data_17414 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of an engineered splicing intein mutant based on Mycobacterium tuberculosis RecA ; _BMRB_accession_number 17414 _BMRB_flat_file_name bmr17414.str _Entry_type original _Submission_date 2011-01-19 _Accession_date 2011-01-19 _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 Du Zhenming . . 2 Wang Chunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 714 "13C chemical shifts" 288 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-04 original author . stop_ _Original_release_date 2012-01-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'pK(a) coupling at the intein active site: implications for the coordination mechanism of protein splicing with a conserved aspartate' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21604815 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Du Zhenming . . 2 Zheng Yuchuan . . 3 Liu Yangzhong . . 4 Belfort Marlene . . 5 Wang Chunyu . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 133 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10275 _Page_last 10282 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RecA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RecA $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RecA _Molecular_mass 15365.621 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; CLAEGTRIFDPVTGTTHRIE DVVGGRKPIHVVAAAKDGTL HARPVVSWFDQGTRDVIGLR IAGGAILWATPDHKVLTEYG WRAAGELRKGDRVAVRDVET GELRYSVIREVLPTRRARTF DLEVEELHTLVAEGVVVHN ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 LEU 3 ALA 4 GLU 5 GLY 6 THR 7 ARG 8 ILE 9 PHE 10 ASP 11 PRO 12 VAL 13 THR 14 GLY 15 THR 16 THR 17 HIS 18 ARG 19 ILE 20 GLU 21 ASP 22 VAL 23 VAL 24 GLY 25 GLY 26 ARG 27 LYS 28 PRO 29 ILE 30 HIS 31 VAL 32 VAL 33 ALA 34 ALA 35 ALA 36 LYS 37 ASP 38 GLY 39 THR 40 LEU 41 HIS 42 ALA 43 ARG 44 PRO 45 VAL 46 VAL 47 SER 48 TRP 49 PHE 50 ASP 51 GLN 52 GLY 53 THR 54 ARG 55 ASP 56 VAL 57 ILE 58 GLY 59 LEU 60 ARG 61 ILE 62 ALA 63 GLY 64 GLY 65 ALA 66 ILE 67 LEU 68 TRP 69 ALA 70 THR 71 PRO 72 ASP 73 HIS 74 LYS 75 VAL 76 LEU 77 THR 78 GLU 79 TYR 80 GLY 81 TRP 82 ARG 83 ALA 84 ALA 85 GLY 86 GLU 87 LEU 88 ARG 89 LYS 90 GLY 91 ASP 92 ARG 93 VAL 94 ALA 95 VAL 96 ARG 97 ASP 98 VAL 99 GLU 100 THR 101 GLY 102 GLU 103 LEU 104 ARG 105 TYR 106 SER 107 VAL 108 ILE 109 ARG 110 GLU 111 VAL 112 LEU 113 PRO 114 THR 115 ARG 116 ARG 117 ALA 118 ARG 119 THR 120 PHE 121 ASP 122 LEU 123 GLU 124 VAL 125 GLU 126 GLU 127 LEU 128 HIS 129 THR 130 LEU 131 VAL 132 ALA 133 GLU 134 GLY 135 VAL 136 VAL 137 VAL 138 HIS 139 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 BMRB 15560 DDI-CM 100.00 139 99.28 99.28 1.55e-90 BMRB 16634 Mtu_RecA_intein 100.00 139 98.56 99.28 4.56e-90 PDB 2IN0 "Crystal Structure Of Mtu Reca Intein Splicing Domain" 100.00 139 99.28 99.28 1.15e-90 PDB 2IN8 "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 100.00 139 99.28 99.28 1.55e-90 PDB 2IN9 "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 100.00 139 98.56 99.28 3.40e-90 PDB 2L8L "Structure Of An Engineered Splicing Intein Mutant Based On Mycobacterium Tuberculosis Reca" 100.00 139 99.28 99.28 1.15e-90 PDB 3IFJ "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 99.28 139 97.83 99.28 1.59e-88 PDB 3IGD "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 99.28 139 98.55 99.28 7.55e-89 EMBL CFR77613 "recombinase A [Mycobacterium tuberculosis]" 67.63 429 97.87 98.94 3.86e-55 EMBL CMM98736 "recombinase A [Mycobacterium tuberculosis]" 67.63 397 97.87 98.94 2.54e-56 GB EPZ65824 "LOW QUALITY PROTEIN: hypothetical protein TBKG_03998, partial [Mycobacterium tuberculosis '98-R604 INH-RIF-EM']" 67.63 609 97.87 98.94 2.96e-54 GB KAM73204 "protein RecA, partial [Mycobacterium tuberculosis TKK_04_0097]" 67.63 582 97.87 98.94 3.38e-54 REF WP_049963343 "DNA recombination protein RecA, partial [Mycobacterium tuberculosis]" 67.63 582 97.87 98.94 3.38e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'high GC Gram+' 1773 Bacteria . Mycobacterium tuberculosis 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 'recombinant technology' . Escherichia coli . pETM41 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'sodium phosphate' 50 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium azide' 1 mM . . 'natural abundance' $entity . mM 0.15 0.2 '[U-98% 13C; U-98% 15N]' 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 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ARX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ARX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HCCH-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _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' 150 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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 '3D HCCH-COSY' '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 RecA _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 CYS HA H 4.599 0.016 1 2 1 1 CYS HB2 H 2.953 0.337 2 3 1 1 CYS HB3 H 2.745 0.232 2 4 1 1 CYS CA C 56.805 0.155 1 5 1 1 CYS CB C 29.852 0.000 1 6 2 2 LEU H H 9.247 0.230 1 7 2 2 LEU HA H 5.005 0.070 1 8 2 2 LEU HB2 H 1.821 0.008 2 9 2 2 LEU HB3 H 1.582 0.064 2 10 2 2 LEU HG H 1.581 0.087 1 11 2 2 LEU HD1 H 0.899 0.023 1 12 2 2 LEU HD2 H 0.482 0.024 1 13 2 2 LEU CA C 53.355 0.033 1 14 2 2 LEU CB C 43.858 0.016 1 15 2 2 LEU CG C 26.550 0.000 1 16 2 2 LEU CD1 C 25.308 0.000 2 17 2 2 LEU CD2 C 21.631 0.038 2 18 2 2 LEU N N 122.945 0.504 1 19 3 3 ALA H H 8.186 0.015 1 20 3 3 ALA HA H 4.730 