data_17991 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; WSA major conformation ; _BMRB_accession_number 17991 _BMRB_flat_file_name bmr17991.str _Entry_type original _Submission_date 2011-10-11 _Accession_date 2011-10-11 _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 Xu Yan . . 2 Mowrey David . . 3 Cui Tanxing . . 4 Perez-Aguilar Jose M. . 5 Saven Jeffrey G. . 6 Eckenhoff Roderic . . 7 Tang Pei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 689 "13C chemical shifts" 334 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-14 update BMRB 'update entry citation' 2012-01-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17992 'NMR Structure and Dynamics of Water-Solubilized Transmembrane Domains of Nicotinic Acetylcholine Receptor' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure and dynamics of a designed water-soluble transmembrane domain of nicotinic acetylcholine receptor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22155685 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Tanxing . . 2 Mowrey David . . 3 Bondarenko Vasyl . . 4 Tillman Tommy . . 5 Ma Dejian . . 6 Landrum Elizabeth . . 7 Perez-Aguilar 'Jose Manuel' . . 8 He Jing . . 9 Wang Wei . . 10 Saven Jeffery G. . 11 Eckenhoff Roderic G. . 12 Tang Pei . . 13 Xu Yan . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1818 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 617 _Page_last 626 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nicotinic_Acetylcholine_Receptor _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Nicotinic_Acetylcholine_Receptor $Nicotinic_Acetylcholine_Receptor 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_Nicotinic_Acetylcholine_Receptor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 15558.247 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MAHHHHHHAMVIDHILKCVF DKICKIGTESVEAGRLIELS QEGGGGGGPLYFVVNVIEPC KKFSELTGLVFYLPTDSGEK MTESKSVLKSLTEKLKKIVE LIPSTSSAVPLIGKYMLFTK EFVESSIKITEEVINTHHRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 ALA 10 10 MET 11 11 VAL 12 12 ILE 13 13 ASP 14 14 HIS 15 15 ILE 16 16 LEU 17 17 LYS 18 18 CYS 19 19 VAL 20 20 PHE 21 21 ASP 22 22 LYS 23 23 ILE 24 24 CYS 25 25 LYS 26 26 ILE 27 27 GLY 28 28 THR 29 29 GLU 30 30 SER 31 31 VAL 32 32 GLU 33 33 ALA 34 34 GLY 35 35 ARG 36 36 LEU 37 37 ILE 38 38 GLU 39 39 LEU 40 40 SER 41 41 GLN 42 42 GLU 43 43 GLY 44 44 GLY 45 45 GLY 46 46 GLY 47 47 GLY 48 48 GLY 49 49 PRO 50 50 LEU 51 51 TYR 52 52 PHE 53 53 VAL 54 54 VAL 55 55 ASN 56 56 VAL 57 57 ILE 58 58 GLU 59 59 PRO 60 60 CYS 61 61 LYS 62 62 LYS 63 63 PHE 64 64 SER 65 65 GLU 66 66 LEU 67 67 THR 68 68 GLY 69 69 LEU 70 70 VAL 71 71 PHE 72 72 TYR 73 73 LEU 74 74 PRO 75 75 THR 76 76 ASP 77 77 SER 78 78 GLY 79 79 GLU 80 80 LYS 81 81 MET 82 82 THR 83 83 GLU 84 84 SER 85 85 LYS 86 86 SER 87 87 VAL 88 88 LEU 89 89 LYS 90 90 SER 91 91 LEU 92 92 THR 93 93 GLU 94 94 LYS 95 95 LEU 96 96 LYS 97 97 LYS 98 98 ILE 99 99 VAL 100 100 GLU 101 101 LEU 102 102 ILE 103 103 PRO 104 104 SER 105 105 THR 106 106 SER 107 107 SER 108 108 ALA 109 109 VAL 110 110 PRO 111 111 LEU 112 112 ILE 113 113 GLY 114 114 LYS 115 115 TYR 116 116 MET 117 117 LEU 118 118 PHE 119 119 THR 120 120 LYS 121 121 GLU 122 122 PHE 123 123 VAL 124 124 GLU 125 125 SER 126 126 SER 127 127 ILE 128 128 LYS 129 129 ILE 130 130 THR 131 131 GLU 132 132 GLU 133 133 VAL 134 134 ILE 135 135 ASN 136 136 THR 137 137 HIS 138 138 HIS 139 139 ARG 140 140 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 17992 Nicotinic_Acetylcholine_Receptor 100.00 140 100.00 100.00 2.91e-94 PDB 2LKG "Wsa Major Conformation" 100.00 140 100.00 100.00 2.91e-94 PDB 2LKH "Wsa Minor Conformation" 100.00 140 100.00 100.00 2.91e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nicotinic_Acetylcholine_Receptor 'Marbled electric ray' 7788 Eukaryota Metazoa Torpedo marmorata 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 $Nicotinic_Acetylcholine_Receptor 'recombinant technology' . Escherichia coli . NA 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 'sodium phosphate' 20 mM 'natural abundance' LPPG 2 % 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HN(CO)CA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 5.8 . pH pressure 1 . atm temperature 273 . 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 0.0 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' '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 Nicotinic_Acetylcholine_Receptor _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 8 8 HIS H H 8.686 0.000 1 2 8 8 HIS HA H 4.738 0.018 1 3 8 8 HIS HB2 H 3.242 0.024 2 4 8 8 HIS HB3 H 3.242 0.024 2 5 8 8 HIS HD2 H 7.314 0.014 1 6 8 8 HIS CA C 55.776 0.204 1 7 8 8 HIS CB C 29.344 0.132 1 8 9 9 ALA H H 8.457 0.020 1 9 9 9 ALA HA H 4.387 0.016 1 10 9 9 ALA HB H 1.519 0.009 . 11 9 9 ALA CA C 53.287 0.080 1 12 9 9 ALA CB C 19.175 0.124 1 13 9 9 ALA N N 124.079 0.045 1 14 10 10 MET H H 8.545 0.022 1 15 10 10 MET HA H 4.390 0.009 1 16 10 10 MET HB2 H 2.181 0.022 2 17 10 10 MET HB3 H 2.181 0.022 2 18 10 10 MET HG2 H 2.699 0.015 2 19 10 10 MET HG3 H 2.699 0.015 2 20 10 10 MET HE H 2.154 0.005 . 21 10 10 MET CA C 57.753 0.196 1 22 10 10 MET CB C 32.355 0.049 1 23 10 10 MET CG C 32.609 0.060 1 24 10 10 MET CE C 17.151 0.097 1 25 10 10 MET N N 120.430 0.102 1 26 11 11 VAL H H 8.339 0.022 1 27 11 11 VAL HA H 4.016 0.020 1 28 11 11 VAL HB H 2.256 0.021 1 29 11 11 VAL HG2 H 1.067 0.030 . 