data_36264 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the intermembrane space domain of the mitochondrial import protein Tim21 from S. cerevisiae ; _BMRB_accession_number 36264 _BMRB_flat_file_name bmr36264.str _Entry_type original _Submission_date 2019-06-13 _Accession_date 2019-06-13 _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 Bala S. . . 2 Shinya S. . . 3 Srivastava A. . . 4 Shimada A. . . 5 Kobayashi N. . . 6 Kojima C. . . 7 Tama F. . . 8 Miyashita O. . . 9 Kohda D. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 678 "13C chemical shifts" 494 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-15 original BMRB . stop_ _Original_release_date 2019-06-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Crystal contact-free conformation of an intrinsically flexible loop in protein crystal: Tim21 as the case study. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31449839 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bala S. . . 2 Shinya S. . . 3 Srivastava A. . . 4 Ishikawa M. . . 5 Shimada A. . . 6 Kobayashi N. . . 7 Kojima C. . . 8 Tama F. . . 9 Miyashita O. . . 10 Kohda D. . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta Gen. Subj.' _Journal_volume 1864 _Journal_issue 2 _Journal_ISSN 1872-8006 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 129418 _Page_last 129418 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mitochondrial import inner membrane translocase subunit TIM21' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13571.599 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSDTQLFNRAVSMVEKNKDI RSLLQCDDGITGKERLKAYG ELITNDKWTRNRPIVSTKKL DKEGRTHHYMRFHVESKKKI ALVHLEAKESKQNYQPDFIN MYVDVPGEKRYYLIK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 ASP 4 4 THR 5 5 GLN 6 6 LEU 7 7 PHE 8 8 ASN 9 9 ARG 10 10 ALA 11 11 VAL 12 12 SER 13 13 MET 14 14 VAL 15 15 GLU 16 16 LYS 17 17 ASN 18 18 LYS 19 19 ASP 20 20 ILE 21 21 ARG 22 22 SER 23 23 LEU 24 24 LEU 25 25 GLN 26 26 CYS 27 27 ASP 28 28 ASP 29 29 GLY 30 30 ILE 31 31 THR 32 32 GLY 33 33 LYS 34 34 GLU 35 35 ARG 36 36 LEU 37 37 LYS 38 38 ALA 39 39 TYR 40 40 GLY 41 41 GLU 42 42 LEU 43 43 ILE 44 44 THR 45 45 ASN 46 46 ASP 47 47 LYS 48 48 TRP 49 49 THR 50 50 ARG 51 51 ASN 52 52 ARG 53 53 PRO 54 54 ILE 55 55 VAL 56 56 SER 57 57 THR 58 58 LYS 59 59 LYS 60 60 LEU 61 61 ASP 62 62 LYS 63 63 GLU 64 64 GLY 65 65 ARG 66 66 THR 67 67 HIS 68 68 HIS 69 69 TYR 70 70 MET 71 71 ARG 72 72 PHE 73 73 HIS 74 74 VAL 75 75 GLU 76 76 SER 77 77 LYS 78 78 LYS 79 79 LYS 80 80 ILE 81 81 ALA 82 82 LEU 83 83 VAL 84 84 HIS 85 85 LEU 86 86 GLU 87 87 ALA 88 88 LYS 89 89 GLU 90 90 SER 91 91 LYS 92 92 GLN 93 93 ASN 94 94 TYR 95 95 GLN 96 96 PRO 97 97 ASP 98 98 PHE 99 99 ILE 100 100 ASN 101 101 MET 102 102 TYR 103 103 VAL 104 104 ASP 105 105 VAL 106 106 PRO 107 107 GLY 108 108 GLU 109 109 LYS 110 110 ARG 111 111 TYR 112 112 TYR 113 113 LEU 114 114 ILE 115 115 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 "Baker's yeast" 559292 Eukaryota Fungi Saccharomyces 'Saccharomyces cerevisiae' 'TIM21, YGR033C' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . vector pET28b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '323 uM [U-13C; U-15N] Tim21, 20 mM TRIS, 50 mM sodium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 323 uM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name MagRO-NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi, Osaka University' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D 1H-13C NOESY