0.027 1 21 3 3 ALA HB H 1.482 0.021 1 22 3 3 ALA CA C 52.302 0.000 1 23 3 3 ALA CB C 21.769 0.051 1 24 3 3 ALA N N 121.232 0.177 1 25 4 4 GLU H H 8.746 0.016 1 26 4 4 GLU HA H 4.074 0.084 1 27 4 4 GLU HB2 H 1.746 0.023 1 28 4 4 GLU HB3 H 1.746 0.023 1 29 4 4 GLU HG2 H 2.260 0.023 2 30 4 4 GLU HG3 H 2.088 0.027 2 31 4 4 GLU CA C 57.136 0.081 1 32 4 4 GLU CB C 31.847 0.000 1 33 4 4 GLU N N 121.283 0.310 1 34 5 5 GLY H H 11.322 0.045 1 35 5 5 GLY HA2 H 4.505 0.029 2 36 5 5 GLY HA3 H 3.657 0.021 2 37 5 5 GLY CA C 44.157 0.036 1 38 5 5 GLY N N 119.858 0.280 1 39 6 6 THR H H 7.904 0.020 1 40 6 6 THR HA H 4.301 0.030 1 41 6 6 THR HB H 4.116 0.024 1 42 6 6 THR HG2 H 1.392 0.021 1 43 6 6 THR CA C 65.228 0.077 1 44 6 6 THR CB C 68.654 0.025 1 45 6 6 THR N N 117.099 0.127 1 46 7 7 ARG H H 9.530 0.015 1 47 7 7 ARG HA H 4.878 0.030 1 48 7 7 ARG HB2 H 1.837 0.027 2 49 7 7 ARG HB3 H 1.505 0.002 2 50 7 7 ARG HG2 H 1.525 0.000 2 51 7 7 ARG HG3 H 1.147 0.003 2 52 7 7 ARG HD2 H 3.311 0.000 2 53 7 7 ARG HD3 H 3.251 0.027 2 54 7 7 ARG CA C 55.868 0.032 1 55 7 7 ARG N N 130.107 0.102 1 56 8 8 ILE H H 9.573 0.025 1 57 8 8 ILE HA H 4.531 0.027 1 58 8 8 ILE HB H 1.806 0.031 1 59 8 8 ILE HG12 H 1.393 0.033 2 60 8 8 ILE HG13 H 1.330 0.051 2 61 8 8 ILE HG2 H 0.952 0.032 1 62 8 8 ILE HD1 H 0.736 0.028 1 63 8 8 ILE CA C 59.240 0.092 1 64 8 8 ILE CB C 40.450 0.131 1 65 8 8 ILE CG2 C 17.976 0.343 1 66 8 8 ILE N N 123.872 0.403 1 67 9 9 PHE H H 8.242 0.094 1 68 9 9 PHE HA H 4.832 0.024 1 69 9 9 PHE HB2 H 3.124 0.020 2 70 9 9 PHE HB3 H 2.802 0.024 2 71 9 9 PHE HD1 H 6.958 0.026 1 72 9 9 PHE HD2 H 6.958 0.026 1 73 9 9 PHE HE1 H 7.098 0.012 1 74 9 9 PHE HE2 H 7.098 0.012 1 75 9 9 PHE HZ H 7.119 0.000 1 76 9 9 PHE CA C 56.960 0.040 1 77 9 9 PHE CB C 40.542 0.028 1 78 9 9 PHE N N 129.317 0.180 1 79 10 10 ASP H H 8.258 0.014 1 80 10 10 ASP HA H 5.529 0.026 1 81 10 10 ASP HB2 H 3.168 0.029 2 82 10 10 ASP HB3 H 2.558 0.021 2 83 10 10 ASP CA C 49.160 0.068 1 84 10 10 ASP CB C 43.037 0.044 1 85 10 10 ASP N N 128.073 0.093 1 86 11 11 PRO HA H 3.974 0.009 1 87 11 11 PRO HB2 H 2.035 0.009 2 88 11 11 PRO HB3 H 1.845 0.034 2 89 11 11 PRO HD2 H 3.704 0.023 2 90 11 11 PRO HD3 H 3.552 0.026 2 91 11 11 PRO CA C 62.348 0.033 1 92 11 11 PRO CB C 30.977 0.494 1 93 12 12 VAL H H 8.926 0.013 1 94 12 12 VAL HA H 3.591 0.023 1 95 12 12 VAL HB H 2.268 0.028 1 96 12 12 VAL HG1 H 0.663 0.022 2 97 12 12 VAL HG2 H 0.234 0.027 2 98 12 12 VAL CA C 64.849 0.089 1 99 12 12 VAL N N 124.105 0.114 1 100 13 13 THR H H 7.102 0.026 1 101 13 13 THR HA H 4.228 0.023 1 102 13 13 THR HB H 4.335 0.001 1 103 13 13 THR HG2 H 1.235 0.025 1 104 13 13 THR CA C 60.944 0.028 1 105 13 13 THR CB C 69.447 0.027 1 106 13 13 THR N N 107.133 0.133 1 107 14 14 GLY H H 8.354 0.005 1 108 14 14 GLY HA2 H 4.061 0.019 2 109 14 14 GLY HA3 H 3.615 0.026 2 110 14 14 GLY CA C 45.650 0.042 1 111 14 14 GLY N N 112.897 0.093 1 112 15 15 THR H H 7.635 0.012 1 113 15 15 THR HA H 4.276 0.028 1 114 15 15 THR HB H 3.776 0.024 1 115 15 15 THR HG2 H 0.679 0.024 1 116 15 15 THR CA C 61.382 0.015 1 117 15 15 THR CB C 70.037 0.040 1 118 15 15 THR N N 117.286 0.164 1 119 16 16 THR H H 8.495 0.014 1 120 16 16 THR HA H 4.911 0.037 1 121 16 16 THR HB H 3.930 0.021 1 122 16 16 THR HG2 H 1.131 0.028 1 123 16 16 THR CA C 62.321 0.062 1 124 16 16 THR CB C 69.184 0.171 1 125 16 16 THR N N 120.518 0.254 1 126 17 17 HIS H H 8.978 0.015 1 127 17 17 HIS HA H 4.586 0.027 1 128 17 17 HIS HB2 H 2.975 0.021 2 129 17 17 HIS HB3 H 2.579 0.024 2 130 17 17 HIS HD2 H 6.790 0.025 1 131 17 17 HIS HE1 H 7.627 0.000 1 132 17 17 HIS CA C 54.406 0.138 1 133 17 17 HIS CB C 35.299 0.046 1 134 17 17 HIS N N 127.011 0.200 1 135 18 18 ARG H H 9.339 0.016 1 136 18 18 ARG HA H 4.679 0.050 1 137 18 18 ARG HB2 H 2.009 0.033 2 138 18 18 ARG HB3 H 1.680 0.011 2 139 18 18 ARG HG2 H 1.448 0.000 2 140 18 18 ARG HD2 H 3.223 0.032 2 141 18 18 ARG CA C 54.802 0.000 1 142 18 18 ARG CB C 29.657 0.000 1 143 18 18 ARG N N 120.890 0.159 1 144 19 19 ILE H H 8.953 0.038 1 145 19 19 ILE HA H 3.696 0.024 1 146 19 19 ILE HB H 1.775 0.022 1 147 19 19 ILE HG12 H 1.371 0.041 2 148 19 19 ILE HG13 H 1.084 0.058 2 149 19 19 ILE HG2 H 1.038 0.045 1 150 19 19 ILE HD1 H 0.891 0.019 1 151 19 19 ILE CA C 66.021 0.032 1 152 19 19 ILE CB C 37.936 0.029 1 153 19 19 ILE CG1 C 28.782 1.033 1 154 19 19 ILE CG2 C 17.008 0.038 1 155 19 19 ILE N N 125.005 0.187 1 156 20 20 GLU H H 10.787 0.110 1 157 20 20 GLU HA H 2.787 0.033 1 158 20 20 GLU HB2 H 1.516 0.026 2 159 20 20 GLU HG2 H 2.400 0.032 2 160 20 20 GLU HG3 H 2.141 0.028 2 161 20 20 GLU CA C 57.675 0.024 1 162 20 20 GLU CB C 28.945 0.000 1 163 20 20 GLU CG C 33.781 0.149 1 164 20 20 GLU N N 123.813 0.178 1 165 21 21 ASP H H 7.157 0.134 1 166 21 21 ASP HA H 4.489 0.045 1 167 21 21 ASP HB2 H 2.994 0.022 2 168 21 21 ASP HB3 H 2.724 0.048 2 169 21 21 ASP CA C 55.734 0.020 1 170 21 21 ASP CB C 40.038 0.013 1 171 21 21 ASP N N 123.330 1.208 1 172 22 22 VAL H H 7.371 0.023 1 173 22 22 VAL HA H 3.303 0.027 1 174 22 22 VAL HB H 2.369 0.024 1 175 22 22 VAL HG1 H 1.171 0.024 1 176 22 22 VAL HG2 H 0.902 0.026 1 177 22 22 VAL CA C 65.768 0.026 1 178 22 22 VAL CB C 31.327 0.037 1 179 22 22 VAL N N 121.407 0.395 1 180 23 23 VAL H H 8.250 0.076 1 181 23 23 VAL HA H 3.928 0.025 1 182 23 23 VAL HB H 1.839 0.031 1 183 23 23 VAL HG1 H 1.363 0.064 2 184 23 23 VAL HG2 H 1.149 0.028 2 185 23 23 VAL CA C 66.310 0.058 1 186 23 23 VAL CG2 C 20.301 0.029 2 187 23 23 VAL N N 116.800 0.318 1 188 24 24 GLY H H 8.755 0.000 1 189 24 24 