30 11 11 VAL CA C 65.271 0.037 1 31 11 11 VAL CB C 31.611 0.000 1 32 11 11 VAL CG2 C 21.471 0.002 2 33 11 11 VAL N N 119.159 0.075 1 34 12 12 ILE H H 7.705 0.017 1 35 12 12 ILE HA H 3.953 0.019 1 36 12 12 ILE HB H 1.731 0.012 1 37 12 12 ILE HG12 H 1.295 0.013 . 38 12 12 ILE HG13 H 1.295 0.013 . 39 12 12 ILE HG2 H 0.993 0.017 . 40 12 12 ILE HD1 H 0.919 0.018 . 41 12 12 ILE CA C 64.334 0.023 1 42 12 12 ILE CB C 37.496 0.000 1 43 12 12 ILE CG2 C 17.866 0.000 1 44 12 12 ILE CD1 C 13.210 0.063 1 45 12 12 ILE N N 119.461 0.096 1 46 13 13 ASP H H 8.172 0.013 1 47 13 13 ASP HA H 4.384 0.000 1 48 13 13 ASP HB2 H 2.902 0.010 2 49 13 13 ASP HB3 H 2.902 0.010 2 50 13 13 ASP CA C 57.524 0.084 1 51 13 13 ASP CB C 39.412 0.125 1 52 13 13 ASP N N 119.460 0.050 1 53 14 14 HIS H H 8.138 0.009 1 54 14 14 HIS HA H 4.540 0.019 1 55 14 14 HIS HB2 H 3.499 0.013 2 56 14 14 HIS HB3 H 3.499 0.013 2 57 14 14 HIS HD2 H 7.351 0.000 1 58 14 14 HIS CA C 58.748 0.012 1 59 14 14 HIS CB C 28.652 0.207 1 60 14 14 HIS N N 116.421 0.098 1 61 15 15 ILE H H 8.224 0.016 1 62 15 15 ILE HA H 3.808 0.014 1 63 15 15 ILE HB H 2.064 0.000 1 64 15 15 ILE HG12 H 1.290 0.006 . 65 15 15 ILE HG13 H 1.290 0.006 . 66 15 15 ILE HG2 H 1.021 0.000 . 67 15 15 ILE CA C 65.404 0.030 1 68 15 15 ILE CB C 37.787 0.000 1 69 15 15 ILE N N 119.970 0.104 1 70 16 16 LEU H H 8.480 0.005 1 71 16 16 LEU HA H 3.992 0.003 1 72 16 16 LEU HB2 H 2.005 0.014 2 73 16 16 LEU HB3 H 2.005 0.014 2 74 16 16 LEU HG H 1.492 0.027 1 75 16 16 LEU HD1 H 0.935 0.020 . 76 16 16 LEU HD2 H 0.935 0.020 . 77 16 16 LEU CA C 58.786 0.257 1 78 16 16 LEU N N 118.635 0.084 1 79 17 17 LYS H H 8.098 0.011 1 80 17 17 LYS HA H 4.094 0.017 1 81 17 17 LYS HB2 H 2.055 0.000 2 82 17 17 LYS HB3 H 2.055 0.000 2 83 17 17 LYS HE2 H 3.304 0.005 2 84 17 17 LYS HE3 H 3.304 0.005 2 85 17 17 LYS CA C 59.882 0.116 1 86 17 17 LYS CB C 32.216 0.000 1 87 17 17 LYS N N 118.257 0.117 1 88 18 18 CYS H H 7.899 0.010 1 89 18 18 CYS HA H 4.329 0.007 1 90 18 18 CYS HB2 H 3.031 0.016 2 91 18 18 CYS HB3 H 3.031 0.016 2 92 18 18 CYS CA C 63.218 0.091 1 93 18 18 CYS CB C 26.822 0.137 1 94 18 18 CYS N N 117.220 0.079 1 95 19 19 VAL H H 8.352 0.020 1 96 19 19 VAL HA H 3.725 0.021 1 97 19 19 VAL HB H 2.337 0.024 1 98 19 19 VAL HG1 H 1.248 0.002 . 99 19 19 VAL HG2 H 1.009 0.011 . 100 19 19 VAL CA C 67.080 0.045 1 101 19 19 VAL CB C 32.057 0.319 1 102 19 19 VAL CG1 C 23.643 0.000 2 103 19 19 VAL CG2 C 21.713 0.028 2 104 19 19 VAL N N 118.929 0.086 1 105 20 20 PHE H H 8.791 0.016 1 106 20 20 PHE HA H 4.274 0.015 1 107 20 20 PHE HB2 H 3.298 0.019 2 108 20 20 PHE HB3 H 3.298 0.019 2 109 20 20 PHE HD1 H 7.279 0.011 3 110 20 20 PHE HD2 H 7.279 0.011 3 111 20 20 PHE CA C 61.626 0.142 1 112 20 20 PHE CB C 39.080 0.000 1 113 20 20 PHE N N 120.244 0.076 1 114 21 21 ASP H H 8.705 0.027 1 115 21 21 ASP HA H 4.363 0.005 1 116 21 21 ASP HB2 H 2.819 0.009 2 117 21 21 ASP HB3 H 2.819 0.009 2 118 21 21 ASP CA C 57.517 0.098 1 119 21 21 ASP CB C 40.068 0.094 1 120 21 21 ASP N N 118.761 0.159 1 121 22 22 LYS H H 7.810 0.012 1 122 22 22 LYS HA H 4.194 0.019 1 123 22 22 LYS HB2 H 2.053 0.029 2 124 22 22 LYS HB3 H 2.053 0.029 2 125 22 22 LYS HG2 H 1.506 0.003 2 126 22 22 LYS HG3 H 1.506 0.003 2 127 22 22 LYS HE2 H 3.047 0.009 2 128 22 22 LYS HE3 H 3.047 0.009 2 129 22 22 LYS CA C 58.593 0.025 1 130 22 22 LYS CB C 32.299 0.000 1 131 22 22 LYS CG C 25.433 0.185 1 132 22 22 LYS CE C 42.268 0.010 1 133 22 22 LYS N N 118.200 0.060 1 134 23 23 ILE H H 8.351 0.006 1 135 23 23 ILE HA H 3.781 0.010 1 136 23 23 ILE HB H 1.815 0.017 1 137 23 23 ILE HG12 H 1.228 0.013 . 138 23 23 ILE HG13 H 1.228 0.013 . 139 23 23 ILE HG2 H 0.971 0.010 . 140 23 23 ILE HD1 H 0.914 0.013 . 141 23 23 ILE CA C 65.096 0.037 1 142 23 23 ILE CG1 C 23.768 0.000 1 143 23 23 ILE CG2 C 18.110 0.049 1 144 23 23 ILE CD1 C 13.498 0.108 1 145 23 23 ILE N N 118.534 0.132 1 146 24 24 CYS H H 8.203 0.009 1 147 24 24 CYS HA H 4.049 0.021 1 148 24 24 CYS HB2 H 2.872 0.017 2 149 24 24 CYS HB3 H 2.872 0.017 2 150 24 24 CYS CA C 63.499 0.133 1 151 24 24 CYS CB C 26.626 0.000 1 152 24 24 CYS N N 117.155 0.079 1 153 25 25 LYS H H 7.760 0.015 1 154 25 25 LYS HB2 H 2.033 0.000 2 155 25 25 LYS HB3 H 2.033 0.000 2 156 25 25 LYS CA C 58.762 0.026 1 157 25 25 LYS CB C 32.385 0.000 1 158 25 25 LYS N N 119.995 0.093 1 159 26 26 ILE H H 8.055 0.020 1 160 26 26 ILE HA H 3.974 0.011 1 161 26 26 ILE HB H 1.838 0.025 1 162 26 26 ILE HG12 H 1.310 0.004 . 163 26 26 ILE HG13 H 1.310 0.004 . 164 26 26 ILE HG2 H 0.973 0.004 . 165 26 26 ILE HD1 H 0.927 0.000 . 166 26 26 ILE CA C 64.106 0.052 1 167 26 26 ILE CB C 37.556 0.000 1 168 26 26 ILE CG2 C 17.914 0.245 1 169 26 26 ILE CD1 C 13.606 0.000 1 170 26 26 ILE N N 119.168 0.153 1 171 27 27 GLY H H 8.568 0.013 1 172 27 27 GLY HA2 H 3.894 0.016 2 173 27 27 GLY HA3 H 3.894 0.016 2 174 27 27 GLY CA C 46.989 0.164 1 175 27 27 GLY N N 108.257 0.073 1 176 28 28 THR H H 8.059 0.010 1 177 28 28 THR HA H 3.912 0.004 1 178 28 28 THR HB H 4.305 0.000 1 179 28 28 THR HG2 H 1.349 0.000 . 180 28 28 THR CA C 64.717 0.136 1 181 28 28 THR CB C 69.375 0.000 1 182 28 28 THR N N 112.727 0.088 1 183 29 29 GLU H H 8.113 0.001 1 184 29 29 GLU HB2 H 2.204 0.005 2 185 29 29 GLU HB3 H 2.204 0.005 2 186 29 29 GLU HG2 H 2.542 0.003 2 187 29 29 GLU HG3 H 2.542 0.003 2 188 29 29 GLU CA C 57.604 0.090 1 189 29 29 GLU CB C 29.093 0.000 1 190 29 29 GLU CG C 34.741 0.000 1 191 29 29 GLU N N 120.068 0.013 1 192 30 30 SER H H 8.060 0.008 1 193 30 30 SER HA H 4.374 0.005 1 194 30 30 SER HB2 H 4.105 0.000 2 195 30 30 SER HB3 H 4.105 0.000 2 196 30 30 SER CA C 60.353 0.122 1 197 30 30 SER N N 114.882 0.100 1 198 31 31 VAL H H 8.127 0.024 1 199 31 31 VAL HA H 4.017 0.027 1 200 31 31 VAL HB H 2.263 0.007 1 201 31 31 VAL HG2 H 1.065 0.027 . 