aliphatic' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.530 0.030 1 2 2 2 SER HB2 H 3.899 0.030 2 3 2 2 SER HB3 H 4.001 0.030 2 4 2 2 SER HG H 2.148 0.030 1 5 2 2 SER CA C 59.174 0.300 1 6 2 2 SER CB C 63.774 0.300 1 7 3 3 ASP HA H 4.513 0.030 1 8 3 3 ASP HB2 H 2.711 0.030 1 9 3 3 ASP HB3 H 2.711 0.030 1 10 3 3 ASP C C 177.819 0.300 1 11 3 3 ASP CA C 56.918 0.300 1 12 3 3 ASP CB C 40.185 0.300 1 13 4 4 THR H H 8.109 0.030 1 14 4 4 THR HA H 3.976 0.030 1 15 4 4 THR HB H 4.181 0.030 1 16 4 4 THR HG2 H 1.301 0.030 1 17 4 4 THR C C 175.882 0.300 1 18 4 4 THR CA C 66.169 0.300 1 19 4 4 THR CB C 68.769 0.300 1 20 4 4 THR CG2 C 22.238 0.300 1 21 4 4 THR N N 116.099 0.300 1 22 5 5 GLN H H 7.880 0.030 1 23 5 5 GLN HA H 4.144 0.030 1 24 5 5 GLN HB2 H 2.148 0.030 1 25 5 5 GLN HB3 H 2.148 0.030 1 26 5 5 GLN HG2 H 2.433 0.030 2 27 5 5 GLN HG3 H 2.474 0.030 2 28 5 5 GLN HE21 H 7.538 0.030 1 29 5 5 GLN HE22 H 7.538 0.030 1 30 5 5 GLN C C 178.466 0.300 1 31 5 5 GLN CA C 59.091 0.300 1 32 5 5 GLN CB C 28.500 0.300 1 33 5 5 GLN CG C 34.301 0.300 1 34 5 5 GLN N N 120.348 0.300 1 35 5 5 GLN NE2 N 112.116 0.300 1 36 6 6 LEU H H 7.759 0.030 1 37 6 6 LEU HA H 4.025 0.030 1 38 6 6 LEU HB2 H 1.666 0.030 1 39 6 6 LEU HB3 H 1.666 0.030 1 40 6 6 LEU HD1 H 0.525 0.030 1 41 6 6 LEU HD2 H 0.580 0.030 1 42 6 6 LEU C C 177.913 0.300 1 43 6 6 LEU CA C 58.561 0.300 1 44 6 6 LEU CB C 42.197 0.300 1 45 6 6 LEU CD1 C 24.711 0.300 1 46 6 6 LEU CD2 C 24.711 0.300 1 47 6 6 LEU N N 121.056 0.300 1 48 7 7 PHE H H 7.967 0.030 1 49 7 7 PHE HA H 3.923 0.030 1 50 7 7 PHE HB2 H 2.981 0.030 1 51 7 7 PHE HB3 H 2.981 0.030 1 52 7 7 PHE HD1 H 6.630 0.030 1 53 7 7 PHE HD2 H 6.630 0.030 1 54 7 7 PHE HE1 H 6.754 0.030 1 55 7 7 PHE HE2 H 6.754 0.030 1 56 7 7 PHE HZ H 6.588 0.030 1 57 7 7 PHE C C 175.999 0.300 1 58 7 7 PHE CA C 60.704 0.300 1 59 7 7 PHE CB C 39.104 0.300 1 60 7 7 PHE CD1 C 131.893 0.300 1 61 7 7 PHE CD2 C 131.893 0.300 1 62 7 7 PHE CE1 C 129.050 0.300 1 63 7 7 PHE CE2 C 129.050 0.300 1 64 7 7 PHE CZ C 130.846 0.300 1 65 7 7 PHE N N 118.145 0.300 1 66 8 8 ASN H H 8.578 0.030 1 67 8 8 ASN HA H 3.962 0.030 1 68 8 8 ASN HB2 H 2.730 0.030 2 69 8 8 ASN HB3 H 2.840 0.030 2 70 8 8 ASN HD21 H 6.860 0.030 2 71 8 8 ASN HD22 H 7.464 0.030 2 72 8 8 ASN CA C 56.011 0.300 1 73 8 8 ASN CB C 37.714 0.300 1 74 8 8 ASN N N 117.071 0.300 1 75 8 8 ASN ND2 N 110.427 0.300 1 76 9 9 ARG H H 8.065 0.030 1 77 9 9 ARG HA H 4.023 0.030 1 78 9 9 ARG HB2 H 2.077 0.030 1 79 9 9 ARG HB3 H 2.077 0.030 1 80 9 9 ARG HG2 H 1.662 0.030 2 81 9 9 ARG HG3 H 1.976 0.030 2 82 9 9 ARG HD2 H 3.033 0.030 2 83 9 9 ARG HD3 H 3.212 0.030 2 84 9 9 ARG HE H 7.226 0.030 1 85 9 9 ARG C C 178.843 0.300 1 86 9 9 ARG CA C 59.055 0.300 1 87 9 9 ARG CB C 31.632 0.300 1 88 9 9 ARG CG C 27.127 0.300 1 89 9 9 ARG CD C 44.723 0.300 1 90 9 9 ARG N N 119.963 0.300 1 91 10 10 ALA H H 8.263 0.030 1 92 10 10 ALA HA H 4.005 0.030 1 93 10 10 ALA HB H 1.514 0.030 1 94 10 10 ALA C C 179.051 0.300 1 95 10 10 ALA CA C 55.416 0.300 1 96 10 10 ALA CB C 19.724 0.300 1 97 10 10 ALA N N 123.000 0.300 1 98 11 11 VAL H H 8.689 0.030 1 99 11 11 VAL HA H 3.259 0.030 1 100 11 11 VAL HB H 1.437 0.030 1 101 11 11 VAL HG1 H 0.563 0.030 2 102 11 11 VAL HG2 H 0.097 0.030 2 103 11 11 VAL C C 177.532 0.300 1 104 11 11 VAL CA C 67.136 0.300 1 105 11 11 VAL CB C 31.277 0.300 1 106 11 11 VAL CG1 C 20.712 0.300 2 107 11 11 VAL CG2 C 23.880 0.300 2 108 11 11 VAL N N 118.540 0.300 1 109 12 12 SER H H 7.355 0.030 1 110 12 12 SER HA H 4.239 0.030 1 111 12 12 SER HB2 