 131 131 LEU CB C 40.847 0.013 . 1190 131 131 LEU CD1 C 23.507 0.000 . 1191 131 131 LEU CD2 C 20.083 0.000 . 1192 131 131 LEU N N 114.944 0.029 . 1193 132 132 ASP H H 6.907 0.004 . 1194 132 132 ASP HA H 4.513 0.004 . 1195 132 132 ASP HB2 H 2.774 0.009 . 1196 132 132 ASP HB3 H 2.774 0.009 . 1197 132 132 ASP C C 176.615 0.012 . 1198 132 132 ASP CA C 54.423 0.127 . 1199 132 132 ASP CB C 43.415 0.054 . 1200 132 132 ASP N N 119.118 0.022 . 1201 133 133 PHE H H 9.379 0.004 . 1202 133 133 PHE HA H 3.518 0.004 . 1203 133 133 PHE HB2 H 3.074 0.004 . 1204 133 133 PHE HB3 H 2.802 0.003 . 1205 133 133 PHE C C 177.988 0.003 . 1206 133 133 PHE CA C 62.189 0.061 . 1207 133 133 PHE CB C 39.162 0.108 . 1208 133 133 PHE N N 127.117 0.033 . 1209 134 134 GLU H H 8.772 0.004 . 1210 134 134 GLU HA H 3.873 0.003 . 1211 134 134 GLU HB2 H 2.105 0.007 . 1212 134 134 GLU HB3 H 2.105 0.007 . 1213 134 134 GLU HG2 H 2.446 0.002 . 1214 134 134 GLU HG3 H 2.446 0.002 . 1215 134 134 GLU C C 179.157 0.017 . 1216 134 134 GLU CA C 58.679 0.115 . 1217 134 134 GLU CB C 28.448 0.039 . 1218 134 134 GLU CG C 35.436 0.000 . 1219 134 134 GLU N N 118.686 0.041 . 1220 135 135 GLU H H 7.592 0.005 . 1221 135 135 GLU HA H 4.226 0.004 . 1222 135 135 GLU HG2 H 2.513 0.001 . 1223 135 135 GLU HG3 H 2.236 0.012 . 1224 135 135 GLU C C 178.611 0.029 . 1225 135 135 GLU CA C 58.030 0.090 . 1226 135 135 GLU CB C 28.839 0.109 . 1227 135 135 GLU CG C 34.513 0.000 . 1228 135 135 GLU N N 121.039 0.036 . 1229 136 136 ILE H H 8.164 0.008 . 1230 136 136 ILE HA H 3.405 0.039 . 1231 136 136 ILE HB H 1.537 0.015 . 1232 136 136 ILE HG12 H 0.877 0.005 . 1233 136 136 ILE HG13 H 1.218 0.002 . 1234 136 136 ILE HG2 H 0.175 0.003 . 1235 136 136 ILE C C 177.582 0.004 . 1236 136 136 ILE CA C 64.158 0.137 . 1237 136 136 ILE CB C 35.700 0.075 . 1238 136 136 ILE CG1 C 30.734 0.005 . 1239 136 136 ILE CG2 C 16.702 0.000 . 1240 136 136 ILE N N 119.792 0.042 . 1241 137 137 SER H H 8.225 0.004 . 1242 137 137 SER HB2 H 3.563 0.000 . 1243 137 137 SER HB3 H 3.441 0.013 . 1244 137 137 SER C C 175.489 0.000 . 1245 137 137 SER CA C 62.045 0.000 . 1246 137 137 SER CB C 62.423 0.051 . 1247 137 137 SER N N 113.680 0.035 . 1248 138 138 ARG H H 7.641 0.004 . 1249 138 138 ARG HA H 3.841 0.007 . 1250 138 138 ARG HB2 H 1.918 0.007 . 1251 138 138 ARG HB3 H 1.918 0.007 . 1252 138 138 ARG HG2 H 1.759 0.000 . 1253 138 138 ARG HG3 H 1.498 0.000 . 1254 138 138 ARG HD2 H 3.187 0.002 . 1255 138 138 ARG HD3 H 3.187 0.002 . 1256 138 138 ARG C C 179.534 0.008 . 1257 138 138 ARG CA C 59.392 0.065 . 1258 138 138 ARG CB C 29.799 0.062 . 1259 138 138 ARG CG C 27.158 0.000 . 