GLY N N 120.577 0.000 1 190 25 25 GLY H H 7.278 0.021 1 191 25 25 GLY HA2 H 4.203 0.055 2 192 25 25 GLY HA3 H 3.183 0.033 1 193 25 25 GLY CA C 43.755 0.100 1 194 25 25 GLY N N 103.034 0.781 1 195 26 26 ARG H H 7.276 0.033 1 196 26 26 ARG HA H 1.544 0.047 1 197 26 26 ARG HB2 H 1.047 0.030 2 198 26 26 ARG HB3 H 0.766 0.052 2 199 26 26 ARG HG2 H 1.043 0.009 2 200 26 26 ARG HG3 H -0.112 0.041 2 201 26 26 ARG HD2 H 3.017 0.100 2 202 26 26 ARG HD3 H 2.892 0.000 2 203 26 26 ARG CA C 55.119 0.021 1 204 26 26 ARG CB C 26.620 0.033 1 205 26 26 ARG CG C 26.349 0.455 1 206 26 26 ARG CD C 42.475 0.000 1 207 26 26 ARG N N 122.306 0.330 1 208 27 27 LYS H H 8.051 0.072 1 209 27 27 LYS HA H 4.168 0.027 1 210 27 27 LYS HB2 H 1.573 0.015 2 211 27 27 LYS HG2 H 1.492 0.004 2 212 27 27 LYS HG3 H 1.371 0.026 2 213 27 27 LYS HE2 H 2.817 0.024 2 214 27 27 LYS CB C 33.503 0.000 1 215 27 27 LYS N N 115.887 0.313 1 216 28 28 PRO HA H 5.145 0.021 1 217 28 28 PRO HB2 H 2.464 0.002 2 218 28 28 PRO HB3 H 2.054 0.021 2 219 28 28 PRO HG2 H 2.046 0.000 2 220 28 28 PRO HD2 H 4.025 0.000 2 221 28 28 PRO HD3 H 3.668 0.010 2 222 28 28 PRO CA C 61.507 0.037 1 223 28 28 PRO CB C 27.787 0.491 1 224 28 28 PRO CD C 50.325 0.072 1 225 29 29 ILE H H 7.517 0.027 1 226 29 29 ILE HA H 4.443 0.035 1 227 29 29 ILE HB H 2.394 0.016 1 228 29 29 ILE HG12 H 1.015 0.036 2 229 29 29 ILE HG13 H 0.612 0.015 2 230 29 29 ILE HG2 H 0.404 0.000 1 231 29 29 ILE HD1 H 0.690 0.000 1 232 29 29 ILE CA C 60.723 0.048 1 233 29 29 ILE CB C 38.563 0.011 1 234 29 29 ILE CG1 C 24.608 0.332 1 235 29 29 ILE CG2 C 17.148 0.012 1 236 29 29 ILE N N 116.657 0.241 1 237 30 30 HIS H H 8.249 0.020 1 238 30 30 HIS HA H 5.152 0.022 1 239 30 30 HIS HB2 H 3.378 0.025 2 240 30 30 HIS HB3 H 2.748 0.021 2 241 30 30 HIS HD2 H 6.389 0.003 1 242 30 30 HIS CA C 55.902 0.029 1 243 30 30 HIS CB C 30.925 0.043 1 244 30 30 HIS N N 118.274 0.517 1 245 31 31 VAL H H 8.592 0.017 1 246 31 31 VAL HA H 5.212 0.033 1 247 31 31 VAL HB H 2.541 0.019 1 248 31 31 VAL HG1 H 0.823 0.022 2 249 31 31 VAL HG2 H 0.701 0.001 2 250 31 31 VAL CA C 57.692 0.063 1 251 31 31 VAL CB C 34.153 0.015 1 252 31 31 VAL CG2 C 21.549 0.000 2 253 31 31 VAL N N 107.262 0.083 1 254 32 32 VAL H H 8.830 0.038 1 255 32 32 VAL HA H 4.246 0.033 1 256 32 32 VAL HB H 2.115 0.026 1 257 32 32 VAL HG1 H 1.066 0.022 2 258 32 32 VAL HG2 H 0.909 0.021 2 259 32 32 VAL CA C 62.504 0.035 1 260 32 32 VAL CG1 C 24.399 0.013 1 261 32 32 VAL N N 119.900 0.063 1 262 33 33 ALA H H 9.248 0.021 1 263 33 33 ALA HA H 4.522 0.026 1 264 33 33 ALA HB H 1.227 0.038 1 265 33 33 ALA CA C 49.594 0.070 1 266 33 33 ALA CB C 23.635 0.000 1 267 33 33 ALA N N 128.967 0.124 1 268 34 34 ALA H H 8.117 0.021 1 269 34 34 ALA HA H 5.207 0.027 1 270 34 34 ALA HB H 1.120 0.024 1 271 34 34 ALA CA C 49.704 0.078 1 272 34 34 ALA N N 121.236 0.132 1 273 35 35 ALA H H 9.080 0.010 1 274 35 35 ALA HA H 4.633 0.029 1 275 35 35 ALA HB H 1.578 0.022 1 276 35 35 ALA CA C 50.168 0.063 1 277 35 35 ALA CB C 20.121 0.032 1 278 35 35 ALA N N 125.943 0.121 1 279 36 36 LYS H H 8.967 0.010 1 280 36 36 LYS HA H 4.272 0.185 1 281 36 36 LYS HB2 H 1.919 0.023 2 282 36 36 LYS HB3 H 1.582 0.017 2 283 36 36 LYS HD2 H 1.771 0.000 1 284 36 36 LYS CA C 58.723 0.067 1 285 36 36 LYS N N 121.159 0.074 1 286 37 37 ASP H H 7.735 0.004 1 287 37 37 ASP HA H 4.526 0.020 1 288 37 37 ASP HB2 H 3.104 0.018 2 289 37 37 ASP HB3 H 2.587 0.027 2 290 37 37 ASP CA C 52.534 0.034 1 291 37 37 ASP CB C 39.654 0.157 1 292 37 37 ASP N N 115.815 0.074 1 293 38 38 GLY H H 8.103 0.008 1 294 38 38 GLY HA2 H 4.190 0.033 2 295 38 38 GLY HA3 H 3.391 0.020 2 296 38 38 GLY CA C 45.025 0.119 1 297 38 38 GLY N N 107.649 0.076 1 298 39 39 THR H H 7.670 0.013 1 299 39 39 THR HA H 4.265 0.021 1 300 39 39 THR HB H 4.134 0.024 1 301 39 39 THR HG2 H 1.123 0.000 1 302 39 39 THR CA C 60.883 0.008 1 303 39 39 THR CB C 70.144 0.000 1 304 39 39 THR N N 110.428 0.171 1 305 40 40 LEU H H 8.207 0.018 1 306 40 40 LEU HA H 5.312 0.030 1 307 40 40 LEU HB2 H 1.676 0.026 2 308 40 40 LEU HB3 H 1.111 0.021 2 309 40 40 LEU HG H 1.608 0.011 1 310 40 40 LEU HD1 H 0.686 0.067 2 311 40 40 LEU HD2 H 0.538 0.018 2 312 40 40 LEU CA C 53.146 0.010 1 313 40 40 LEU CB C 41.870 0.032 1 314 40 40 LEU CD1 C 21.564 0.018 2 315 40 40 LEU CD2 C 21.938 0.000 2 316 40 40 LEU N N 120.829 0.208 1 317 41 41 HIS H H 9.214 0.014 1 318 41 41 HIS HA H 4.622 0.022 1 319 41 41 HIS HB2 H 3.138 0.015 2 320 41 41 HIS HB3 H 2.317 0.025 2 321 41 41 HIS HD2 H 6.708 0.023 1 322 41 41 HIS CA C 54.675 0.045 1 323 41 41 HIS CB C 35.374 0.017 1 324 41 41 HIS N N 120.175 0.174 1 325 42 42 ALA H H 9.083 0.019 1 326 42 42 ALA HA H 5.530 0.027 1 327 42 42 ALA HB H 1.261 0.023 1 328 42 42 ALA CA C 50.934 0.044 1 329 42 42 ALA CB C 18.920 0.077 1 330 42 42 ALA N N 125.084 0.157 1 331 43 43 ARG H H 8.992 0.025 1 332 43 43 ARG HA H 5.177 0.025 1 333 43 43 ARG HB2 H 1.926 0.040 2 334 43 43 ARG HB3 H 1.553 0.037 2 335 43 43 ARG HG2 H 1.53 0.016 2 336 43 43 ARG HD2 H 3.772 0.004 2 337 43 43 ARG HD3 H 3.260 0.064 2 338 43 43 ARG CA C 50.736 0.090 1 339 43 43 ARG CB C 35.105 0.373 1 340 43 43 ARG N N 124.440 0.194 1 341 44 44 PRO HA H 4.506 0.020 1 342 44 44 PRO HB2 H 1.992 0.036 2 343 44 44 PRO HB3 H 1.538 0.014 2 344 44 44 PRO HD2 H 3.783 0.006 2 345 44 44 PRO HD3 H 3.663 0.009 2 346 44 44 PRO CA C 61.661 0.071 1 347 44 44 PRO CB C 32.437 0.000 1 348 45 45 VAL H H 7.756 0.027 1 349 45 45 VAL HA H 4.195 0.033 1 350 45 45 VAL HB H 1.762 0.027 1 351 45 45 VAL HG1 H 0.775 0.024 2 