H 3.929 0.030 1 112 12 12 SER HB3 H 3.929 0.030 1 113 12 12 SER C C 176.214 0.300 1 114 12 12 SER CA C 61.420 0.300 1 115 12 12 SER CB C 63.177 0.300 1 116 12 12 SER N N 113.108 0.300 1 117 13 13 MET H H 7.352 0.030 1 118 13 13 MET HA H 3.979 0.030 1 119 13 13 MET HB2 H 2.075 0.030 2 120 13 13 MET HB3 H 2.206 0.030 2 121 13 13 MET HG2 H 2.512 0.030 2 122 13 13 MET HG3 H 2.701 0.030 2 123 13 13 MET C C 178.488 0.300 1 124 13 13 MET CA C 59.087 0.300 1 125 13 13 MET CB C 33.822 0.300 1 126 13 13 MET CG C 31.928 0.300 1 127 13 13 MET N N 117.659 0.300 1 128 14 14 VAL H H 7.788 0.030 1 129 14 14 VAL HA H 3.458 0.030 1 130 14 14 VAL HB H 2.189 0.030 1 131 14 14 VAL HG1 H 0.794 0.030 2 132 14 14 VAL HG2 H 0.961 0.030 2 133 14 14 VAL C C 176.676 0.300 1 134 14 14 VAL CA C 66.615 0.300 1 135 14 14 VAL CB C 31.925 0.300 1 136 14 14 VAL CG1 C 21.682 0.300 2 137 14 14 VAL CG2 C 23.461 0.300 2 138 14 14 VAL N N 117.915 0.300 1 139 15 15 GLU H H 8.439 0.030 1 140 15 15 GLU HA H 3.723 0.030 1 141 15 15 GLU HB2 H 1.858 0.030 2 142 15 15 GLU HB3 H 2.127 0.030 2 143 15 15 GLU HG2 H 2.303 0.030 1 144 15 15 GLU HG3 H 2.303 0.030 1 145 15 15 GLU C C 177.613 0.300 1 146 15 15 GLU CA C 58.594 0.300 1 147 15 15 GLU CB C 30.005 0.300 1 148 15 15 GLU CG C 36.316 0.300 1 149 15 15 GLU N N 113.391 0.300 1 150 16 16 LYS H H 7.143 0.030 1 151 16 16 LYS HA H 4.322 0.030 1 152 16 16 LYS HB2 H 1.842 0.030 1 153 16 16 LYS HB3 H 1.842 0.030 1 154 16 16 LYS HG2 H 1.629 0.030 1 155 16 16 LYS HG3 H 1.629 0.030 1 156 16 16 LYS C C 176.145 0.300 1 157 16 16 LYS CA C 56.317 0.300 1 158 16 16 LYS CB C 33.125 0.300 1 159 16 16 LYS CG C 25.228 0.300 1 160 16 16 LYS CE C 42.171 0.300 1 161 16 16 LYS N N 114.207 0.300 1 162 17 17 ASN H H 7.313 0.030 1 163 17 17 ASN HA H 4.657 0.030 1 164 17 17 ASN HB2 H 2.794 0.030 1 165 17 17 ASN HB3 H 2.794 0.030 1 166 17 17 ASN HD21 H 7.381 0.030 2 167 17 17 ASN HD22 H 7.901 0.030 2 168 17 17 ASN C C 174.652 0.300 1 169 17 17 ASN CA C 54.291 0.300 1 170 17 17 ASN CB C 39.770 0.300 1 171 17 17 ASN N N 121.128 0.300 1 172 17 17 ASN ND2 N 113.868 0.300 1 173 18 18 LYS H H 8.911 0.030 1 174 18 18 LYS HA H 3.789 0.030 1 175 18 18 LYS HB2 H 1.887 0.030 1 176 18 18 LYS HB3 H 1.887 0.030 1 177 18 18 LYS HG2 H 1.455 0.030 2 178 18 18 LYS HG3 H 1.525 0.030 2 179 18 18 LYS HD2 H 1.733 0.030 1 180 18 18 LYS HD3 H 1.733 0.030 1 181 18 18 LYS HE2 H 3.043 0.030 1 182 18 18 LYS HE3 H 3.043 0.030 1 183 18 18 LYS C C 178.476 0.300 1 184 18 18 LYS CA C 59.876 0.300 1 185 18 18 LYS CB C 32.428 0.300 1 186 18 18 LYS CG C 24.791 0.300 1 187 18 18 LYS CD C 29.215 0.300 1 188 18 18 LYS CE C 42.119 0.300 1 189 18 18 LYS N N 128.198 0.300 1 190 19 19 ASP H H 7.817 0.030 1 191 19 19 ASP HA H 4.401 0.030 1 192 19 19 ASP HB2 H 2.409 0.030 2 193 19 19 ASP HB3 H 2.899 0.030 2 194 19 19 ASP C C 179.341 0.300 1 195 19 19 ASP CA C 57.277 0.300 1 196 19 19 ASP CB C 39.783 0.300 1 197 19 19 ASP N N 120.424 0.300 1 198 20 20 ILE H H 8.495 0.030 1 199 20 20 ILE HA H 3.327 0.030 1 200 20 20 ILE HB H 2.097 0.030 1 201 20 20 ILE HG12 H 0.675 0.030 2 202 20 20 ILE HG13 H 1.076 0.030 2 203 20 20 ILE HG2 H 0.651 0.030 1 204 20 20 ILE HD1 H 0.645 0.030 1 205 20 20 ILE C C 177.816 0.300 1 206 20 20 ILE CA C 63.646 0.300 1 207 20 20 ILE CB C 35.669 0.300 1 208 20 20 ILE CG1 C 28.515 0.300 1 209 20 20 ILE CG2 C 17.926 0.300 1 210 20 20 ILE CD1 C 12.810 0.300 1 211 20 20 ILE N N 122.109 0.300 1 212 21 21 ARG H H 8.289 0.030 1 213 21 21 ARG HA H 3.899 0.030 1 214 21 21 ARG HB2 H 