1260 138 138 ARG CD C 42.841 0.000 . 1261 138 138 ARG N N 119.713 0.033 . 1262 139 139 LYS H H 7.678 0.006 . 1263 139 139 LYS HA H 3.908 0.011 . 1264 139 139 LYS HB2 H 1.866 0.008 . 1265 139 139 LYS HB3 H 1.625 0.000 . 1266 139 139 LYS HG2 H 1.397 0.000 . 1267 139 139 LYS HG3 H 1.397 0.000 . 1268 139 139 LYS HD2 H 1.674 0.006 . 1269 139 139 LYS HD3 H 1.674 0.006 . 1270 139 139 LYS HE2 H 3.041 0.000 . 1271 139 139 LYS HE3 H 3.041 0.000 . 1272 139 139 LYS C C 179.831 0.002 . 1273 139 139 LYS CA C 59.117 0.055 . 1274 139 139 LYS CB C 32.170 0.083 . 1275 139 139 LYS CG C 25.667 0.000 . 1276 139 139 LYS CD C 29.514 0.000 . 1277 139 139 LYS CE C 41.700 0.000 . 1278 139 139 LYS N N 119.483 0.062 . 1279 140 140 VAL H H 8.206 0.004 . 1280 140 140 VAL HA H 3.931 0.000 . 1281 140 140 VAL HB H 1.525 0.013 . 1282 140 140 VAL HG1 H 0.358 0.022 . 1283 140 140 VAL HG2 H 0.358 0.022 . 1284 140 140 VAL C C 178.172 0.046 . 1285 140 140 VAL CA C 64.777 0.082 . 1286 140 140 VAL CB C 31.220 0.077 . 1287 140 140 VAL CG1 C 20.852 0.000 . 1288 140 140 VAL N N 120.571 0.068 . 1289 141 141 LYS H H 8.034 0.006 . 1290 141 141 LYS HA H 3.878 0.002 . 1291 141 141 LYS HB2 H 1.830 0.005 . 1292 141 141 LYS HB3 H 1.625 0.006 . 1293 141 141 LYS HG2 H 1.180 0.014 . 1294 141 141 LYS HG3 H 1.180 0.014 . 1295 141 141 LYS HD2 H 1.349 0.012 . 1296 141 141 LYS HD3 H 1.349 0.012 . 1297 141 141 LYS HE2 H 2.861 0.005 . 1298 141 141 LYS HE3 H 2.861 0.005 . 1299 141 141 LYS C C 177.695 0.003 . 1300 141 141 LYS CA C 58.354 0.116 . 1301 141 141 LYS CB C 32.130 0.147 . 1302 141 141 LYS CG C 25.635 0.000 . 1303 141 141 LYS CD C 28.995 0.000 . 1304 141 141 LYS CE C 41.482 0.000 . 1305 141 141 LYS N N 117.968 0.046 . 1306 142 142 SER H H 7.588 0.005 . 1307 142 142 SER HA H 4.355 0.004 . 1308 142 142 SER HB2 H 3.930 0.003 . 1309 142 142 SER HB3 H 3.930 0.003 . 1310 142 142 SER C C 173.971 0.120 . 1311 142 142 SER CA C 58.858 0.082 . 1312 142 142 SER CB C 63.714 0.065 . 1313 142 142 SER N N 112.768 0.042 . 1314 143 143 ASN H H 7.838 0.003 . 1315 143 143 ASN HA H 4.690 0.007 . 1316 143 143 ASN HB2 H 2.898 0.004 . 1317 143 143 ASN HB3 H 2.726 0.003 . 1318 143 143 ASN C C 173.815 0.014 . 1319 143 143 ASN CA C 53.240 0.172 . 1320 143 143 ASN CB C 38.904 0.200 . 1321 143 143 ASN N N 120.442 0.032 . 1322 144 144 ARG H H 7.869 0.003 . 1323 144 144 ARG HA H 4.169 0.000 . 1324 144 144 ARG HB2 H 1.688 0.000 . 1325 144 144 ARG HB3 H 1.688 0.000 . 1326 144 144 ARG C C 176.648 0.000 . 1327 144 144 ARG CA C 57.472 0.000 . 1328 144 144 ARG CB C 31.076 0.000 . 1329 144 144 ARG N N 125.809 0.018 . stop_ save_