202 31 31 VAL CA C 64.627 0.087 1 203 31 31 VAL CB C 31.985 0.018 1 204 31 31 VAL CG2 C 21.471 0.002 2 205 31 31 VAL N N 122.098 0.204 1 206 32 32 GLU H H 8.243 0.013 1 207 32 32 GLU HA H 4.318 0.001 1 208 32 32 GLU HB2 H 2.152 0.013 2 209 32 32 GLU HB3 H 2.152 0.013 2 210 32 32 GLU HG2 H 2.521 0.010 2 211 32 32 GLU HG3 H 2.521 0.010 2 212 32 32 GLU CA C 57.887 0.074 1 213 32 32 GLU CB C 28.653 0.000 1 214 32 32 GLU CG C 34.680 0.061 1 215 32 32 GLU N N 120.280 0.176 1 216 33 33 ALA H H 8.218 0.006 1 217 33 33 ALA HA H 4.189 0.015 1 218 33 33 ALA HB H 1.560 0.003 . 219 33 33 ALA CA C 54.724 0.045 1 220 33 33 ALA CB C 18.728 0.028 1 221 33 33 ALA N N 121.715 0.097 1 222 34 34 GLY H H 8.308 0.010 1 223 34 34 GLY HA2 H 3.975 0.017 2 224 34 34 GLY HA3 H 3.975 0.017 2 225 34 34 GLY CA C 47.074 0.029 1 226 34 34 GLY N N 104.656 0.034 1 227 35 35 ARG H H 7.975 0.022 1 228 35 35 ARG HA H 4.276 0.014 1 229 35 35 ARG HB2 H 1.999 0.034 2 230 35 35 ARG HB3 H 1.999 0.034 2 231 35 35 ARG HG2 H 1.745 0.003 2 232 35 35 ARG HG3 H 1.745 0.003 2 233 35 35 ARG HD2 H 3.286 0.018 2 234 35 35 ARG HD3 H 3.286 0.018 2 235 35 35 ARG HE H 7.419 0.040 1 236 35 35 ARG HH11 H 6.812 0.000 2 237 35 35 ARG CA C 58.025 0.163 1 238 35 35 ARG CB C 30.289 0.061 1 239 35 35 ARG CG C 27.554 0.273 1 240 35 35 ARG CD C 43.441 0.069 1 241 35 35 ARG N N 119.958 0.067 1 242 35 35 ARG NE N 84.953 0.120 1 243 35 35 ARG NH1 N 87.786 0.000 2 244 36 36 LEU H H 7.958 0.017 1 245 36 36 LEU HA H 4.224 0.015 1 246 36 36 LEU HB2 H 1.936 0.004 2 247 36 36 LEU HB3 H 1.692 0.021 2 248 36 36 LEU HD1 H 0.969 0.007 . 249 36 36 LEU HD2 H 0.969 0.007 . 250 36 36 LEU CA C 57.803 0.253 1 251 36 36 LEU CB C 42.193 0.118 1 252 36 36 LEU N N 118.931 0.081 1 253 37 37 ILE H H 7.904 0.010 1 254 37 37 ILE HA H 3.931 0.017 1 255 37 37 ILE HB H 2.027 0.008 1 256 37 37 ILE HG12 H 1.274 0.021 . 257 37 37 ILE HG13 H 1.274 0.021 . 258 37 37 ILE HG2 H 0.971 0.011 . 259 37 37 ILE HD1 H 0.917 0.000 . 260 37 37 ILE CA C 63.859 0.009 1 261 37 37 ILE CB C 38.039 0.073 1 262 37 37 ILE CG2 C 17.705 0.124 1 263 37 37 ILE CD1 C 13.499 0.000 1 264 37 37 ILE N N 118.087 0.180 1 265 38 38 GLU H H 8.041 0.015 1 266 38 38 GLU HA H 4.231 0.016 1 267 38 38 GLU HB2 H 2.202 0.016 2 268 38 38 GLU HB3 H 2.202 0.016 2 269 38 38 GLU HG2 H 2.479 0.007 2 270 38 38 GLU HG3 H 2.479 0.007 2 271 38 38 GLU CA C 58.445 0.189 1 272 38 38 GLU CB C 29.011 0.000 1 273 38 38 GLU CG C 34.741 0.000 1 274 38 38 GLU N N 120.989 0.048 1 275 39 39 LEU H H 8.173 0.010 1 276 39 39 LEU HA H 4.271 0.009 1 277 39 39 LEU HB2 H 1.886 0.017 2 278 39 39 LEU HB3 H 1.704 0.027 2 279 39 39 LEU HD1 H 0.964 0.006 . 280 39 39 LEU HD2 H 0.964 0.006 . 281 39 39 LEU CA C 57.411 0.288 1 282 39 39 LEU CB C 42.295 0.000 1 283 39 39 LEU N N 120.111 0.043 1 284 40 40 SER H H 8.031 0.009 1 285 40 40 SER HA H 4.312 0.016 1 286 40 40 SER HB2 H 4.025 0.021 2 287 40 40 SER HB3 H 4.025 0.021 2 288 40 40 SER CA C 60.406 0.056 1 289 40 40 SER CB C 63.646 0.181 1 290 40 40 SER N N 113.806 0.059 1 291 41 41 GLN H H 7.956 0.011 1 292 41 41 GLN HA H 4.396 0.017 1 293 41 41 GLN HB2 H 2.188 0.027 2 294 41 41 GLN HB3 H 2.188 0.027 2 295 41 41 GLN HG2 H 2.494 0.012 2 296 41 41 GLN HG3 H 2.455 0.000 2 297 41 41 GLN HE21 H 7.370 0.024 2 298 41 41 GLN HE22 H 6.803 0.023 2 299 41 41 GLN CA C 56.601 0.161 1 300 41 41 GLN CB C 29.385 0.031 1 301 41 41 GLN CG C 34.212 0.047 1 302 41 41 GLN N N 120.139 0.056 1 303 41 41 GLN NE2 N 111.168 0.122 1 304 42 42 GLU H H 8.114 0.017 1 305 42 42 GLU HA H 4.373 0.010 1 306 42 42 GLU HB2 H 2.181 0.011 2 307 42 42 GLU HB3 H 2.181 0.011 2 308 42 42 GLU HG2 H 2.509 0.015 2 309 42 42 GLU HG3 H 2.509 0.015 2 310 42 42 GLU CA C 57.089 0.076 1 311 42 42 GLU CB C 29.355 0.000 1 312 42 42 GLU CG C 34.440 0.000 1 313 42 42 GLU N N 119.728 0.060 1 314 43 43 GLY H H 8.325 0.013 1 315 43 43 GLY HA2 H 4.027 0.003 2 316 43 43 GLY HA3 H 4.027 0.003 2 317 43 43 GLY CA C 45.623 0.027 1 318 43 43 GLY N N 108.655 0.046 1 319 44 44 GLY H H 8.105 0.004 1 320 44 44 GLY HA2 H 3.953 0.005 2 321 44 44 GLY HA3 H 3.953 0.005 2 322 44 44 GLY CA C 45.487 0.000 1 323 44 44 GLY N N 107.872 0.054 1 324 48 48 GLY HA2 H 3.965 0.008 2 325 48 48 GLY HA3 H 3.965 0.008 2 326 48 48 GLY CA C 45.395 0.000 1 327 49 49 PRO HA H 4.469 0.020 1 328 49 49 PRO HB2 H 2.365 0.010 2 329 49 49 PRO HB3 H 2.113 0.010 2 330 49 49 PRO HG2 H 2.101 0.013 2 331 49 49 PRO HG3 H 2.101 0.013 2 332 49 49 PRO HD2 H 3.787 0.012 2 333 49 49 PRO HD3 H 3.787 0.012 2 334 49 49 PRO CA C 65.430 0.146 1 335 49 49 PRO CB C 32.321 0.031 1 336 49 49 PRO CG C 27.479 0.000 1 337 49 49 PRO CD C 50.049 0.204 1 338 50 50 LEU H H 8.336 0.014 1 339 50 50 LEU HA H 4.202 0.013 1 340 50 50 LEU HB2 H 1.732 0.018 2 341 50 50 LEU HB3 H 1.732 0.018 2 342 50 50 LEU HG H 1.717 0.000 1 343 50 50 LEU HD1 H 0.981 0.011 . 344 50 50 LEU HD2 H 0.981 0.011 . 345 50 50 LEU CA C 57.549 0.180 1 346 50 50 LEU CB C 41.699 0.180 1 347 50 50 LEU CG C 27.976 0.000 1 348 50 50 LEU CD1 C 24.852 0.263 2 349 50 50 LEU N N 116.864 0.048 1 350 51 51 TYR H H 7.765 0.009 1 351 51 51 TYR HA H 4.165 0.016 1 352 51 51 TYR HB2 H 3.115 0.012 2 353 51 51 TYR HB3 H 3.115 0.012 2 354 51 51 TYR HD1 H 7.071 0.007 3 355 51 51 TYR HD2 H 7.071 0.007 3 356 51 51 TYR CA C 61.034 0.162 1 357 51 51 TYR CB C 38.484 0.283 1 358 51 51 TYR N N 118.433 0.110 1 359 52 52 PHE H H 7.873 0.021 1 360 52 52 PHE HA H 4.260 0.015 1 361 52 52 PHE HB2 H 3.272 0.016 2 362 52 52 PHE HB3 H 3.272 0.016 2 363 52 52 PHE HD1 H 7.272 0.013 3 364 52 52 PHE HD2 H 7.272 0.013 3 365 52 52 PHE HE1 H 7.013 0.000 3 366 52 52 PHE HE2 H 7.013 0.000 3 367 52 52 PHE CA C 61.251 0.243 1 368 52 52 PHE CB C 39.319 0.055 1 369 52 52 PHE N N 117.945 0.105 1 370 53 53 VAL H H 7.864 0.006 1 371 53 53 VAL HA H 3.652 0.024 1 372 53 53 VAL HB H 2.284 0.019 1 373 53 53 VAL HG2 H 1.052 0.008 . 