352 45 45 VAL HG2 H 0.374 0.034 2 353 45 45 VAL CA C 61.770 0.034 1 354 45 45 VAL CB C 32.099 0.033 1 355 45 45 VAL CG1 C 24.144 0.000 2 356 45 45 VAL CG2 C 22.621 0.000 2 357 45 45 VAL N N 119.113 0.150 1 358 46 46 VAL H H 8.184 0.014 1 359 46 46 VAL HA H 4.117 0.027 1 360 46 46 VAL HB H 2.164 0.008 1 361 46 46 VAL HG1 H 0.720 0.018 2 362 46 46 VAL HG2 H 0.450 0.031 2 363 46 46 VAL CA C 59.689 0.025 1 364 46 46 VAL CB C 33.207 0.061 1 365 46 46 VAL N N 114.811 0.276 1 366 47 47 SER H H 6.458 0.024 1 367 47 47 SER HA H 3.992 0.061 1 368 47 47 SER HB2 H 3.228 0.029 2 369 47 47 SER CA C 56.916 0.024 1 370 47 47 SER CB C 65.285 0.000 1 371 47 47 SER N N 113.271 0.072 1 372 48 48 TRP H H 7.624 0.027 1 373 48 48 TRP HA H 4.518 0.026 1 374 48 48 TRP HB2 H 3.129 0.048 2 375 48 48 TRP HB3 H 3.129 0.048 2 376 48 48 TRP HD1 H 6.607 0.018 1 377 48 48 TRP HE1 H 9.215 0.007 1 378 48 48 TRP HE3 H 6.967 0.000 1 379 48 48 TRP HZ2 H 6.640 0.022 1 380 48 48 TRP HZ3 H 7.551 0.000 1 381 48 48 TRP HH2 H 6.964 0.019 1 382 48 48 TRP CA C 58.275 0.160 1 383 48 48 TRP CB C 32.474 0.000 1 384 48 48 TRP N N 120.998 0.294 1 385 48 48 TRP NE1 N 128.542 0.167 1 386 49 49 PHE H H 8.827 0.065 1 387 49 49 PHE HA H 5.159 0.038 1 388 49 49 PHE HB2 H 3.036 0.046 2 389 49 49 PHE HB3 H 2.618 0.113 2 390 49 49 PHE HD1 H 6.954 0.033 1 391 49 49 PHE HD2 H 6.954 0.033 1 392 49 49 PHE CA C 55.741 0.056 1 393 49 49 PHE CB C 40.992 0.179 1 394 49 49 PHE N N 120.098 0.286 1 395 50 50 ASP H H 9.052 0.015 1 396 50 50 ASP HA H 4.829 0.048 1 397 50 50 ASP HB2 H 3.085 0.020 2 398 50 50 ASP HB3 H 2.540 0.025 2 399 50 50 ASP CA C 53.464 0.099 1 400 50 50 ASP CB C 40.713 0.000 1 401 50 50 ASP N N 127.259 0.231 1 402 51 51 GLN H H 8.141 0.156 1 403 51 51 GLN HA H 4.902 0.177 1 404 51 51 GLN HB2 H 1.625 0.036 2 405 51 51 GLN HB3 H 1.543 0.015 2 406 51 51 GLN HG2 H 2.186 0.029 2 407 51 51 GLN HG3 H 1.984 0.033 2 408 51 51 GLN HE21 H 6.803 0.582 2 409 51 51 GLN HE22 H 6.919 0.935 2 410 51 51 GLN CA C 55.613 0.000 1 411 51 51 GLN N N 123.758 0.357 1 412 51 51 GLN NE2 N 111.628 1.567 1 413 52 52 GLY H H 8.120 0.132 1 414 52 52 GLY HA2 H 4.133 0.020 2 415 52 52 GLY HA3 H 3.848 0.024 2 416 52 52 GLY CA C 44.063 0.019 1 417 52 52 GLY N N 108.682 0.288 1 418 53 53 THR H H 8.579 0.017 1 419 53 53 THR HA H 4.734 0.014 1 420 53 53 THR HB H 3.856 0.026 1 421 53 53 THR HG2 H 0.929 0.025 1 422 53 53 THR CA C 62.734 0.053 1 423 53 53 THR CB C 67.881 0.010 1 424 53 53 THR N N 118.925 0.224 1 425 54 54 ARG H H 8.815 0.033 1 426 54 54 ARG HA H 4.677 0.032 1 427 54 54 ARG HB2 H 2.023 0.020 2 428 54 54 ARG HB3 H 1.308 0.032 2 429 54 54 ARG HG2 H 1.512 0.021 2 430 54 54 ARG HD2 H 3.259 0.000 2 431 54 54 ARG HD3 H 3.037 0.000 2 432 54 54 ARG CA C 53.580 0.093 1 433 54 54 ARG CB C 35.619 0.049 1 434 54 54 ARG N N 125.981 0.064 1 435 55 55 ASP H H 7.981 0.013 1 436 55 55 ASP HA H 4.973 0.025 1 437 55 55 ASP HB2 H 2.485 0.044 2 438 55 55 ASP HB3 H 2.403 0.042 2 439 55 55 ASP CA C 54.236 0.039 1 440 55 55 ASP CB C 40.704 0.040 1 441 55 55 ASP N N 119.621 0.081 1 442 56 56 VAL H H 9.459 0.015 1 443 56 56 VAL HA H 4.804 0.030 1 444 56 56 VAL HB H 2.158 0.025 1 445 56 56 VAL HG1 H 0.786 0.012 2 446 56 56 VAL HG2 H 0.730 0.022 2 447 56 56 VAL CA C 58.672 0.080 1 448 56 56 VAL CB C 34.813 0.000 1 449 56 56 VAL CG1 C 18.716 0.053 2 450 56 56 VAL N N 114.565 0.163 1 451 57 57 ILE H H 8.915 0.014 1 452 57 57 ILE HA H 4.740 0.025 1 453 57 57 ILE HB H 1.909 0.018 1 454 57 57 ILE HG12 H 1.414 0.054 2 455 57 57 ILE HG13 H 1.022 0.018 2 456 57 57 ILE HG2 H 1.004 0.012 1 457 57 57 ILE HD1 H 0.785 0.017 1 458 57 57 ILE CA C 58.799 0.059 1 459 57 57 ILE CB C 41.197 0.025 1 460 57 57 ILE CG1 C 24.298 0.000 1 461 57 57 ILE CG2 C 20.047 0.229 1 462 57 57 ILE N N 114.855 0.097 1 463 58 58 GLY H H 6.715 0.023 1 464 58 58 GLY HA2 H 4.389 0.022 2 465 58 58 GLY HA3 H 1.257 0.030 2 466 58 58 GLY CA C 43.036 0.081 1 467 58 58 GLY N N 107.378 0.102 1 468 59 59 LEU H H 8.813 0.036 1 469 59 59 LEU HA H 4.677 0.024 1 470 59 59 LEU HB2 H 1.918 0.023 2 471 59 59 LEU HB3 H 1.014 0.003 2 472 59 59 LEU HG H 1.605 0.028 1 473 59 59 LEU HD1 H 0.896 0.012 1 474 59 59 LEU CA C 52.282 0.274 1 475 59 59 LEU CB C 42.668 0.068 1 476 59 59 LEU N N 124.061 0.197 1 477 60 60 ARG H H 8.619 0.015 1 478 60 60 ARG HA H 4.799 0.047 1 479 60 60 ARG HB2 H 1.910 0.014 2 480 60 60 ARG HB3 H 1.227 0.008 2 481 60 60 ARG HG2 H 1.382 0.005 2 482 60 60 ARG HG3 H 1.184 0.003 2 483 60 60 ARG N N 124.178 0.140 1 484 61 61 ILE H H 8.906 0.044 1 485 61 61 ILE HA H 4.492 0.026 1 486 61 61 ILE HB H 1.946 0.024 1 487 61 61 ILE HG12 H 1.361 0.049 2 488 61 61 ILE HG13 H 1.220 0.005 2 489 61 61 ILE HG2 H 0.829 0.017 1 490 61 61 ILE HD1 H 0.585 0.009 1 491 61 61 ILE CA C 58.741 0.031 1 492 61 61 ILE CB C 37.622 0.588 1 493 61 61 ILE N N 128.222 0.107 1 494 62 62 ALA H H 8.500 0.019 1 495 62 62 ALA HA H 4.108 0.025 1 496 62 62 ALA HB H 1.465 0.024 1 497 62 62 ALA CA C 54.129 0.025 1 498 62 62 ALA CB C 18.002 0.000 1 499 62 62 ALA N N 128.005 0.119 1 500 63 63 GLY HA2 H 4.303 0.010 2 501 63 63 GLY HA3 H 3.766 0.005 2 502 63 63 GLY CA C 44.912 0.019 1 503 64 64 GLY H H 8.165 0.006 1 504 64 64 GLY HA2 H 4.223 0.018 2 505 64 64 GLY HA3 H 3.790 0.032 1 506 64 64 GLY CA C 44.751 0.005 1 507 64 64 GLY N N 107.906 0.119 1 508 65 65 ALA H H 7.969 0.011 1 509 65 65 ALA HA H 4.394 0.034 1 510 65 65 ALA HB H 1.411 0.026 1 511 65 65 ALA CA C 51.764 0.000 1 512 65 65 ALA CB C 19.458 0.049 1 513 65 65 ALA N N 125.759 0.133 1 514 66 66 ILE H