1.945 0.030 1 215 21 21 ARG HB3 H 1.945 0.030 1 216 21 21 ARG HD2 H 3.871 0.030 1 217 21 21 ARG HD3 H 3.871 0.030 1 218 21 21 ARG C C 178.652 0.300 1 219 21 21 ARG CA C 60.967 0.300 1 220 21 21 ARG CB C 30.406 0.300 1 221 21 21 ARG N N 118.304 0.300 1 222 22 22 SER H H 7.604 0.030 1 223 22 22 SER HA H 4.468 0.030 1 224 22 22 SER HB2 H 4.058 0.030 1 225 22 22 SER HB3 H 4.058 0.030 1 226 22 22 SER HG H 7.789 0.030 1 227 22 22 SER C C 179.177 0.300 1 228 22 22 SER CA C 61.559 0.300 1 229 22 22 SER CB C 62.709 0.300 1 230 22 22 SER N N 112.705 0.300 1 231 23 23 LEU H H 8.124 0.030 1 232 23 23 LEU HA H 4.097 0.030 1 233 23 23 LEU HB2 H 1.301 0.030 2 234 23 23 LEU HB3 H 1.950 0.030 2 235 23 23 LEU HG H 1.807 0.030 1 236 23 23 LEU HD1 H 0.860 0.030 2 237 23 23 LEU HD2 H 0.796 0.030 2 238 23 23 LEU C C 178.873 0.300 1 239 23 23 LEU CA C 58.042 0.300 1 240 23 23 LEU CB C 42.845 0.300 1 241 23 23 LEU CG C 26.472 0.300 1 242 23 23 LEU CD1 C 22.841 0.300 2 243 23 23 LEU CD2 C 24.894 0.300 2 244 23 23 LEU N N 125.393 0.300 1 245 24 24 LEU H H 8.083 0.030 1 246 24 24 LEU HA H 3.964 0.030 1 247 24 24 LEU HB2 H 1.909 0.030 2 248 24 24 LEU HB3 H 1.473 0.030 2 249 24 24 LEU HG H 0.571 0.030 1 250 24 24 LEU HD1 H 0.683 0.030 1 251 24 24 LEU C C 174.929 0.300 1 252 24 24 LEU CA C 54.693 0.300 1 253 24 24 LEU CB C 43.087 0.300 1 254 24 24 LEU CG C 27.014 0.300 1 255 24 24 LEU CD1 C 23.773 0.300 1 256 24 24 LEU CD2 C 23.773 0.300 1 257 24 24 LEU N N 114.860 0.300 1 258 25 25 GLN H H 8.058 0.030 1 259 25 25 GLN HA H 3.953 0.030 1 260 25 25 GLN HB2 H 2.070 0.030 1 261 25 25 GLN HB3 H 2.070 0.030 1 262 25 25 GLN HG2 H 2.217 0.030 2 263 25 25 GLN HG3 H 2.371 0.030 2 264 25 25 GLN HE21 H 6.742 0.030 2 265 25 25 GLN HE22 H 7.902 0.030 2 266 25 25 GLN C C 176.888 0.300 1 267 25 25 GLN CA C 56.023 0.300 1 268 25 25 GLN CB C 25.733 0.300 1 269 25 25 GLN CG C 33.818 0.300 1 270 25 25 GLN N N 116.492 0.300 1 271 25 25 GLN NE2 N 111.384 0.300 1 272 26 26 CYS H H 7.917 0.030 1 273 26 26 CYS HA H 4.225 0.030 1 274 26 26 CYS HB2 H 2.658 0.030 1 275 26 26 CYS HB3 H 2.658 0.030 1 276 26 26 CYS C C 175.268 0.300 1 277 26 26 CYS CA C 62.088 0.300 1 278 26 26 CYS CB C 28.229 0.300 1 279 26 26 CYS N N 116.430 0.300 1 280 27 27 ASP H H 9.980 0.030 1 281 27 27 ASP HA H 4.711 0.030 1 282 27 27 ASP HB2 H 2.649 0.030 2 283 27 27 ASP HB3 H 2.876 0.030 2 284 27 27 ASP C C 173.763 0.300 1 285 27 27 ASP CA C 52.808 0.300 1 286 27 27 ASP CB C 39.584 0.300 1 287 27 27 ASP N N 125.292 0.300 1 288 28 28 ASP H H 7.599 0.030 1 289 28 28 ASP HA H 5.224 0.030 1 290 28 28 ASP HB2 H 2.557 0.030 1 291 28 28 ASP HB3 H 2.557 0.030 1 292 28 28 ASP C C 176.278 0.300 1 293 28 28 ASP CA C 52.718 0.300 1 294 28 28 ASP CB C 41.982 0.300 1 295 28 28 ASP N N 124.658 0.300 1 296 29 29 GLY H H 8.003 0.030 1 297 29 29 GLY HA2 H 4.055 0.030 2 298 29 29 GLY HA3 H 4.352 0.030 2 299 29 29 GLY C C 175.137 0.300 1 300 29 29 GLY CA C 45.335 0.300 1 301 29 29 GLY N N 110.018 0.300 1 302 30 30 ILE H H 8.654 0.030 1 303 30 30 ILE HA H 4.080 0.030 1 304 30 30 ILE HB H 1.967 0.030 1 305 30 30 ILE HG12 H 1.327 0.030 2 306 30 30 ILE HG13 H 1.533 0.030 2 307 30 30 ILE HG2 H 1.015 0.030 1 308 30 30 ILE HD1 H 0.944 0.030 1 309 30 30 ILE C C 177.635 0.300 1 310 30 30 ILE CA C 63.710 0.300 1 311 30 30 ILE CB C 38.388 0.300 1 312 30 30 ILE CG1 C 27.860 0.300 1 313 30 30 ILE CG2 C 17.677 0.300 1 314 30 30 ILE CD1 C 13.447 0.300 1 315 30 30 ILE N N 121.214 0.300 1 316 31 31 THR H H 8.056 0.030 1 317 31 31 THR HA H 4.394 0.030 