374 53 53 VAL CA C 66.298 0.228 1 375 53 53 VAL CB C 31.810 0.000 1 376 53 53 VAL CG2 C 22.074 0.000 2 377 53 53 VAL N N 117.468 0.131 1 378 54 54 VAL H H 7.958 0.010 1 379 54 54 VAL HA H 3.702 0.009 1 380 54 54 VAL HB H 2.122 0.012 1 381 54 54 VAL HG2 H 0.989 0.016 . 382 54 54 VAL CA C 66.067 0.192 1 383 54 54 VAL CB C 31.801 0.151 1 384 54 54 VAL CG2 C 21.650 0.026 2 385 54 54 VAL N N 116.929 0.109 1 386 55 55 ASN H H 7.823 0.012 1 387 55 55 ASN HA H 4.630 0.022 1 388 55 55 ASN HB2 H 2.663 0.028 2 389 55 55 ASN HB3 H 2.663 0.028 2 390 55 55 ASN HD21 H 7.045 0.009 2 391 55 55 ASN HD22 H 6.669 0.009 2 392 55 55 ASN CA C 55.460 0.005 1 393 55 55 ASN CB C 39.929 0.476 1 394 55 55 ASN N N 115.543 0.076 1 395 55 55 ASN ND2 N 112.546 0.013 1 396 56 56 VAL H H 7.664 0.014 1 397 56 56 VAL HA H 4.097 0.011 1 398 56 56 VAL HB H 2.111 0.022 1 399 56 56 VAL HG2 H 0.915 0.010 . 400 56 56 VAL CA C 64.139 0.161 1 401 56 56 VAL CB C 32.003 0.084 1 402 56 56 VAL CG2 C 21.569 0.126 2 403 56 56 VAL N N 116.125 0.057 1 404 57 57 ILE H H 7.587 0.015 1 405 57 57 ILE HA H 4.009 0.009 1 406 57 57 ILE HB H 1.638 0.017 1 407 57 57 ILE HG12 H 1.309 0.011 . 408 57 57 ILE HG13 H 1.309 0.011 . 409 57 57 ILE HG2 H 0.947 0.017 . 410 57 57 ILE HD1 H 0.907 0.000 . 411 57 57 ILE CA C 63.550 0.014 1 412 57 57 ILE CB C 37.763 0.000 1 413 57 57 ILE CD1 C 13.027 0.000 1 414 57 57 ILE N N 116.872 0.095 1 415 58 58 GLU H H 8.114 0.014 1 416 58 58 GLU HA H 4.199 0.003 1 417 58 58 GLU HB2 H 2.186 0.008 2 418 58 58 GLU HB3 H 2.186 0.008 2 419 58 58 GLU HG2 H 2.428 0.023 2 420 58 58 GLU HG3 H 2.428 0.023 2 421 58 58 GLU CA C 60.305 0.000 1 422 58 58 GLU CG C 34.345 0.285 1 423 58 58 GLU N N 118.190 0.103 1 424 59 59 PRO HA H 4.509 0.018 1 425 59 59 PRO HG2 H 2.088 0.009 2 426 59 59 PRO HG3 H 2.088 0.009 2 427 59 59 PRO HD2 H 3.901 0.006 2 428 59 59 PRO HD3 H 3.901 0.006 2 429 59 59 PRO CA C 65.562 0.034 1 430 59 59 PRO CB C 31.466 0.000 1 431 59 59 PRO CG C 27.636 0.249 1 432 60 60 CYS H H 7.913 0.010 1 433 60 60 CYS HA H 4.268 0.011 1 434 60 60 CYS HB2 H 3.197 0.006 2 435 60 60 CYS HB3 H 2.992 0.036 2 436 60 60 CYS CA C 62.113 0.056 1 437 60 60 CYS CB C 26.990 0.082 1 438 60 60 CYS N N 115.035 0.080 1 439 61 61 LYS H H 8.197 0.009 1 440 61 61 LYS HA H 4.272 0.002 1 441 61 61 LYS HB2 H 1.940 0.020 2 442 61 61 LYS HB3 H 1.940 0.020 2 443 61 61 LYS HG2 H 1.505 0.005 2 444 61 61 LYS HG3 H 1.505 0.005 2 445 61 61 LYS HE2 H 2.922 0.114 2 446 61 61 LYS HE3 H 2.922 0.114 2 447 61 61 LYS CA C 59.089 0.010 1 448 61 61 LYS CB C 32.428 0.000 1 449 61 61 LYS CG C 25.430 0.103 1 450 61 61 LYS N N 121.184 0.158 1 451 62 62 LYS H H 7.982 0.002 1 452 62 62 LYS CA C 57.844 0.073 1 453 62 62 LYS CB C 32.090 0.000 1 454 62 62 LYS N N 118.253 0.073 1 455 63 63 PHE H H 8.155 0.016 1 456 63 63 PHE HA H 4.255 0.004 1 457 63 63 PHE HB2 H 3.324 0.019 2 458 63 63 PHE HB3 H 3.324 0.019 2 459 63 63 PHE HD1 H 7.280 0.005 3 460 63 63 PHE HD2 H 7.280 0.005 3 461 63 63 PHE CA C 60.534 0.001 1 462 63 63 PHE CB C 39.150 0.086 1 463 63 63 PHE N N 118.763 0.110 1 464 64 64 SER H H 8.218 0.006 1 465 64 64 SER HA H 4.268 0.008 1 466 64 64 SER HB2 H 4.054 0.029 2 467 64 64 SER HB3 H 4.054 0.029 2 468 64 64 SER CA C 61.588 0.078 1 469 64 64 SER CB C 63.175 0.000 1 470 64 64 SER N N 114.881 0.100 1 471 65 65 GLU H H 8.067 0.013 1 472 65 65 GLU HA H 4.284 0.012 1 473 65 65 GLU HB2 H 2.227 0.029 2 474 65 65 GLU HB3 H 2.227 0.029 2 475 65 65 GLU HG2 H 2.509 0.013 2 476 65 65 GLU HG3 H 2.509 0.013 2 477 65 65 GLU CA C 58.211 0.043 1 478 65 65 GLU CB C 28.962 0.120 1 479 65 65 GLU CG C 34.535 0.103 1 480 65 65 GLU N N 120.937 0.034 1 481 66 66 LEU H H 8.003 0.012 1 482 66 66 LEU HA H 4.263 0.020 1 483 66 66 LEU HB2 H 1.880 0.007 2 484 66 66 LEU HB3 H 1.880 0.007 2 485 66 66 LEU HG H 1.854 0.012 1 486 66 66 LEU HD1 H 0.965 0.012 . 487 66 66 LEU HD2 H 0.965 0.012 . 488 66 66 LEU CA C 57.222 0.046 1 489 66 66 LEU CB C 42.325 0.000 1 490 66 66 LEU CG C 27.146 0.107 1 491 66 66 LEU CD1 C 24.361 0.185 2 492 66 66 LEU N N 118.904 0.088 1 493 67 67 THR H H 7.783 0.013 1 494 67 67 THR HA H 4.043 0.002 1 495 67 67 THR HB H 4.258 0.015 1 496 67 67 THR HG2 H 1.167 0.028 . 497 67 67 THR CA C 64.579 0.073 1 498 67 67 THR CB C 69.410 0.090 1 499 67 67 THR CG2 C 22.984 0.030 1 500 67 67 THR N N 108.190 0.090 1 501 68 68 GLY H H 7.964 0.010 1 502 68 68 GLY HA2 H 4.066 0.007 2 503 68 68 GLY HA3 H 4.066 0.007 2 504 68 68 GLY CA C 46.244 0.023 1 505 68 68 GLY N N 108.141 0.067 1 506 69 69 LEU H H 7.749 0.021 1 507 69 69 LEU HA H 4.352 0.014 1 508 69 69 LEU HB2 H 1.890 0.010 2 509 69 69 LEU HB3 H 1.613 0.015 2 510 69 69 LEU HG H 1.841 0.000 1 511 69 69 LEU HD1 H 0.979 0.009 . 512 69 69 LEU HD2 H 0.979 0.009 . 513 69 69 LEU CA C 56.486 0.246 1 514 69 69 LEU CB C 42.374 0.075 1 515 69 69 LEU CG C 27.384 0.000 1 516 69 69 LEU N N 120.124 0.048 1 517 70 70 VAL H H 7.607 0.016 1 518 70 70 VAL HA H 3.935 0.019 1 519 70 70 VAL HB H 2.064 0.012 1 520 70 70 VAL HG2 H 0.838 0.037 . 