H 7.975 0.028 1 515 66 66 ILE HA H 4.705 0.060 1 516 66 66 ILE HB H 1.463 0.032 1 517 66 66 ILE HG12 H 1.588 0.020 2 518 66 66 ILE HG13 H 0.364 0.022 2 519 66 66 ILE HG2 H -0.056 0.538 1 520 66 66 ILE HD1 H 0.824 0.000 1 521 66 66 ILE CA C 59.670 0.047 1 522 66 66 ILE CB C 40.415 0.000 1 523 66 66 ILE N N 118.136 0.179 1 524 67 67 LEU H H 8.206 0.017 1 525 67 67 LEU HA H 4.728 0.017 1 526 67 67 LEU HB2 H 1.761 0.027 2 527 67 67 LEU HB3 H 1.200 0.016 2 528 67 67 LEU HG H 1.373 0.005 1 529 67 67 LEU HD1 H 0.808 0.000 2 530 67 67 LEU HD2 H 0.941 0.021 2 531 67 67 LEU CA C 53.331 0.000 1 532 67 67 LEU CB C 44.102 0.081 1 533 67 67 LEU N N 127.715 0.095 1 534 68 68 TRP H H 9.984 0.054 1 535 68 68 TRP HA H 5.672 0.027 1 536 68 68 TRP HB2 H 3.272 0.024 2 537 68 68 TRP HB3 H 2.547 0.004 2 538 68 68 TRP HD1 H 7.220 0.022 1 539 68 68 TRP HE1 H 10.353 0.007 1 540 68 68 TRP HZ2 H 7.462 0.022 1 541 68 68 TRP HZ3 H 7.225 0.018 1 542 68 68 TRP HH2 H 7.305 0.011 1 543 68 68 TRP CA C 54.812 0.032 1 544 68 68 TRP CB C 29.742 0.075 1 545 68 68 TRP N N 129.332 0.176 1 546 68 68 TRP NE1 N 131.515 0.082 1 547 69 69 ALA H H 8.804 0.033 1 548 69 69 ALA HA H 5.243 0.021 1 549 69 69 ALA HB H 1.194 0.025 1 550 69 69 ALA CA C 49.203 0.095 1 551 69 69 ALA CB C 22.138 0.000 1 552 69 69 ALA N N 124.233 0.103 1 553 70 70 THR H H 8.747 0.066 1 554 70 70 THR HA H 5.152 0.036 1 555 70 70 THR HB H 4.807 0.028 1 556 70 70 THR HG2 H 1.483 0.016 1 557 70 70 THR CA C 60.495 0.063 1 558 70 70 THR CB C 67.570 0.015 1 559 70 70 THR CG2 C 23.730 0.026 1 560 70 70 THR N N 111.459 0.103 1 561 71 71 PRO HA H 4.165 0.022 1 562 71 71 PRO HB2 H 2.381 0.023 2 563 71 71 PRO HB3 H 2.120 0.012 2 564 71 71 PRO HG2 H 2.253 0.004 2 565 71 71 PRO HD2 H 4.026 0.001 2 566 71 71 PRO HD3 H 3.838 0.032 2 567 71 71 PRO CA C 64.390 0.064 1 568 72 72 ASP H H 8.714 0.031 1 569 72 72 ASP HA H 4.505 0.028 1 570 72 72 ASP HB2 H 2.742 0.059 2 571 72 72 ASP HB3 H 2.610 0.010 2 572 72 72 ASP CA C 52.827 0.066 1 573 72 72 ASP N N 112.234 0.140 1 574 73 73 HIS H H 8.301 0.015 1 575 73 73 HIS HA H 3.796 0.022 1 576 73 73 HIS HB2 H 3.327 0.019 2 577 73 73 HIS HB3 H 3.089 0.032 2 578 73 73 HIS HD2 H 7.159 0.026 1 579 73 73 HIS HE1 H 8.065 0.000 1 580 73 73 HIS HE2 H 8.563 0.011 1 581 73 73 HIS CA C 58.310 0.048 1 582 73 73 HIS CB C 32.385 0.233 1 583 73 73 HIS N N 125.389 0.343 1 584 74 74 LYS H H 8.374 0.012 1 585 74 74 LYS HA H 4.661 0.026 1 586 74 74 LYS HB2 H 1.526 0.023 2 587 74 74 LYS HB3 H 1.400 0.020 2 588 74 74 LYS HD2 H 1.175 0.024 2 589 74 74 LYS CA C 56.845 0.039 1 590 74 74 LYS N N 127.412 0.173 1 591 75 75 VAL H H 9.430 0.013 1 592 75 75 VAL HA H 4.754 0.047 1 593 75 75 VAL HB H 1.968 0.029 1 594 75 75 VAL HG1 H 0.967 0.023 2 595 75 75 VAL HG2 H 0.184 0.000 2 596 75 75 VAL CA C 60.739 0.030 1 597 75 75 VAL CB C 35.276 0.000 1 598 75 75 VAL CG1 C 20.928 0.000 2 599 75 75 VAL N N 125.726 0.067 1 600 76 76 LEU H H 8.312 0.062 1 601 76 76 LEU HA H 3.514 0.042 1 602 76 76 LEU HB2 H 1.441 0.036 2 603 76 76 LEU HB3 H -0.250 0.016 2 604 76 76 LEU HG H 1.031 0.046 1 605 76 76 LEU HD1 H -0.278 0.025 2 606 76 76 LEU HD2 H 0.412 0.017 2 607 76 76 LEU CA C 55.222 0.027 1 608 76 76 LEU CB C 39.052 0.028 1 609 76 76 LEU CG C 25.627 0.149 1 610 76 76 LEU CD1 C 19.386 0.068 2 611 76 76 LEU CD2 C 24.357 0.033 2 612 76 76 LEU N N 129.759 0.080 1 613 77 77 THR H H 7.367 0.021 1 614 77 77 THR HA H 5.295 0.029 1 615 77 77 THR HB H 4.943 0.409 1 616 77 77 THR HG2 H 1.296 0.018 1 617 77 77 THR CA C 59.543 0.115 1 618 77 77 THR N N 116.138 0.108 1 619 78 78 GLU H H 8.220 0.049 1 620 78 78 GLU HA H 3.558 0.034 1 621 78 78 GLU HB2 H 1.315 0.015 2 622 78 78 GLU HB3 H 1.002 0.007 2 623 78 78 GLU HG2 H 1.358 0.062 2 624 78 78 GLU HG3 H 0.902 0.061 2 625 78 78 GLU CA C 57.551 0.004 1 626 78 78 GLU CB C 28.385 0.026 1 627 78 78 GLU N N 119.986 0.117 1 628 79 79 TYR H H 7.705 0.011 1 629 79 79 TYR HA H 4.749 0.041 1 630 79 79 TYR HB2 H 3.400 0.022 2 631 79 79 TYR HB3 H 2.339 0.024 2 632 79 79 TYR HD1 H 7.032 0.019 1 633 79 79 TYR HD2 H 7.032 0.019 1 634 79 79 TYR CA C 55.553 0.032 1 635 79 79 TYR CB C 37.935 0.015 1 636 79 79 TYR N N 117.251 0.100 1 637 80 80 GLY H H 7.315 0.006 1 638 80 80 GLY HA2 H 4.641 0.026 2 639 80 80 GLY HA3 H 3.535 0.023 2 640 80 80 GLY CA C 42.757 0.010 1 641 80 80 GLY N N 106.884 0.112 1 642 81 81 TRP H H 9.028 0.051 1 643 81 81 TRP HA H 4.884 0.059 1 644 81 81 TRP HB2 H 3.185 0.016 2 645 81 81 TRP HB3 H 2.916 0.019 2 646 81 81 TRP HD1 H 7.425 0.018 1 647 81 81 TRP HE1 H 10.433 0.007 1 648 81 81 TRP HE3 H 7.217 0.024 1 649 81 81 TRP HZ2 H 7.577 0.010 1 650 81 81 TRP HZ3 H 7.139 0.062 1 651 81 81 TRP HH2 H 6.896 0.019 1 652 81 81 TRP CA C 57.790 0.091 1 653 81 81 TRP CB C 29.255 0.032 1 654 81 81 TRP N N 125.593 0.134 1 655 81 81 TRP NE1 N 130.253 0.131 1 656 82 82 ARG H H 9.420 0.020 1 657 82 82 ARG HA H 4.773 0.039 1 658 82 82 ARG HB2 H 1.809 0.019 2 659 82 82 ARG HB3 H 1.588 0.022 2 660 82 82 ARG CA C 53.895 0.143 1 661 82 82 ARG N N 124.625 0.230 1 662 83 83 ALA H H 8.771 0.005 1 663 83 83 ALA HA H 4.293 0.042 1 664 83 83 ALA HB H 1.475 0.019 1 665 83 83 ALA CA C 51.686 0.000 1 666 83 83 ALA N N 125.891 0.120 1 667 84 84 ALA H H 9.297 0.199 1 668 84 84 ALA HA H 3.930 0.019 1 669 84 84 ALA HB H 1.490 0.018 1 670 83 84 ALA CA C 55.022 0.069 1 671 84 84 ALA CB C 17.269 0.074 1 672 84 84 ALA N N 125.790 0.140 1 673 85 85 GLY H H 9.743 0.026 1 674 85 85 GLY HA2 H 3.910 0.012 1 675 85 85 GLY HA3 H 3.910 0.012 1 676 85 85 GLY N N 102.306 0.165 