1 318 31 31 THR HB H 4.466 0.030 1 319 31 31 THR HG2 H 1.235 0.030 1 320 31 31 THR C C 174.628 0.300 1 321 31 31 THR CA C 61.995 0.300 1 322 31 31 THR CB C 68.994 0.300 1 323 31 31 THR CG2 C 22.006 0.300 1 324 31 31 THR N N 109.900 0.300 1 325 32 32 GLY H H 7.639 0.030 1 326 32 32 GLY HA2 H 3.867 0.030 2 327 32 32 GLY HA3 H 4.379 0.030 2 328 32 32 GLY C C 172.670 0.300 1 329 32 32 GLY CA C 44.764 0.300 1 330 32 32 GLY N N 110.032 0.300 1 331 33 33 LYS H H 8.301 0.030 1 332 33 33 LYS HA H 4.550 0.030 1 333 33 33 LYS HB2 H 1.637 0.030 1 334 33 33 LYS HB3 H 1.637 0.030 1 335 33 33 LYS HG2 H 1.260 0.030 2 336 33 33 LYS HG3 H 1.494 0.030 2 337 33 33 LYS HD2 H 1.558 0.030 1 338 33 33 LYS HD3 H 1.558 0.030 1 339 33 33 LYS HE2 H 2.949 0.030 1 340 33 33 LYS HE3 H 2.949 0.030 1 341 33 33 LYS C C 176.963 0.300 1 342 33 33 LYS CA C 55.073 0.300 1 343 33 33 LYS CB C 33.660 0.300 1 344 33 33 LYS CG C 25.309 0.300 1 345 33 33 LYS CD C 29.222 0.300 1 346 33 33 LYS N N 119.996 0.300 1 347 34 34 GLU H H 8.259 0.030 1 348 34 34 GLU HA H 4.015 0.030 1 349 34 34 GLU HB2 H 1.481 0.030 2 350 34 34 GLU HB3 H 2.225 0.030 2 351 34 34 GLU HG2 H 2.083 0.030 2 352 34 34 GLU HG3 H 2.441 0.030 2 353 34 34 GLU C C 176.535 0.300 1 354 34 34 GLU CA C 57.358 0.300 1 355 34 34 GLU CB C 30.032 0.300 1 356 34 34 GLU CG C 35.567 0.300 1 357 34 34 GLU N N 125.735 0.300 1 358 35 35 ARG H H 8.970 0.030 1 359 35 35 ARG HA H 4.376 0.030 1 360 35 35 ARG HB2 H 1.874 0.030 1 361 35 35 ARG HB3 H 1.874 0.030 1 362 35 35 ARG HG2 H 1.667 0.030 2 363 35 35 ARG HG3 H 1.781 0.030 2 364 35 35 ARG HD2 H 3.269 0.030 1 365 35 35 ARG HD3 H 3.269 0.030 1 366 35 35 ARG C C 175.826 0.300 1 367 35 35 ARG CA C 55.795 0.300 1 368 35 35 ARG CB C 29.758 0.300 1 369 35 35 ARG CG C 27.059 0.300 1 370 35 35 ARG CD C 43.305 0.300 1 371 35 35 ARG N N 128.828 0.300 1 372 36 36 LEU H H 8.713 0.030 1 373 36 36 LEU HA H 4.566 0.030 1 374 36 36 LEU HB2 H 1.220 0.030 2 375 36 36 LEU HB3 H 1.698 0.030 2 376 36 36 LEU HG H 1.786 0.030 1 377 36 36 LEU HD1 H 0.705 0.030 2 378 36 36 LEU HD2 H 0.687 0.030 2 379 36 36 LEU C C 176.993 0.300 1 380 36 36 LEU CA C 54.531 0.300 1 381 36 36 LEU CB C 42.678 0.300 1 382 36 36 LEU CG C 26.753 0.300 1 383 36 36 LEU CD1 C 23.863 0.300 2 384 36 36 LEU CD2 C 25.246 0.300 2 385 36 36 LEU N N 127.792 0.300 1 386 37 37 LYS H H 8.360 0.030 1 387 37 37 LYS HA H 4.739 0.030 1 388 37 37 LYS HB2 H 2.009 0.030 1 389 37 37 LYS HB3 H 2.009 0.030 1 390 37 37 LYS C C 174.716 0.300 1 391 37 37 LYS CA C 55.544 0.300 1 392 37 37 LYS CB C 35.352 0.300 1 393 37 37 LYS CD C 27.171 0.300 1 394 37 37 LYS N N 121.159 0.300 1 395 38 38 ALA H H 8.562 0.030 1 396 38 38 ALA HA H 5.676 0.030 1 397 38 38 ALA HB H 1.442 0.030 1 398 38 38 ALA C C 176.832 0.300 1 399 38 38 ALA CA C 51.093 0.300 1 400 38 38 ALA CB C 22.977 0.300 1 401 38 38 ALA N N 124.059 0.300 1 402 39 39 TYR H H 8.280 0.030 1 403 39 39 TYR HA H 4.871 0.030 1 404 39 39 TYR HB2 H 3.132 0.030 2 405 39 39 TYR HB3 H 3.466 0.030 2 406 39 39 TYR HD1 H 7.059 0.030 1 407 39 39 TYR HD2 H 7.059 0.030 1 408 39 39 TYR HE1 H 6.625 0.030 1 409 39 39 TYR HE2 H 6.625 0.030 1 410 39 39 TYR C C 174.463 0.300 1 411 39 39 TYR CA C 56.342 0.300 1 412 39 39 TYR CB C 38.910 0.300 1 413 39 39 TYR CD1 C 133.980 0.300 1 414 39 39 TYR CD2 C 133.980 0.300 1 415 39 39 TYR CE1 C 117.526 0.300 1 416 39 39 TYR CE2 C 117.526 0.300 1 417 39 39 TYR N N 116.977 0.300 1 418 40 40 GLY H H 8.793 0.030 1 419 40 40 GLY HA2 H 3.938 0.030 2 420 40 40 GLY HA3 H 4.296 0.030 2 