521 70 70 VAL CA C 63.630 0.223 1 522 70 70 VAL CB C 32.264 0.066 1 523 70 70 VAL CG2 C 21.275 0.146 2 524 70 70 VAL N N 115.546 0.162 1 525 71 71 PHE H H 7.618 0.011 1 526 71 71 PHE HA H 4.558 0.011 1 527 71 71 PHE HB2 H 3.120 0.022 2 528 71 71 PHE HB3 H 3.120 0.022 2 529 71 71 PHE HD1 H 7.216 0.009 3 530 71 71 PHE HD2 H 7.216 0.009 3 531 71 71 PHE CA C 58.547 0.032 1 532 71 71 PHE CB C 39.300 0.000 1 533 71 71 PHE N N 119.035 0.084 1 534 72 72 TYR H H 7.740 0.016 1 535 72 72 TYR HA H 4.579 0.013 1 536 72 72 TYR HB2 H 3.133 0.054 2 537 72 72 TYR HB3 H 2.956 0.016 2 538 72 72 TYR HD1 H 7.205 0.011 3 539 72 72 TYR HD2 H 7.205 0.011 3 540 72 72 TYR HE1 H 6.918 0.012 3 541 72 72 TYR HE2 H 6.918 0.012 3 542 72 72 TYR CA C 58.097 0.025 1 543 72 72 TYR CB C 39.244 0.135 1 544 72 72 TYR N N 118.365 0.027 1 545 73 73 LEU H H 7.713 0.011 1 546 73 73 LEU HA H 4.575 0.012 1 547 73 73 LEU HB2 H 1.822 0.006 2 548 73 73 LEU HB3 H 1.582 0.007 2 549 73 73 LEU HD1 H 0.991 0.002 . 550 73 73 LEU HD2 H 0.991 0.002 . 551 73 73 LEU CA C 53.549 0.000 1 552 73 73 LEU CB C 42.081 0.095 1 553 73 73 LEU N N 121.184 0.065 1 554 74 74 PRO HA H 4.638 0.001 1 555 74 74 PRO HB2 H 2.404 0.011 2 556 74 74 PRO HB3 H 2.115 0.025 2 557 74 74 PRO HG2 H 2.080 0.000 2 558 74 74 PRO HG3 H 2.080 0.000 2 559 74 74 PRO HD2 H 3.618 0.005 2 560 74 74 PRO HD3 H 3.618 0.005 2 561 74 74 PRO CA C 63.204 0.078 1 562 74 74 PRO CB C 31.681 0.000 1 563 74 74 PRO CG C 27.397 0.000 1 564 74 74 PRO CD C 50.295 0.112 1 565 75 75 THR H H 8.217 0.022 1 566 75 75 THR HA H 4.339 0.009 1 567 75 75 THR HB H 4.346 0.008 1 568 75 75 THR HG2 H 1.306 0.006 . 569 75 75 THR CA C 62.684 0.122 1 570 75 75 THR CG2 C 21.678 0.000 1 571 75 75 THR N N 113.231 0.095 1 572 76 76 ASP H H 8.406 0.008 1 573 76 76 ASP HA H 4.790 0.012 1 574 76 76 ASP HB2 H 2.866 0.010 2 575 76 76 ASP HB3 H 2.866 0.010 2 576 76 76 ASP CA C 54.239 0.022 1 577 76 76 ASP CB C 40.315 0.097 1 578 76 76 ASP N N 120.892 0.060 1 579 77 77 SER H H 8.238 0.018 1 580 77 77 SER HA H 4.345 0.012 1 581 77 77 SER HB2 H 3.954 0.018 2 582 77 77 SER HB3 H 3.954 0.018 2 583 77 77 SER CA C 60.528 0.271 1 584 77 77 SER CB C 63.812 0.174 1 585 77 77 SER N N 115.861 0.126 1 586 78 78 GLY H H 8.570 0.018 1 587 78 78 GLY HA2 H 4.025 0.016 2 588 78 78 GLY HA3 H 4.025 0.016 2 589 78 78 GLY CA C 46.653 0.032 1 590 78 78 GLY N N 110.440 0.055 1 591 79 79 GLU H H 8.237 0.010 1 592 79 79 GLU HA H 4.320 0.007 1 593 79 79 GLU HB2 H 2.166 0.016 2 594 79 79 GLU HB3 H 2.166 0.016 2 595 79 79 GLU HG2 H 2.450 0.014 2 596 79 79 GLU HG3 H 2.450 0.014 2 597 79 79 GLU CA C 58.018 0.223 1 598 79 79 GLU CB C 29.082 0.075 1 599 79 79 GLU CG C 34.654 0.026 1 600 79 79 GLU N N 121.242 0.167 1 601 80 80 LYS H H 8.252 0.009 1 602 80 80 LYS HA H 4.319 0.008 1 603 80 80 LYS HB2 H 1.952 0.007 2 604 80 80 LYS HB3 H 1.952 0.007 2 605 80 80 LYS HG2 H 1.600 0.014 2 606 80 80 LYS HG3 H 1.600 0.014 2 607 80 80 LYS HE2 H 3.041 0.010 2 608 80 80 LYS HE3 H 3.041 0.010 2 609 80 80 LYS CA C 57.881 0.309 1 610 80 80 LYS CB C 32.746 0.000 1 611 80 80 LYS CG C 25.264 0.011 1 612 80 80 LYS N N 119.708 0.183 1 613 81 81 MET H H 8.419 0.022 1 614 81 81 MET HA H 4.367 0.016 1 615 81 81 MET HB2 H 2.226 0.008 2 616 81 81 MET HB3 H 2.226 0.008 2 617 81 81 MET HG2 H 2.646 0.015 2 618 81 81 MET HG3 H 2.646 0.015 2 619 81 81 MET HE H 2.130 0.004 . 620 81 81 MET CA C 57.845 0.093 1 621 81 81 MET CB C 32.658 0.249 1 622 81 81 MET CG C 32.713 0.000 1 623 81 81 MET CE C 17.400 0.026 1 624 81 81 MET N N 119.849 0.174 1 625 82 82 THR H H 8.115 0.015 1 626 82 82 THR HA H 4.132 0.032 1 627 82 82 THR HB H 4.375 0.008 1 628 82 82 THR HG2 H 1.325 0.014 . 629 82 82 THR CA C 65.377 0.027 1 630 82 82 THR CB C 69.035 0.132 1 631 82 82 THR CG2 C 22.026 0.063 1 632 82 82 THR N N 114.947 0.200 1 633 83 83 GLU H H 8.336 0.011 1 634 83 83 GLU HA H 4.373 0.006 1 635 83 83 GLU HB2 H 2.228 0.014 2 636 83 83 GLU HB3 H 2.228 0.014 2 637 83 83 GLU HG2 H 2.535 0.013 2 638 83 83 GLU HG3 H 2.535 0.013 2 639 83 83 GLU CA C 58.064 0.026 1 640 83 83 GLU CB C 28.942 0.000 1 641 83 83 GLU CG C 34.741 0.000 1 642 83 83 GLU N N 121.416 0.071 1 643 84 84 SER H H 8.191 0.007 1 644 84 84 SER HA H 4.278 0.009 1 645 84 84 SER HB2 H 4.029 0.010 2 646 84 84 SER HB3 H 4.029 0.010 2 647 84 84 SER CA C 61.685 0.120 1 648 84 84 SER N N 115.783 0.074 1 649 85 85 LYS H H 8.113 0.007 1 650 85 85 LYS HA H 4.085 0.004 1 651 85 85 LYS HB2 H 1.997 0.022 2 652 85 85 LYS HB3 H 1.997 0.022 2 653 85 85 LYS HG2 H 1.700 0.104 2 654 85 85 LYS HG3 H 1.700 0.104 2 655 85 85 LYS CA C 59.788 0.017 1 656 85 85 LYS CB C 32.430 0.000 1 657 85 85 LYS CG C 25.292 0.000 1 658 85 85 LYS N N 121.318 0.079 1 659 86 86 SER H H 8.066 0.007 1 660 86 86 SER HA H 4.389 0.008 1 661 86 86 SER HB2 H 4.103 0.002 2 662 86 86 SER HB3 H 4.103 0.002 2 663 86 86 SER CA C 61.437 0.056 1 664 86 86 SER CB C 63.116 0.000 1 665 86 86 SER N N 115.042 0.076 1 666 87 87 VAL H H 8.103 0.016 1 667 87 87 VAL HA H 4.380 0.000 1 668 87 87 VAL HB H 2.272 0.013 1 669 87 87 VAL HG2 H 1.096 0.000 . 670 87 87 VAL CA C 66.123 0.065 1 671 87 87 VAL CB C 31.379 0.000 1 672 87 87 VAL CG2 C 21.954 0.000 2 673 87 87 VAL N N 122.920 0.163 1 674 88 88 LEU H H 8.146 0.009 1 675 88 88 LEU HA H 4.122 0.008 1 676 88 88 LEU HB2 H 1.893 0.004 2 677 88 88 LEU HB3 H 1.893 0.004 2 678 88 88 LEU HG H 1.854 0.002 1 679 88 88 LEU HD2 H 1.020 0.021 . 