1 677 86 86 GLU H H 8.123 0.012 1 678 86 86 GLU HA H 4.414 0.023 1 679 86 86 GLU HB2 H 2.177 0.029 1 680 86 86 GLU HB3 H 2.177 0.029 1 681 86 86 GLU HG2 H 2.359 0.008 1 682 86 86 GLU HG3 H 2.359 0.008 1 683 86 86 GLU CA C 55.233 0.000 1 684 86 86 GLU CB C 30.231 0.000 1 685 86 86 GLU N N 117.564 0.105 1 686 87 87 LEU H H 7.174 0.014 1 687 87 87 LEU HA H 4.417 0.026 1 688 87 87 LEU HB2 H 1.914 0.025 2 689 87 87 LEU HB3 H 1.262 0.023 2 690 87 87 LEU HG H 0.780 0.024 1 691 87 87 LEU HD1 H 0.775 0.021 2 692 87 87 LEU CA C 54.274 0.058 1 693 87 87 LEU CB C 41.471 0.045 1 694 87 87 LEU CG C 24.276 0.000 1 695 87 87 LEU CD1 C 22.702 0.000 2 696 87 87 LEU N N 119.746 0.133 1 697 88 88 ARG H H 9.100 0.014 1 698 88 88 ARG HA H 4.627 0.026 1 699 88 88 ARG HB2 H 1.801 0.073 2 700 88 88 ARG HB3 H 1.612 0.025 2 701 88 88 ARG HD2 H 3.251 0.044 2 702 88 88 ARG HD3 H 3.148 0.000 2 703 88 88 ARG CA C 52.594 0.018 1 704 88 88 ARG N N 120.899 0.113 1 705 89 89 LYS H H 8.400 0.009 1 706 89 89 LYS HA H 3.669 0.024 1 707 89 89 LYS HB2 H 1.895 0.648 2 708 89 89 LYS HB3 H 2.158 0.000 2 709 89 89 LYS HG2 H 1.418 0.031 1 710 89 89 LYS HG3 H 1.251 0.000 1 711 89 89 LYS HE2 H 3.080 0.000 2 712 89 89 LYS CA C 57.770 0.076 1 713 89 89 LYS N N 119.795 0.094 1 714 90 90 GLY H H 8.864 0.017 1 715 90 90 GLY HA2 H 4.567 0.018 2 716 90 90 GLY HA3 H 3.424 0.024 2 717 90 90 GLY CA C 44.499 0.023 1 718 90 90 GLY N N 115.070 0.070 1 719 91 91 ASP H H 8.165 0.013 1 720 91 91 ASP HA H 4.716 0.019 1 721 91 91 ASP HB2 H 2.998 0.013 2 722 91 91 ASP HB3 H 2.554 0.023 2 723 91 91 ASP CA C 55.866 0.000 1 724 91 91 ASP N N 121.652 0.090 1 725 92 92 ARG H H 8.740 0.021 1 726 92 92 ARG HA H 5.241 0.023 1 727 92 92 ARG HB2 H 1.693 0.029 2 728 92 92 ARG HB3 H 1.358 0.014 2 729 92 92 ARG HG2 H 1.746 0.021 2 730 92 92 ARG HG3 H 1.292 0.014 2 731 92 92 ARG HD2 H 3.140 0.000 2 732 92 92 ARG HD3 H 2.984 0.003 2 733 92 92 ARG HH21 H 6.314 0.000 2 734 92 92 ARG CA C 54.976 0.057 1 735 92 92 ARG CB C 31.655 0.021 1 736 92 92 ARG CG C 27.374 0.032 1 737 92 92 ARG N N 117.826 0.124 1 738 93 93 VAL H H 8.831 0.012 1 739 93 93 VAL HA H 4.839 0.029 1 740 93 93 VAL HB H 2.130 0.067 1 741 93 93 VAL HG1 H 0.777 0.020 2 742 93 93 VAL HG2 H 0.416 0.025 2 743 93 93 VAL CA C 58.222 0.141 1 744 93 93 VAL N N 115.034 0.102 1 745 94 94 ALA H H 8.556 0.025 1 746 94 94 ALA HA H 4.271 0.026 1 747 94 94 ALA HB H 0.935 0.034 1 748 94 94 ALA CA C 50.975 0.235 1 749 94 94 ALA CB C 18.748 0.009 1 750 94 94 ALA N N 126.192 0.109 1 751 95 95 VAL H H 8.848 0.018 1 752 95 95 VAL HA H 5.317 0.034 1 753 95 95 VAL HB H 2.020 0.016 1 754 95 95 VAL HG1 H 0.782 0.016 2 755 95 95 VAL HG2 H 0.455 0.027 2 756 95 95 VAL CA C 57.154 0.027 1 757 95 95 VAL CB C 35.186 0.026 1 758 95 95 VAL N N 115.179 0.132 1 759 96 96 ARG H H 8.061 0.034 1 760 96 96 ARG HA H 4.230 0.035 1 761 96 96 ARG HB2 H 1.547 0.025 2 762 96 96 ARG HB3 H 1.042 0.044 2 763 96 96 ARG HG2 H 1.010 0.003 2 764 96 96 ARG HD2 H 3.103 0.006 2 765 96 96 ARG HD3 H 2.908 0.004 2 766 96 96 ARG CA C 53.613 0.428 1 767 96 96 ARG CB C 31.697 0.318 1 768 96 96 ARG N N 119.288 0.111 1 769 97 97 ASP H H 8.863 0.011 1 770 97 97 ASP HA H 4.415 0.026 1 771 97 97 ASP HB2 H 2.805 0.150 2 772 97 97 ASP HB3 H 2.254 0.022 2 773 97 97 ASP CA C 53.887 0.115 1 774 97 97 ASP CB C 42.723 0.023 1 775 97 97 ASP N N 131.180 0.077 1 776 98 98 VAL H H 8.404 0.006 1 777 98 98 VAL HA H 3.489 0.023 1 778 98 98 VAL HB H 1.965 0.030 1 779 98 98 VAL HG1 H 0.837 0.018 2 780 98 98 VAL CA C 64.431 0.036 1 781 98 98 VAL CB C 31.047 0.089 1 782 98 98 VAL N N 126.152 0.077 1 783 99 99 GLU H H 8.161 0.004 1 784 99 99 GLU HA H 4.127 0.021 1 785 99 99 GLU HB2 H 2.127 0.035 2 786 99 99 GLU HB3 H 2.072 0.031 2 787 99 99 GLU HG2 H 2.264 0.002 2 788 99 99 GLU HG3 H 2.264 0.002 2 789 99 99 GLU CA C 58.178 0.056 1 790 99 99 GLU CB C 29.591 0.073 1 791 99 99 GLU CG C 36.070 0.000 1 792 99 99 GLU N N 118.883 0.091 1 793 100 100 THR H H 7.981 0.008 1 794 100 100 THR HA H 4.316 0.022 1 795 100 100 THR HB H 4.213 0.003 1 796 100 100 THR HG2 H 1.139 0.025 1 797 100 100 THR CA C 61.407 0.025 1 798 100 100 THR CB C 70.856 0.035 1 799 100 100 THR N N 106.301 0.088 1 800 101 101 GLY H H 8.157 0.011 1 801 101 101 GLY HA2 H 4.027 0.026 2 802 101 101 GLY HA3 H 3.456 0.022 2 803 101 101 GLY CA C 45.284 0.054 1 804 101 101 GLY N N 111.204 0.078 1 805 102 102 GLU H H 7.489 0.006 1 806 102 102 GLU HA H 4.301 0.025 1 807 102 102 GLU HB2 H 1.740 0.023 2 808 102 102 GLU HB3 H 1.947 0.038 2 809 102 102 GLU HG2 H 2.104 0.045 2 810 102 102 GLU HG3 H 2.264 0.000 2 811 102 102 GLU CA C 55.160 0.201 1 812 102 102 GLU CB C 31.769 0.000 1 813 102 102 GLU CG C 36.012 0.000 1 814 102 102 GLU N N 118.458 0.077 1 815 103 103 LEU H H 8.353 0.009 1 816 103 103 LEU HA H 4.716 0.021 1 817 103 103 LEU HB2 H 1.441 0.027 2 818 103 103 LEU HB3 H 1.330 0.027 2 819 103 103 LEU HG H 0.469 0.009 1 820 103 103 LEU HD1 H 0.643 0.000 2 821 103 103 LEU HD2 H 0.487 0.029 2 822 103 103 LEU CA C 54.930 0.000 1 823 103 103 LEU CB C 42.346 0.015 1 824 103 103 LEU N N 121.701 0.084 1 825 104 104 ARG H H 9.041 0.010 1 826 104 104 ARG HA H 4.403 0.025 1 827 104 104 ARG HB2 H 1.829 0.023 2 828 104 104 ARG HB3 H 1.517 0.029 2 829 104 104 ARG HG2 H 1.339 0.008 2 830 104 104 ARG HD2 H 3.259 0.002 2 831 104 104 ARG HD3 H 3.094 0.010 2 832 104 104 ARG CA C 53.201 0.052 1 833 104 104 ARG CB C 32.989 0.021 1 834 104 104 ARG N N 127.157 0.088 1 835 105 105 TYR H H 8.303 0.008 1 836 105 105 TYR HA H 5.490 0.020 1 837 105 