421 40 40 GLY C C 173.181 0.300 1 422 40 40 GLY CA C 45.566 0.300 1 423 40 40 GLY N N 107.172 0.300 1 424 41 41 GLU H H 8.442 0.030 1 425 41 41 GLU HA H 4.428 0.030 1 426 41 41 GLU HB2 H 1.869 0.030 2 427 41 41 GLU HB3 H 2.061 0.030 2 428 41 41 GLU HG2 H 2.223 0.030 1 429 41 41 GLU HG3 H 2.223 0.030 1 430 41 41 GLU C C 176.119 0.300 1 431 41 41 GLU CA C 56.653 0.300 1 432 41 41 GLU CB C 31.460 0.300 1 433 41 41 GLU CG C 36.668 0.300 1 434 41 41 GLU N N 119.550 0.300 1 435 42 42 LEU H H 8.901 0.030 1 436 42 42 LEU HA H 4.444 0.030 1 437 42 42 LEU HB2 H 1.591 0.030 1 438 42 42 LEU HB3 H 1.591 0.030 1 439 42 42 LEU HG H 0.823 0.030 1 440 42 42 LEU HD1 H 0.817 0.030 2 441 42 42 LEU HD2 H 0.826 0.030 2 442 42 42 LEU C C 177.047 0.300 1 443 42 42 LEU CA C 55.413 0.300 1 444 42 42 LEU CB C 42.528 0.300 1 445 42 42 LEU CG C 24.426 0.300 1 446 42 42 LEU CD1 C 24.326 0.300 2 447 42 42 LEU CD2 C 24.484 0.300 2 448 42 42 LEU N N 124.003 0.300 1 449 43 43 ILE H H 8.430 0.030 1 450 43 43 ILE HA H 4.352 0.030 1 451 43 43 ILE HB H 1.880 0.030 1 452 43 43 ILE HG12 H 1.154 0.030 2 453 43 43 ILE HG13 H 1.473 0.030 2 454 43 43 ILE HG2 H 0.914 0.030 1 455 43 43 ILE HD1 H 0.842 0.030 1 456 43 43 ILE C C 176.260 0.300 1 457 43 43 ILE CA C 60.877 0.300 1 458 43 43 ILE CB C 39.010 0.300 1 459 43 43 ILE CG1 C 27.265 0.300 1 460 43 43 ILE CG2 C 17.718 0.300 1 461 43 43 ILE CD1 C 13.026 0.300 1 462 43 43 ILE N N 123.296 0.300 1 463 44 44 THR H H 8.235 0.030 1 464 44 44 THR HA H 4.432 0.030 1 465 44 44 THR HB H 4.225 0.030 1 466 44 44 THR HG1 H 2.816 0.030 1 467 44 44 THR HG2 H 1.189 0.030 1 468 44 44 THR C C 174.206 0.300 1 469 44 44 THR CA C 61.776 0.300 1 470 44 44 THR CB C 69.848 0.300 1 471 44 44 THR CG2 C 21.625 0.300 1 472 44 44 THR N N 117.841 0.300 1 473 45 45 ASN H H 8.454 0.030 1 474 45 45 ASN HA H 4.691 0.030 1 475 45 45 ASN HB2 H 2.824 0.030 1 476 45 45 ASN HB3 H 2.824 0.030 1 477 45 45 ASN HD21 H 7.582 0.030 1 478 45 45 ASN HD22 H 7.582 0.030 1 479 45 45 ASN C C 174.627 0.300 1 480 45 45 ASN CA C 53.516 0.300 1 481 45 45 ASN CB C 38.806 0.300 1 482 45 45 ASN N N 120.347 0.300 1 483 45 45 ASN ND2 N 112.369 0.300 1 484 46 46 ASP H H 8.186 0.030 1 485 46 46 ASP HA H 4.551 0.030 1 486 46 46 ASP HB2 H 2.677 0.030 1 487 46 46 ASP HB3 H 2.677 0.030 1 488 46 46 ASP C C 176.254 0.300 1 489 46 46 ASP CA C 54.486 0.300 1 490 46 46 ASP CB C 41.428 0.300 1 491 46 46 ASP N N 119.754 0.300 1 492 47 47 LYS H H 8.229 0.030 1 493 47 47 LYS HA H 4.114 0.030 1 494 47 47 LYS HB2 H 1.507 0.030 1 495 47 47 LYS HB3 H 1.507 0.030 1 496 47 47 LYS HG2 H 1.085 0.030 1 497 47 47 LYS HG3 H 1.085 0.030 1 498 47 47 LYS HD2 H 1.507 0.030 1 499 47 47 LYS HD3 H 1.507 0.030 1 500 47 47 LYS HE2 H 2.832 0.030 1 501 47 47 LYS HE3 H 2.832 0.030 1 502 47 47 LYS C C 176.529 0.300 1 503 47 47 LYS CA C 57.159 0.300 1 504 47 47 LYS CB C 32.380 0.300 1 505 47 47 LYS CG C 24.374 0.300 1 506 47 47 LYS CD C 29.003 0.300 1 507 47 47 LYS CE C 42.020 0.300 1 508 47 47 LYS N N 120.666 0.300 1 509 48 48 TRP H H 8.137 0.030 1 510 48 48 TRP HA H 4.734 0.030 1 511 48 48 TRP HB2 H 3.259 0.030 2 512 48 48 TRP HB3 H 3.411 0.030 2 513 48 48 TRP HD1 H 7.271 0.030 1 514 48 48 TRP HE1 H 10.143 0.030 1 515 48 48 TRP HE3 H 7.656 0.030 1 516 48 48 TRP HZ2 H 7.495 0.030 1 517 48 48 TRP HZ3 H 7.152 0.030 1 518 48 48 TRP HH2 H 7.230 0.030 1 519 48 48 TRP C C 176.441 0.300 1 520 48 48 TRP CA C 57.487 0.300 1 521 48 48 TRP CB C 29.648 0.300 1 522 48 48 TRP CD1 C 127.307 0.300 1 523 48 48 TRP CE3 C 121.065 0.300 1 