680 88 88 LEU CA C 57.906 0.244 1 681 88 88 LEU CB C 41.944 0.263 1 682 88 88 LEU CG C 27.306 0.072 1 683 88 88 LEU CD2 C 21.553 0.129 2 684 88 88 LEU N N 119.501 0.099 1 685 89 89 LYS H H 8.245 0.006 1 686 89 89 LYS HA H 4.095 0.001 1 687 89 89 LYS HB2 H 2.018 0.008 2 688 89 89 LYS HB3 H 2.018 0.008 2 689 89 89 LYS HE2 H 3.029 0.009 2 690 89 89 LYS HE3 H 3.029 0.009 2 691 89 89 LYS CA C 59.887 0.021 1 692 89 89 LYS CB C 32.226 0.000 1 693 89 89 LYS CE C 42.289 0.000 1 694 89 89 LYS N N 120.285 0.077 1 695 90 90 SER H H 8.037 0.015 1 696 90 90 SER HA H 4.362 0.006 1 697 90 90 SER CA C 61.815 0.264 1 698 90 90 SER N N 115.131 0.071 1 699 91 91 LEU H H 8.445 0.008 1 700 91 91 LEU HA H 4.148 0.009 1 701 91 91 LEU HB2 H 1.968 0.009 2 702 91 91 LEU HB3 H 1.760 0.008 2 703 91 91 LEU HD1 H 0.974 0.005 . 704 91 91 LEU HD2 H 0.974 0.005 . 705 91 91 LEU CA C 58.413 0.010 1 706 91 91 LEU CB C 42.175 0.000 1 707 91 91 LEU N N 120.855 0.069 1 708 92 92 THR H H 8.383 0.006 1 709 92 92 THR HA H 3.904 0.011 1 710 92 92 THR HB H 4.361 0.020 1 711 92 92 THR HG2 H 1.329 0.018 . 712 92 92 THR CA C 67.390 0.201 1 713 92 92 THR CB C 69.367 0.535 1 714 92 92 THR CG2 C 21.678 0.000 1 715 92 92 THR N N 112.933 0.107 1 716 93 93 GLU H H 7.971 0.015 1 717 93 93 GLU HB2 H 2.223 0.015 2 718 93 93 GLU HB3 H 2.223 0.015 2 719 93 93 GLU HG2 H 2.506 0.008 2 720 93 93 GLU HG3 H 2.506 0.008 2 721 93 93 GLU CA C 59.487 0.010 1 722 93 93 GLU CB C 29.145 0.000 1 723 93 93 GLU CG C 34.741 0.000 1 724 93 93 GLU N N 120.387 0.153 1 725 94 94 LYS H H 7.804 0.008 1 726 94 94 LYS HA H 4.166 0.008 1 727 94 94 LYS HB2 H 2.143 0.019 2 728 94 94 LYS HB3 H 2.143 0.019 2 729 94 94 LYS HG2 H 1.625 0.001 2 730 94 94 LYS HG3 H 1.625 0.001 2 731 94 94 LYS HE2 H 3.057 0.000 2 732 94 94 LYS HE3 H 3.057 0.000 2 733 94 94 LYS CA C 59.046 0.025 1 734 94 94 LYS CB C 32.347 0.000 1 735 94 94 LYS CG C 25.403 0.178 1 736 94 94 LYS CE C 42.280 0.000 1 737 94 94 LYS N N 118.470 0.087 1 738 95 95 LEU H H 8.256 0.013 1 739 95 95 LEU HA H 4.159 0.010 1 740 95 95 LEU HB2 H 1.935 0.008 2 741 95 95 LEU HB3 H 1.737 0.008 2 742 95 95 LEU HD2 H 0.965 0.006 . 743 95 95 LEU CA C 57.877 0.002 1 744 95 95 LEU CB C 41.949 0.000 1 745 95 95 LEU CD2 C 21.407 0.051 2 746 95 95 LEU N N 118.397 0.096 1 747 96 96 LYS H H 8.105 0.015 1 748 96 96 LYS HA H 3.940 0.024 1 749 96 96 LYS HB2 H 2.006 0.007 2 750 96 96 LYS HB3 H 2.006 0.007 2 751 96 96 LYS HG2 H 1.593 0.001 2 752 96 96 LYS HG3 H 1.593 0.001 2 753 96 96 LYS CA C 60.282 0.133 1 754 96 96 LYS CB C 32.349 0.039 1 755 96 96 LYS CG C 25.347 0.164 1 756 96 96 LYS N N 117.747 0.120 1 757 97 97 LYS H H 7.520 0.016 1 758 97 97 LYS HA H 4.167 0.011 1 759 97 97 LYS HB2 H 2.019 0.012 2 760 97 97 LYS HB3 H 2.019 0.012 2 761 97 97 LYS HG2 H 1.694 0.015 2 762 97 97 LYS HG3 H 1.694 0.015 2 763 97 97 LYS HE2 H 3.053 0.009 2 764 97 97 LYS HE3 H 3.053 0.009 2 765 97 97 LYS CA C 58.543 0.133 1 766 97 97 LYS CB C 32.151 0.056 1 767 97 97 LYS CG C 25.432 0.191 1 768 97 97 LYS CE C 42.130 0.060 1 769 97 97 LYS N N 116.451 0.052 1 770 98 98 ILE H H 7.782 0.014 1 771 98 98 ILE HA H 3.930 0.021 1 772 98 98 ILE HB H 2.115 0.017 1 773 98 98 ILE HG12 H 1.320 0.017 . 774 98 98 ILE HG13 H 1.320 0.017 . 775 98 98 ILE HG2 H 0.986 0.018 . 776 98 98 ILE HD1 H 0.958 0.000 . 777 98 98 ILE CA C 64.299 0.250 1 778 98 98 ILE CB C 37.749 0.000 1 779 98 98 ILE CG2 C 17.734 0.047 1 780 98 98 ILE CD1 C 13.384 0.000 1 781 98 98 ILE N N 117.587 0.154 1 782 99 99 VAL H H 7.917 0.015 1 783 99 99 VAL HA H 3.825 0.027 1 784 99 99 VAL HB H 2.292 0.014 1 785 99 99 VAL HG2 H 1.082 0.021 . 786 99 99 VAL CA C 65.963 0.089 1 787 99 99 VAL CB C 31.482 0.176 1 788 99 99 VAL CG2 C 21.954 0.000 2 789 99 99 VAL N N 116.989 0.057 1 790 100 100 GLU H H 7.702 0.010 1 791 100 100 GLU HA H 4.213 0.006 1 792 100 100 GLU HB2 H 2.266 0.005 2 793 100 100 GLU HB3 H 2.266 0.005 2 794 100 100 GLU HG2 H 2.650 0.033 2 795 100 100 GLU HG3 H 2.650 0.033 2 796 100 100 GLU CA C 57.974 0.120 1 797 100 100 GLU CB C 28.923 0.000 1 798 100 100 GLU CG C 34.825 0.127 1 799 100 100 GLU N N 116.782 0.059 1 800 101 101 LEU H H 7.751 0.014 1 801 101 101 LEU HA H 4.155 0.018 1 802 101 101 LEU HB2 H 2.028 0.007 2 803 101 101 LEU HB3 H 1.720 0.021 2 804 101 101 LEU HD1 H 0.980 0.013 . 805 101 101 LEU HD2 H 0.980 0.013 . 806 101 101 LEU CA C 55.736 0.010 1 807 101 101 LEU CB C 43.039 0.000 1 808 101 101 LEU CD1 C 24.208 0.000 2 809 101 101 LEU N N 118.218 0.070 1 810 102 102 ILE H H 7.559 0.011 1 811 102 102 ILE HA H 3.727 0.011 1 812 102 102 ILE HB H 2.091 0.015 1 813 102 102 ILE HG12 H 1.244 0.008 . 814 102 102 ILE HG13 H 1.244 0.008 . 815 102 102 ILE HG2 H 1.030 0.013 . 816 102 102 ILE HD1 H 0.981 0.000 . 817 102 102 ILE CA C 61.809 0.000 1 818 102 102 ILE CG2 C 17.551 0.027 1 819 102 102 ILE CD1 C 13.159 0.000 1 820 102 102 ILE N N 119.412 0.078 1 821 103 103 PRO HA H 4.587 0.014 1 822 103 103 PRO HB2 H 2.391 0.023 2 823 103 103 PRO HB3 H 2.083 0.012 2 824 103 103 PRO HG2 H 2.078 0.002 2 825 103 103 PRO HG3 H 2.078 0.002 2 826 103 103 PRO HD2 H 3.623 0.008 2 827 103 103 PRO HD3 H 3.623 0.008 2 828 103 103 PRO CA C 64.289 0.100 1 829 103 103 PRO CB C 31.886 0.053 1 830 103 103 PRO CG C 27.476 0.123 1 831 103 103 PRO CD C 50.316 0.109 1 832 104 104 SER H H 8.100 0.016 1 833 104 104 SER HA H 4.571 0.016 1 834 104 104 SER HB2 H 4.057 0.007 2 835 104 104 SER HB3 H 4.057 0.007 2 836 104 104 SER CA C 59.286 0.067 1 837 104 104 SER CB C 63.849 0.000 1 838 104 104 SER N N 112.794 0.173 1 839 105 105 THR H H 8.186 0.004 1 840 105 105 THR HA H 4.318 0.015 1 841 105 105 THR HB H 4.008 0.014 1 842 105 105 THR HG2 H 1.321 0.004 . 