105 TYR HB2 H 2.620 0.026 2 838 105 105 TYR HB3 H 2.534 0.040 2 839 105 105 TYR HD1 H 6.680 0.025 1 840 105 105 TYR HD2 H 6.680 0.025 1 841 105 105 TYR HE1 H 6.317 0.019 1 842 105 105 TYR HE2 H 6.317 0.019 1 843 105 105 TYR CA C 56.831 0.055 1 844 105 105 TYR CB C 40.116 0.042 1 845 105 105 TYR N N 116.202 0.090 1 846 106 106 SER H H 9.254 0.026 1 847 106 106 SER HA H 4.807 0.314 1 848 106 106 SER HB2 H 3.681 0.020 2 849 106 106 SER HB3 H 3.490 0.028 2 850 106 106 SER CA C 55.888 0.112 1 851 106 106 SER CB C 66.301 0.026 1 852 106 106 SER N N 118.250 0.096 1 853 107 107 VAL H H 8.279 0.011 1 854 107 107 VAL HA H 4.423 0.029 1 855 107 107 VAL HB H 1.866 0.024 1 856 107 107 VAL HG1 H 0.915 0.004 2 857 107 107 VAL HG2 H 0.833 0.020 2 858 107 107 VAL CA C 61.369 0.042 1 859 107 107 VAL CB C 33.633 0.156 1 860 107 107 VAL N N 122.160 0.138 1 861 108 108 ILE H H 8.694 0.023 1 862 108 108 ILE HA H 4.100 0.027 1 863 108 108 ILE HB H 2.013 0.028 1 864 108 108 ILE HG2 H 0.835 0.012 1 865 108 108 ILE HD1 H 0.630 0.023 1 866 108 108 ILE CA C 61.321 0.026 1 867 108 108 ILE CB C 37.408 0.034 1 868 108 108 ILE N N 123.427 0.087 1 869 109 109 ARG H H 9.431 0.021 1 870 109 109 ARG HA H 4.254 0.025 1 871 109 109 ARG HB2 H 1.563 0.172 2 872 109 109 ARG HB3 H 1.430 0.022 2 873 109 109 ARG HG2 H 0.600 0.001 2 874 109 109 ARG HG3 H 0.796 0.012 2 875 109 109 ARG HD2 H 3.131 0.026 2 876 109 109 ARG CA C 55.904 0.047 1 877 109 109 ARG N N 130.207 0.066 1 878 110 110 GLU H H 7.574 0.014 1 879 110 110 GLU HA H 4.274 0.020 1 880 110 110 GLU HB2 H 1.974 0.026 2 881 110 110 GLU HB3 H 1.766 0.030 2 882 110 110 GLU HG2 H 2.200 0.032 1 883 110 110 GLU HG3 H 2.200 0.032 1 884 110 110 GLU CA C 55.889 0.063 1 885 110 110 GLU CB C 33.186 0.169 1 886 110 110 GLU N N 116.804 0.102 1 887 111 111 VAL H H 8.703 0.028 1 888 111 111 VAL HA H 4.709 0.028 1 889 111 111 VAL HB H 1.906 0.029 1 890 111 111 VAL HG1 H 0.892 0.039 2 891 111 111 VAL HG2 H 0.775 0.026 2 892 111 111 VAL CA C 60.903 0.017 1 893 111 111 VAL CB C 31.927 0.043 1 894 111 111 VAL N N 125.709 0.079 1 895 112 112 LEU H H 9.829 0.033 1 896 112 112 LEU HA H 4.741 0.026 1 897 112 112 LEU HB2 H 1.065 0.068 2 898 112 112 LEU HB3 H 1.807 0.016 2 899 112 112 LEU HG H 1.484 0.027 1 900 112 112 LEU HD1 H 0.833 0.013 2 901 112 112 LEU HD2 H 0.667 0.024 2 902 112 112 LEU CA C 52.655 0.125 1 903 112 112 LEU CB C 40.998 0.101 1 904 112 112 LEU CG C 27.976 0.656 1 905 112 112 LEU CD1 C 23.675 0.000 2 906 112 112 LEU CD2 C 25.237 0.000 2 907 112 112 LEU N N 132.638 0.086 1 908 113 113 PRO HA H 4.532 0.015 1 909 113 113 PRO HB2 H 2.459 0.015 2 910 113 113 PRO HB3 H 2.107 0.014 2 911 113 113 PRO HG2 H 2.273 0.000 2 912 113 113 PRO HD2 H 3.943 0.029 2 913 113 113 PRO HD3 H 3.745 0.007 2 914 113 113 PRO CA C 61.916 0.133 1 915 113 113 PRO CB C 32.608 0.069 1 916 113 113 PRO CG C 27.510 0.000 1 917 114 114 THR H H 7.689 0.014 1 918 114 114 THR HA H 4.973 0.028 1 919 114 114 THR HB H 3.918 0.044 1 920 114 114 THR HG2 H 1.161 0.020 1 921 114 114 THR CA C 61.865 0.055 1 922 114 114 THR CB C 69.345 0.000 1 923 114 114 THR N N 112.542 0.134 1 924 115 115 ARG H H 9.112 0.007 1 925 115 115 ARG HA H 4.694 0.025 1 926 115 115 ARG HB2 H 1.624 0.037 2 927 115 115 ARG HB3 H 1.260 0.010 2 928 115 115 ARG HG2 H 1.207 0.041 2 929 115 115 ARG HG3 H 0.784 0.027 2 930 115 115 ARG HD2 H 2.603 0.017 2 931 115 115 ARG HD3 H 2.302 0.020 2 932 115 115 ARG HE H 2.876 0.020 1 933 115 115 ARG CA C 54.302 0.000 1 934 115 115 ARG CB C 32.684 0.000 1 935 115 115 ARG CG C 25.599 0.470 1 936 115 115 ARG CD C 42.797 0.012 1 937 115 115 ARG N N 123.213 0.066 1 938 115 115 ARG NE N 124.495 0.657 1 939 116 116 ARG H H 8.351 0.017 1 940 116 116 ARG HA H 4.879 0.050 1 941 116 116 ARG HB2 H 1.595 0.032 2 942 116 116 ARG HB3 H 1.411 0.036 2 943 116 116 ARG HG2 H 1.575 0.023 2 944 116 116 ARG HD2 H 3.155 0.024 2 945 116 116 ARG HD3 H 3.031 0.027 2 946 116 116 ARG CA C 54.554 0.160 1 947 116 116 ARG CB C 30.285 0.026 1 948 116 116 ARG CG C 26.246 0.000 1 949 116 116 ARG CD C 42.090 0.453 1 950 116 116 ARG N N 119.004 0.102 1 951 117 117 ALA H H 8.686 0.050 1 952 117 117 ALA HA H 4.599 0.034 1 953 117 117 ALA HB H 1.230 0.021 1 954 117 117 ALA CA C 50.434 0.029 1 955 117 117 ALA CB C 23.139 0.033 1 956 117 117 ALA N N 124.834 0.145 1 957 118 118 ARG H H 8.697 0.031 1 958 118 118 ARG HA H 3.925 0.042 1 959 118 118 ARG HB2 H 1.929 0.004 2 960 118 118 ARG HB3 H 1.830 0.042 2 961 118 118 ARG HG2 H 1.607 0.010 2 962 118 118 ARG HG3 H 1.187 0.000 2 963 118 118 ARG HD2 H 3.194 0.042 2 964 118 118 ARG CA C 57.559 0.042 1 965 118 118 ARG CB C 30.409 0.000 1 966 118 118 ARG N N 120.885 0.070 1 967 119 119 THR H H 7.683 0.067 1 968 119 119 THR HA H 5.309 0.026 1 969 119 119 THR HB H 3.692 0.017 1 970 119 119 THR HG2 H 0.861 0.020 1 971 119 119 THR CA C 60.071 0.084 1 972 119 119 THR CB C 72.737 0.068 1 973 119 119 THR N N 111.492 0.176 1 974 120 120 PHE H H 8.884 0.081 1 975 120 120 PHE HA H 5.311 0.041 1 976 120 120 PHE HB2 H 3.391 0.028 2 977 120 120 PHE HB3 H 2.541 0.040 2 978 120 120 PHE HD1 H 7.344 0.019 1 979 120 120 PHE HD2 H 7.344 0.019 1 980 120 120 PHE CA C 57.898 0.053 1 981 120 120 PHE CB C 46.203 0.062 1 982 120 120 PHE N N 113.949 0.373 1 983 121 121 ASP H H 9.351 0.003 1 984 121 121 ASP HA H 5.352 0.034 1 985 121 121 ASP HB2 H 3.035 0.017 2 986 121 121 ASP HB3 H 2.460 0.020 2 987 121 121 ASP CA C 55.227 0.000 1 988 121 121 ASP CB C 47.673 0.000 1 989 121 121 ASP N N 118.841 0.053 1 990 122 122 LEU H H 8.514 