524 48 48 TRP CZ2 C 114.652 0.300 1 525 48 48 TRP CZ3 C 122.052 0.300 1 526 48 48 TRP CH2 C 124.782 0.300 1 527 48 48 TRP N N 120.044 0.300 1 528 48 48 TRP NE1 N 129.077 0.300 1 529 49 49 THR H H 7.898 0.030 1 530 49 49 THR HA H 4.358 0.030 1 531 49 49 THR HB H 4.189 0.030 1 532 49 49 THR HG2 H 1.166 0.030 1 533 49 49 THR C C 174.540 0.300 1 534 49 49 THR CA C 62.082 0.300 1 535 49 49 THR CB C 69.859 0.300 1 536 49 49 THR CG2 C 21.653 0.300 1 537 49 49 THR N N 115.635 0.300 1 538 50 50 ARG H H 8.277 0.030 1 539 50 50 ARG HB2 H 1.712 0.030 2 540 50 50 ARG HB3 H 1.784 0.030 2 541 50 50 ARG HG2 H 0.978 0.030 1 542 50 50 ARG HG3 H 0.978 0.030 1 543 50 50 ARG HE H 8.614 0.030 1 544 50 50 ARG C C 175.619 0.300 1 545 50 50 ARG CA C 56.294 0.300 1 546 50 50 ARG CB C 30.662 0.300 1 547 50 50 ARG CG C 24.715 0.300 1 548 50 50 ARG N N 122.143 0.300 1 549 51 51 ASN H H 8.294 0.030 1 550 51 51 ASN HB2 H 2.830 0.030 1 551 51 51 ASN HB3 H 2.830 0.030 1 552 51 51 ASN HD21 H 7.597 0.030 1 553 51 51 ASN HD22 H 7.597 0.030 1 554 51 51 ASN C C 174.540 0.300 1 555 51 51 ASN CB C 39.126 0.300 1 556 51 51 ASN N N 118.203 0.300 1 557 51 51 ASN ND2 N 112.479 0.300 1 558 52 52 ARG H H 8.283 0.030 1 559 52 52 ARG HA H 4.660 0.030 1 560 52 52 ARG HD2 H 3.170 0.030 1 561 52 52 ARG HD3 H 3.170 0.030 1 562 52 52 ARG CA C 54.185 0.300 1 563 52 52 ARG CD C 43.486 0.300 1 564 52 52 ARG N N 121.783 0.300 1 565 53 53 PRO HA H 4.363 0.030 1 566 53 53 PRO HB2 H 1.807 0.030 2 567 53 53 PRO HB3 H 2.220 0.030 2 568 53 53 PRO HG2 H 1.977 0.030 1 569 53 53 PRO HG3 H 1.977 0.030 1 570 53 53 PRO HD2 H 3.660 0.030 1 571 53 53 PRO HD3 H 3.660 0.030 1 572 53 53 PRO C C 176.005 0.300 1 573 53 53 PRO CA C 62.966 0.300 1 574 53 53 PRO CB C 32.228 0.300 1 575 53 53 PRO CG C 27.239 0.300 1 576 53 53 PRO CD C 50.533 0.300 1 577 54 54 ILE H H 8.127 0.030 1 578 54 54 ILE HA H 4.203 0.030 1 579 54 54 ILE HB H 1.408 0.030 1 580 54 54 ILE HG12 H 0.789 0.030 2 581 54 54 ILE HG13 H 1.088 0.030 2 582 54 54 ILE HG2 H 0.647 0.030 1 583 54 54 ILE HD1 H 0.223 0.030 1 584 54 54 ILE C C 175.235 0.300 1 585 54 54 ILE CA C 60.829 0.300 1 586 54 54 ILE CB C 37.606 0.300 1 587 54 54 ILE CG1 C 27.761 0.300 1 588 54 54 ILE CG2 C 17.909 0.300 1 589 54 54 ILE CD1 C 12.951 0.300 1 590 54 54 ILE N N 122.349 0.300 1 591 55 55 VAL H H 8.270 0.030 1 592 55 55 VAL HA H 4.634 0.030 1 593 55 55 VAL HB H 2.128 0.030 1 594 55 55 VAL HG1 H 0.956 0.030 2 595 55 55 VAL HG2 H 0.967 0.030 2 596 55 55 VAL C C 175.384 0.300 1 597 55 55 VAL CA C 60.399 0.300 1 598 55 55 VAL CB C 35.019 0.300 1 599 55 55 VAL CG1 C 20.266 0.300 2 600 55 55 VAL CG2 C 21.003 0.300 2 601 55 55 VAL N N 124.464 0.300 1 602 56 56 SER H H 8.652 0.030 1 603 56 56 SER HA H 5.213 0.030 1 604 56 56 SER HB2 H 3.817 0.030 2 605 56 56 SER HB3 H 4.064 0.030 2 606 56 56 SER C C 175.323 0.300 1 607 56 56 SER CA C 57.011 0.300 1 608 56 56 SER CB C 65.388 0.300 1 609 56 56 SER N N 119.808 0.300 1 610 57 57 THR H H 9.220 0.030 1 611 57 57 THR HA H 4.698 0.030 1 612 57 57 THR HB H 4.300 0.030 1 613 57 57 THR HG1 H 3.039 0.030 1 614 57 57 THR HG2 H 1.292 0.030 1 615 57 57 THR C C 173.946 0.300 1 616 57 57 THR CA C 61.894 0.300 1 617 57 57 THR CB C 70.851 0.300 1 618 57 57 THR CG2 C 22.060 0.300 1 619 57 57 THR N N 117.494 0.300 1 620 58 58 LYS H H 8.751 0.030 1 621 58 58 LYS HA H 5.643 0.030 1 622 58 58 LYS HB2 H 1.607 0.030 1 623 58 58 LYS HB3 H 1.607 0.030 1 624 58 58 LYS HG2 H 1.076 0.030 1 625 58 58 LYS HG3 H 1.076 0.030 1 626 58 58 LYS HD2 H 1.267 0.030 