843 105 105 THR CA C 64.056 0.018 1 844 105 105 THR CB C 69.861 0.000 1 845 105 105 THR N N 114.655 0.044 1 846 106 106 SER H H 8.200 0.016 1 847 106 106 SER HA H 4.344 0.007 1 848 106 106 SER HB2 H 4.038 0.003 2 849 106 106 SER HB3 H 4.038 0.003 2 850 106 106 SER CA C 60.864 0.273 1 851 106 106 SER CB C 63.462 0.097 1 852 106 106 SER N N 116.165 0.082 1 853 107 107 SER H H 8.114 0.014 1 854 107 107 SER HA H 4.413 0.013 1 855 107 107 SER HB2 H 4.002 0.022 2 856 107 107 SER HB3 H 4.002 0.022 2 857 107 107 SER CA C 60.051 0.033 1 858 107 107 SER CB C 63.921 0.071 1 859 107 107 SER N N 116.732 0.068 1 860 108 108 ALA H H 8.022 0.009 1 861 108 108 ALA HA H 4.434 0.021 1 862 108 108 ALA HB H 1.546 0.007 . 863 108 108 ALA CA C 53.482 0.335 1 864 108 108 ALA CB C 19.331 0.281 1 865 108 108 ALA N N 122.523 0.066 1 866 109 109 VAL H H 7.829 0.008 1 867 109 109 VAL HA H 3.788 0.020 1 868 109 109 VAL HB H 2.382 0.011 1 869 109 109 VAL HG1 H 1.126 0.016 . 870 109 109 VAL HG2 H 1.126 0.016 . 871 109 109 VAL CA C 66.835 0.000 1 872 109 109 VAL CG2 C 21.954 0.000 2 873 109 109 VAL N N 117.146 0.053 1 874 110 110 PRO HA H 4.480 0.008 1 875 110 110 PRO HB2 H 2.394 0.006 2 876 110 110 PRO HB3 H 2.394 0.006 2 877 110 110 PRO HG2 H 2.098 0.004 2 878 110 110 PRO HG3 H 2.098 0.004 2 879 110 110 PRO CA C 65.445 0.059 1 880 110 110 PRO CB C 31.379 0.000 1 881 110 110 PRO CG C 27.746 0.000 1 882 111 111 LEU H H 7.538 0.014 1 883 111 111 LEU HA H 4.213 0.008 1 884 111 111 LEU HB2 H 1.969 0.036 2 885 111 111 LEU HB3 H 1.769 0.028 2 886 111 111 LEU HD1 H 1.055 0.001 . 887 111 111 LEU HD2 H 1.055 0.001 . 888 111 111 LEU CA C 57.782 0.032 1 889 111 111 LEU CB C 42.448 0.212 1 890 111 111 LEU CD1 C 25.117 0.060 2 891 111 111 LEU N N 117.393 0.161 1 892 112 112 ILE H H 8.118 0.013 1 893 112 112 ILE HA H 4.001 0.012 1 894 112 112 ILE HB H 2.132 0.008 1 895 112 112 ILE HG12 H 1.298 0.010 . 896 112 112 ILE HG13 H 1.298 0.010 . 897 112 112 ILE HG2 H 1.036 0.008 . 898 112 112 ILE HD1 H 0.985 0.000 . 899 112 112 ILE CA C 64.626 0.056 1 900 112 112 ILE CG2 C 17.787 0.205 1 901 112 112 ILE CD1 C 13.159 0.000 1 902 112 112 ILE N N 117.001 0.141 1 903 113 113 GLY H H 8.409 0.020 1 904 113 113 GLY HA2 H 3.871 0.011 2 905 113 113 GLY HA3 H 3.871 0.011 2 906 113 113 GLY CA C 47.772 0.074 1 907 113 113 GLY N N 106.840 0.048 1 908 114 114 LYS H H 7.847 0.008 1 909 114 114 LYS HA H 4.120 0.001 1 910 114 114 LYS HB2 H 1.796 0.012 2 911 114 114 LYS HB3 H 1.796 0.012 2 912 114 114 LYS HE2 H 3.051 0.000 2 913 114 114 LYS HE3 H 3.051 0.000 2 914 114 114 LYS CA C 59.138 0.002 1 915 114 114 LYS N N 120.736 0.132 1 916 115 115 TYR H H 7.891 0.011 1 917 115 115 TYR HA H 4.272 0.004 1 918 115 115 TYR HB2 H 3.246 0.021 2 919 115 115 TYR HB3 H 3.246 0.021 2 920 115 115 TYR HD1 H 7.160 0.018 3 921 115 115 TYR HD2 H 7.160 0.018 3 922 115 115 TYR HE1 H 6.788 0.002 3 923 115 115 TYR HE2 H 6.788 0.002 3 924 115 115 TYR CA C 60.430 0.000 1 925 115 115 TYR CE1 C 117.385 0.103 3 926 115 115 TYR N N 117.055 0.089 1 927 116 116 MET H H 8.170 0.003 1 928 116 116 MET HB2 H 2.083 0.000 2 929 116 116 MET HB3 H 2.083 0.000 2 930 116 116 MET HG2 H 2.701 0.000 2 931 116 116 MET HG3 H 2.701 0.000 2 932 116 116 MET HE H 2.124 0.004 . 933 116 116 MET CG C 32.732 0.000 1 934 116 116 MET CE C 17.428 0.027 1 935 117 117 LEU H H 7.781 0.009 1 936 117 117 LEU HA H 3.909 0.000 1 937 117 117 LEU HB2 H 1.804 0.000 2 938 117 117 LEU HB3 H 1.804 0.000 2 939 117 117 LEU HG H 1.744 0.042 1 940 117 117 LEU HD1 H 0.982 0.000 . 941 117 117 LEU HD2 H 0.982 0.000 . 942 117 117 LEU CA C 58.594 0.000 1 943 117 117 LEU CB C 41.336 0.000 1 944 117 117 LEU CG C 27.891 0.974 1 945 117 117 LEU N N 117.768 0.114 1 946 118 118 PHE H H 8.024 0.008 1 947 118 118 PHE HA H 4.428 0.012 1 948 118 118 PHE HB2 H 3.342 0.016 2 949 118 118 PHE HB3 H 3.342 0.016 2 950 118 118 PHE HD1 H 7.286 0.002 3 951 118 118 PHE HD2 H 7.286 0.002 3 952 118 118 PHE CA C 60.735 0.301 1 953 118 118 PHE N N 118.204 0.087 1 954 119 119 THR H H 8.171 0.008 1 955 119 119 THR HA H 3.972 0.023 1 956 119 119 THR HB H 4.539 0.013 1 957 119 119 THR HG2 H 1.309 0.008 . 958 119 119 THR CA C 67.518 0.005 1 959 119 119 THR CB C 69.194 0.000 1 960 119 119 THR CG2 C 20.450 0.000 1 961 119 119 THR N N 114.941 0.206 1 962 120 120 LYS H H 8.359 0.015 1 963 120 120 LYS HA H 3.980 0.007 1 964 120 120 LYS HB2 H 1.876 0.018 2 965 120 120 LYS HB3 H 1.876 0.018 2 966 120 120 LYS HG2 H 1.521 0.000 2 967 120 120 LYS HG3 H 1.521 0.000 2 968 120 120 LYS CA C 60.810 0.041 1 969 120 120 LYS CB C 32.515 0.000 1 970 120 120 LYS CG C 25.015 0.000 1 971 120 120 LYS N N 121.758 0.105 1 972 121 121 GLU H H 8.222 0.012 1 973 121 121 GLU HA H 4.214 0.013 1 974 121 121 GLU HB2 H 2.279 0.003 2 975 121 121 GLU HB3 H 2.182 0.002 2 976 121 121 GLU HG2 H 2.598 0.017 2 977 121 121 GLU HG3 H 2.598 0.017 2 978 121 121 GLU CA C 59.240 0.071 1 979 121 121 GLU CB C 28.383 0.000 1 980 121 121 GLU CG C 35.329 0.000 1 981 121 121 GLU N N 117.504 0.084 1 982 122 122 PHE H H 8.562 0.016 1 983 122 122 PHE HA H 4.294 0.010 1 984 122 122 PHE HB2 H 3.217 0.018 2 985 122 122 PHE HB3 H 3.217 0.018 2 986 122 122 PHE HD1 H 7.215 0.005 3 987 122 122 PHE HD2 H 7.215 0.005 3 988 122 122 PHE CA C 61.574 0.052 1 989 122 122 PHE CB C 39.359 0.000 1 990 122 122 PHE N N 121.586 0.114 1 991 123 123 VAL H H 8.784 0.019 1 992 123 123 VAL HA H 3.516 0.011 1 993 123 123 VAL HB H 2.356 0.009 1 994 123 123 VAL HG1 H 1.268 0.006 . 995 123 123 VAL HG2 H 1.032 0.012 . 