0.208 1 991 122 122 LEU HA H 4.809 0.032 1 992 122 122 LEU HB2 H 1.404 0.034 2 993 122 122 LEU HB3 H 1.303 0.019 2 994 122 122 LEU HG H 1.577 0.004 1 995 122 122 LEU HD1 H 1.020 0.027 2 996 122 122 LEU HD2 H 0.803 0.017 2 997 122 122 LEU CB C 45.915 0.051 1 998 122 122 LEU N N 118.637 0.321 1 999 123 123 GLU H H 7.137 0.088 1 1000 123 123 GLU HA H 4.515 0.026 1 1001 123 123 GLU HB2 H 1.604 0.025 2 1002 123 123 GLU HB3 H 1.220 0.000 2 1003 123 123 GLU HG2 H 2.134 0.020 2 1004 123 123 GLU HG3 H 1.812 0.000 2 1005 123 123 GLU CA C 54.697 0.047 1 1006 123 123 GLU N N 118.694 0.249 1 1007 124 124 VAL H H 8.762 0.038 1 1008 124 124 VAL HA H 4.065 0.031 1 1009 124 124 VAL HB H 1.557 0.074 1 1010 124 124 VAL HG1 H 0.951 0.005 2 1011 124 124 VAL HG2 H 0.830 0.016 2 1012 124 124 VAL CA C 61.193 0.008 1 1013 124 124 VAL CB C 33.607 0.269 1 1014 124 124 VAL CG1 C 20.478 0.168 2 1015 124 124 VAL CG2 C 21.726 0.919 2 1016 124 124 VAL N N 129.259 0.114 1 1017 125 125 GLU H H 8.037 0.012 1 1018 125 125 GLU HA H 3.672 0.032 1 1019 125 125 GLU HB2 H 2.119 0.009 2 1020 125 125 GLU CA C 58.494 0.000 1 1021 125 125 GLU CB C 30.552 0.000 1 1022 125 125 GLU N N 128.432 0.093 1 1023 126 126 GLU H H 8.505 0.010 1 1024 126 126 GLU HA H 3.570 0.035 1 1025 126 126 GLU HB2 H 2.638 0.015 2 1026 126 126 GLU HB3 H 1.957 0.025 2 1027 126 126 GLU HG2 H 2.281 0.008 2 1028 126 126 GLU HG3 H 1.840 0.004 2 1029 126 126 GLU CA C 61.229 0.062 1 1030 126 126 GLU CB C 29.621 0.278 1 1031 126 126 GLU CG C 35.092 0.033 1 1032 126 126 GLU N N 120.993 0.097 1 1033 127 127 LEU H H 9.417 0.013 1 1034 127 127 LEU HA H 4.205 0.015 1 1035 127 127 LEU HB2 H 1.514 0.016 2 1036 127 127 LEU HB3 H 1.292 0.003 2 1037 127 127 LEU HG H 1.545 0.016 1 1038 127 127 LEU HD1 H 0.772 0.019 2 1039 127 127 LEU HD2 H 0.614 0.000 2 1040 127 127 LEU CA C 55.681 0.041 1 1041 127 127 LEU N N 120.945 0.136 1 1042 128 128 HIS HA H 4.584 0.035 1 1043 128 128 HIS HB2 H 3.183 0.019 1 1044 128 128 HIS HD2 H 7.211 0.000 1 1045 128 128 HIS CA C 54.566 0.000 1 1046 128 128 HIS CB C 26.062 0.000 1 1047 129 129 THR H H 6.925 0.026 1 1048 129 129 THR HA H 4.899 0.037 1 1049 129 129 THR HB H 4.481 0.018 1 1050 129 129 THR HG2 H 1.436 0.021 1 1051 129 129 THR CA C 58.380 0.030 1 1052 129 129 THR CB C 72.980 0.040 1 1053 129 129 THR N N 105.639 0.127 1 1054 130 130 LEU H H 9.060 0.058 1 1055 130 130 LEU HA H 5.537 0.031 1 1056 130 130 LEU HB2 H 1.983 0.014 1 1057 130 130 LEU HB3 H 1.504 0.019 1 1058 130 130 LEU HG H 0.815 0.017 1 1059 130 130 LEU HD1 H 1.548 0.000 2 1060 130 130 LEU CA C 54.683 0.052 1 1061 130 130 LEU CB C 44.277 0.170 1 1062 130 130 LEU CG C 27.322 0.069 1 1063 130 130 LEU CD1 C 25.897 0.000 2 1064 130 130 LEU N N 111.598 0.067 1 1065 131 131 VAL H H 7.506 0.040 1 1066 131 131 VAL HA H 4.830 0.036 1 1067 131 131 VAL HB H 2.273 0.025 1 1068 131 131 VAL HG1 H 0.761 0.026 2 1069 131 131 VAL HG2 H 0.643 0.027 2 1070 131 131 VAL CA C 61.285 0.072 1 1071 131 131 VAL CB C 30.272 0.000 1 1072 131 131 VAL CG1 C 22.094 0.126 2 1073 131 131 VAL N N 119.670 0.149 1 1074 132 132 ALA H H 9.714 0.017 1 1075 132 132 ALA HA H 4.931 0.044 1 1076 132 132 ALA HB H 1.160 0.021 1 1077 132 132 ALA CA C 49.999 0.038 1 1078 132 132 ALA CB C 21.422 0.000 1 1079 132 132 ALA N N 134.824 0.173 1 1080 133 133 GLU H H 9.084 0.027 1 1081 133 133 GLU HA H 3.826 0.023 1 1082 133 133 GLU HB2 H 2.558 0.024 2 1083 133 133 GLU HB3 H 2.135 0.018 2 1084 133 133 GLU HG2 H 2.944 0.020 2 1085 133 133 GLU HG3 H 2.515 0.022 2 1086 133 133 GLU CA C 57.065 0.015 1 1087 133 133 GLU CB C 26.406 0.010 1 1088 133 133 GLU CG C 35.851 0.011 1 1089 133 133 GLU N N 118.979 0.344 1 1090 134 134 GLY H H 7.230 0.031 1 1091 134 134 GLY HA2 H 4.205 0.021 2 1092 134 134 GLY HA3 H 3.341 0.024 2 1093 134 134 GLY CA C 45.352 0.087 1 1094 134 134 GLY N N 100.017 0.077 1 1095 135 135 VAL H H 8.061 0.021 1 1096 135 135 VAL HA H 4.560 0.021 1 1097 135 135 VAL HB H 2.243 0.049 1 1098 135 135 VAL HG1 H 0.916 0.054 1 1099 135 135 VAL HG2 H 0.854 0.028 1 1100 135 135 VAL CA C 60.885 0.066 1 1101 135 135 VAL CB C 32.542 0.455 1 1102 135 135 VAL CG2 C 21.960 0.000 2 1103 135 135 VAL N N 122.381 0.084 1 1104 136 136 VAL H H 8.297 0.017 1 1105 136 136 VAL HA H 4.254 0.026 1 1106 136 136 VAL HB H 1.989 0.029 1 1107 136 136 VAL HG1 H 0.832 0.012 1 1108 136 136 VAL HG2 H 0.624 0.027 1 1109 136 136 VAL CA C 63.608 0.024 1 1110 136 136 VAL CB C 30.519 0.861 1 1111 136 136 VAL CG2 C 19.834 0.815 2 1112 136 136 VAL N N 126.302 0.097 1 1113 137 137 VAL H H 9.373 0.021 1 1114 137 137 VAL HA H 5.743 0.028 1 1115 137 137 VAL HB H 2.787 0.019 1 1116 137 137 VAL HG1 H 1.170 0.015 1 1117 137 137 VAL HG2 H 1.109 0.006 2 1118 137 137 VAL CA C 58.252 0.059 1 1119 137 137 VAL CB C 36.378 0.255 1 1120 137 137 VAL CG2 C 22.834 0.033 1 1121 137 137 VAL N N 118.757 0.247 1 1122 138 138 HIS H H 8.531 0.037 1 1123 138 138 HIS HA H 4.434 0.051 1 1124 138 138 HIS HB2 H 2.889 0.063 2 1125 138 138 HIS HB3 H 2.487 0.021 2 1126 138 138 HIS HD2 H 6.346 0.000 1 1127 138 138 HIS CA C 56.439 0.019 1 1128 138 138 HIS CB C 30.583 0.042 1 1129 138 138 HIS N N 120.902 0.373 1 1130 139 139 ASN H H 7.868 0.051 1 1131 139 139 ASN HA H 4.177 0.034 1 1132 139 139 ASN HB2 H 3.278 0.041 2 1133 139 139 ASN HB3 H 1.917 0.027 2 1134 139 139 ASN HD21 H 7.359 0.003 2 1135 139 139 ASN HD22 H 8.132 0.016 2 1136 139 139 ASN CA C 55.599 0.000 1 1137 139 139 ASN CB C 38.931 0.091 1 1138 139 139 ASN N N 126.624 0.238 1 1139 139 139 ASN ND2 N 114.203 0.096 1 stop_ save_