996 123 123 VAL CA C 67.608 0.138 1 997 123 123 VAL CB C 31.461 0.000 1 998 123 123 VAL CG1 C 23.596 0.202 2 999 123 123 VAL CG2 C 21.867 0.087 2 1000 123 123 VAL N N 121.558 0.136 1 1001 124 124 GLU H H 8.564 0.008 1 1002 124 124 GLU HA H 4.042 0.000 1 1003 124 124 GLU HB2 H 2.361 0.042 2 1004 124 124 GLU HB3 H 2.361 0.042 2 1005 124 124 GLU HG2 H 2.712 0.013 2 1006 124 124 GLU HG3 H 2.712 0.013 2 1007 124 124 GLU CA C 60.207 0.073 1 1008 124 124 GLU CB C 28.425 0.000 1 1009 124 124 GLU CG C 34.727 0.014 1 1010 124 124 GLU N N 118.314 0.094 1 1011 125 125 SER H H 8.348 0.019 1 1012 125 125 SER HA H 4.265 0.015 1 1013 125 125 SER CA C 62.342 0.013 1 1014 125 125 SER CB C 63.162 0.000 1 1015 125 125 SER N N 114.779 0.149 1 1016 126 126 SER H H 8.144 0.004 1 1017 126 126 SER HA H 4.069 0.006 1 1018 126 126 SER HB2 H 3.649 0.008 2 1019 126 126 SER HB3 H 3.649 0.008 2 1020 126 126 SER CA C 62.846 0.338 1 1021 126 126 SER N N 118.464 0.034 1 1022 127 127 ILE H H 8.280 0.008 1 1023 127 127 ILE HA H 3.681 0.023 1 1024 127 127 ILE HB H 2.000 0.021 1 1025 127 127 ILE HG12 H 1.294 0.013 . 1026 127 127 ILE HG13 H 1.294 0.013 . 1027 127 127 ILE HG2 H 0.951 0.011 . 1028 127 127 ILE HD1 H 0.910 0.006 . 1029 127 127 ILE CA C 65.641 0.066 1 1030 127 127 ILE CB C 38.034 0.000 1 1031 127 127 ILE CG2 C 17.573 0.000 1 1032 127 127 ILE CD1 C 13.637 0.117 1 1033 127 127 ILE N N 124.705 0.092 1 1034 128 128 LYS H H 7.741 0.015 1 1035 128 128 LYS HB2 H 1.757 0.008 2 1036 128 128 LYS HB3 H 1.757 0.008 2 1037 128 128 LYS HG2 H 1.529 0.000 2 1038 128 128 LYS HG3 H 1.529 0.000 2 1039 128 128 LYS CA C 59.885 0.031 1 1040 128 128 LYS CB C 32.248 0.000 1 1041 128 128 LYS CG C 25.040 0.000 1 1042 128 128 LYS N N 119.907 0.136 1 1043 129 129 ILE H H 8.215 0.010 1 1044 129 129 ILE HA H 4.107 0.006 1 1045 129 129 ILE HB H 1.966 0.018 1 1046 129 129 ILE HG2 H 0.974 0.015 . 1047 129 129 ILE HD1 H 0.956 0.007 . 1048 129 129 ILE CA C 64.392 0.342 1 1049 129 129 ILE CB C 38.050 0.000 1 1050 129 129 ILE CG2 C 17.706 0.000 1 1051 129 129 ILE CD1 C 13.603 0.000 1 1052 129 129 ILE N N 118.807 0.090 1 1053 130 130 THR H H 7.988 0.010 1 1054 130 130 THR HA H 3.921 0.000 1 1055 130 130 THR HB H 4.313 0.013 1 1056 130 130 THR HG1 H 1.222 0.000 1 1057 130 130 THR HG2 H 1.248 0.014 . 1058 130 130 THR CA C 68.210 0.250 1 1059 130 130 THR CG2 C 21.678 0.000 1 1060 130 130 THR N N 117.328 0.107 1 1061 131 131 GLU H H 8.439 0.008 1 1062 131 131 GLU HA H 3.978 0.016 1 1063 131 131 GLU HB2 H 2.382 0.009 2 1064 131 131 GLU HB3 H 2.382 0.009 2 1065 131 131 GLU HG2 H 2.716 0.008 2 1066 131 131 GLU HG3 H 2.716 0.008 2 1067 131 131 GLU CA C 59.600 0.138 1 1068 131 131 GLU CG C 34.723 0.018 1 1069 131 131 GLU N N 118.968 0.054 1 1070 132 132 GLU H H 7.987 0.009 1 1071 132 132 GLU HA H 4.226 0.000 1 1072 132 132 GLU HB2 H 2.255 0.000 2 1073 132 132 GLU HB3 H 2.255 0.000 2 1074 132 132 GLU HG2 H 2.668 0.002 2 1075 132 132 GLU HG3 H 2.668 0.002 2 1076 132 132 GLU CA C 59.267 0.093 1 1077 132 132 GLU CB C 28.619 0.000 1 1078 132 132 GLU CG C 34.674 0.076 1 1079 132 132 GLU N N 118.712 0.023 1 1080 133 133 VAL H H 8.341 0.004 1 1081 133 133 VAL HA H 3.867 0.015 1 1082 133 133 VAL HB H 2.355 0.003 1 1083 133 133 VAL HG1 H 1.201 0.003 . 1084 133 133 VAL HG2 H 0.998 0.020 . 1085 133 133 VAL CA C 66.330 0.234 1 1086 133 133 VAL CB C 32.156 0.076 1 1087 133 133 VAL CG2 C 21.954 0.000 2 1088 133 133 VAL N N 120.060 0.095 1 1089 134 134 ILE H H 8.331 0.009 1 1090 134 134 ILE HA H 3.860 0.014 1 1091 134 134 ILE HB H 1.815 0.009 1 1092 134 134 ILE HG2 H 0.994 0.006 . 1093 134 134 ILE HD1 H 0.961 0.020 . 1094 134 134 ILE CA C 65.184 0.013 1 1095 134 134 ILE CB C 37.902 0.000 1 1096 134 134 ILE CG2 C 17.748 0.125 1 1097 134 134 ILE CD1 C 13.334 0.193 1 1098 134 134 ILE N N 119.699 0.132 1 1099 135 135 ASN H H 8.318 0.013 1 1100 135 135 ASN HA H 4.675 0.005 1 1101 135 135 ASN HB2 H 2.970 0.010 2 1102 135 135 ASN HB3 H 2.970 0.010 2 1103 135 135 ASN HD21 H 7.598 0.003 2 1104 135 135 ASN HD22 H 6.898 0.004 2 1105 135 135 ASN CA C 55.505 0.015 1 1106 135 135 ASN CB C 39.127 0.079 1 1107 135 135 ASN N N 117.396 0.089 1 1108 135 135 ASN ND2 N 111.636 0.038 1 1109 136 136 THR H H 8.006 0.009 1 1110 136 136 THR HA H 4.308 0.006 1 1111 136 136 THR HB H 4.679 0.000 1 1112 136 136 THR HG2 H 1.299 0.007 . 1113 136 136 THR CA C 63.872 0.032 1 1114 136 136 THR CB C 69.779 0.000 1 1115 136 136 THR CG2 C 21.903 0.000 1 1116 136 136 THR N N 111.419 0.047 1 1117 137 137 HIS H H 8.013 0.013 1 1118 137 137 HIS HA H 4.703 0.016 1 1119 137 137 HIS HB2 H 3.457 0.033 2 1120 137 137 HIS HB3 H 3.208 0.017 2 1121 137 137 HIS CA C 56.460 0.014 1 1122 137 137 HIS CB C 28.712 0.341 1 1123 137 137 HIS N N 118.612 0.150 1 1124 138 138 HIS H H 8.169 0.017 1 1125 138 138 HIS HA H 4.826 0.011 1 1126 138 138 HIS HB2 H 3.398 0.026 2 1127 138 138 HIS HB3 H 3.278 0.010 2 1128 138 138 HIS HD2 H 7.311 0.002 1 1129 138 138 HIS CA C 55.514 0.145 1 1130 138 138 HIS CB C 29.246 0.085 1 1131 138 138 HIS N N 118.709 0.024 1 1132 139 139 ARG H H 8.419 0.013 1 1133 139 139 ARG HA H 4.566 0.020 1 1134 139 139 ARG HB2 H 1.860 0.018 2 1135 139 139 ARG HB3 H 1.860 0.018 2 1136 139 139 ARG HG2 H 1.938 0.000 2 1137 139 139 ARG HG3 H 1.938 0.000 2 1138 139 139 ARG HD2 H 3.283 0.010 2 1139 139 139 ARG HD3 H 3.283 0.010 2 1140 139 139 ARG CA C 56.394 0.082 1 1141 139 139 ARG CB C 31.021 0.030 1 1142 139 139 ARG CG C 26.951 0.000 1 1143 139 139 ARG CD C 43.423 0.073 1 1144 139 139 ARG N N 123.025 0.070 1 1145 140 140 SER H H 8.017 0.011 1 1146 140 140 SER HA H 4.445 0.020 1 1147 140 140 SER HB2 H 3.976 0.033 2 1148 140 140 SER HB3 H 3.976 0.033 2 1149 140 140 SER CA C 60.821 0.000 1 1150 140 140 SER N N 122.549 0.046 1 stop_ save_