1 627 58 58 LYS HD3 H 1.267 0.030 1 628 58 58 LYS HE2 H 2.961 0.030 1 629 58 58 LYS HE3 H 2.961 0.030 1 630 58 58 LYS C C 176.553 0.300 1 631 58 58 LYS CA C 55.307 0.300 1 632 58 58 LYS CB C 35.575 0.300 1 633 58 58 LYS CG C 24.839 0.300 1 634 58 58 LYS CD C 25.017 0.300 1 635 58 58 LYS CE C 42.216 0.300 1 636 58 58 LYS N N 123.722 0.300 1 637 59 59 LYS H H 8.839 0.030 1 638 59 59 LYS HA H 4.696 0.030 1 639 59 59 LYS HB2 H 1.790 0.030 2 640 59 59 LYS HB3 H 1.943 0.030 2 641 59 59 LYS HG2 H 1.393 0.030 1 642 59 59 LYS HG3 H 1.393 0.030 1 643 59 59 LYS HD2 H 1.595 0.030 1 644 59 59 LYS HD3 H 1.595 0.030 1 645 59 59 LYS HE2 H 2.811 0.030 1 646 59 59 LYS HE3 H 2.811 0.030 1 647 59 59 LYS C C 174.895 0.300 1 648 59 59 LYS CA C 55.373 0.300 1 649 59 59 LYS CB C 37.156 0.300 1 650 59 59 LYS CG C 24.925 0.300 1 651 59 59 LYS CD C 29.091 0.300 1 652 59 59 LYS CE C 42.076 0.300 1 653 59 59 LYS N N 121.047 0.300 1 654 60 60 LEU H H 8.691 0.030 1 655 60 60 LEU HA H 4.972 0.030 1 656 60 60 LEU HB2 H 1.527 0.030 2 657 60 60 LEU HB3 H 1.673 0.030 2 658 60 60 LEU HD1 H 0.780 0.030 2 659 60 60 LEU HD2 H 0.868 0.030 2 660 60 60 LEU C C 177.893 0.300 1 661 60 60 LEU CA C 54.430 0.300 1 662 60 60 LEU CB C 43.986 0.300 1 663 60 60 LEU CD1 C 24.618 0.300 2 664 60 60 LEU CD2 C 24.965 0.300 2 665 60 60 LEU N N 124.938 0.300 1 666 61 61 ASP H H 8.482 0.030 1 667 61 61 ASP HA H 4.751 0.030 1 668 61 61 ASP HB2 H 3.407 0.030 2 669 61 61 ASP HB3 H 2.534 0.030 2 670 61 61 ASP C C 178.504 0.300 1 671 61 61 ASP CA C 52.058 0.300 1 672 61 61 ASP CB C 41.509 0.300 1 673 61 61 ASP N N 122.295 0.300 1 674 62 62 LYS H H 8.419 0.030 1 675 62 62 LYS HA H 4.159 0.030 1 676 62 62 LYS HB2 H 1.922 0.030 1 677 62 62 LYS HB3 H 1.922 0.030 1 678 62 62 LYS HG2 H 1.521 0.030 1 679 62 62 LYS HG3 H 1.521 0.030 1 680 62 62 LYS HD2 H 1.730 0.030 1 681 62 62 LYS HD3 H 1.730 0.030 1 682 62 62 LYS HE2 H 3.043 0.030 1 683 62 62 LYS HE3 H 3.043 0.030 1 684 62 62 LYS C C 177.672 0.300 1 685 62 62 LYS CA C 58.555 0.300 1 686 62 62 LYS CB C 32.209 0.300 1 687 62 62 LYS CG C 24.825 0.300 1 688 62 62 LYS CD C 29.195 0.300 1 689 62 62 LYS CE C 42.129 0.300 1 690 62 62 LYS N N 117.824 0.300 1 691 63 63 GLU H H 8.207 0.030 1 692 63 63 GLU HA H 4.419 0.030 1 693 63 63 GLU HB2 H 2.134 0.030 2 694 63 63 GLU HB3 H 2.259 0.030 2 695 63 63 GLU HG2 H 2.251 0.030 2 696 63 63 GLU HG3 H 2.318 0.030 2 697 63 63 GLU C C 176.575 0.300 1 698 63 63 GLU CA C 56.380 0.300 1 699 63 63 GLU CB C 29.841 0.300 1 700 63 63 GLU CG C 37.206 0.300 1 701 63 63 GLU N N 118.434 0.300 1 702 64 64 GLY H H 8.261 0.030 1 703 64 64 GLY HA2 H 3.656 0.030 1 704 64 64 GLY HA3 H 3.656 0.030 1 705 64 64 GLY C C 174.317 0.300 1 706 64 64 GLY CA C 45.726 0.300 1 707 64 64 GLY N N 108.046 0.300 1 708 65 65 ARG H H 8.635 0.030 1 709 65 65 ARG HA H 4.612 0.030 1 710 65 65 ARG HB2 H 1.714 0.030 1 711 65 65 ARG HB3 H 1.714 0.030 1 712 65 65 ARG HG2 H 1.717 0.030 1 713 65 65 ARG HG3 H 1.717 0.030 1 714 65 65 ARG HD2 H 3.172 0.030 1 715 65 65 ARG HD3 H 3.172 0.030 1 716 65 65 ARG C C 177.040 0.300 1 717 65 65 ARG CA C 54.756 0.300 1 718 65 65 ARG CB C 30.461 0.300 1 719 65 65 ARG CG C 27.031 0.300 1 720 65 65 ARG CD C 43.305 0.300 1 721 65 65 ARG N N 121.300 0.300 1 722 66 66 THR H H 8.905 0.030 1 723 66 66 THR HA H 4.374 0.030 1 724 66 66 THR HB H 3.926 0.030 1 725 66 66 THR HG1 H 4.956 0.030 1 726 66 66 THR HG2 H 0.746 0.030 1 727 66 66 THR C C 174.256 0.300 1 728 66 66 THR CA C 64.867 0.300 1 729 66 66 THR CB C 69.294 0.300 1 730 66 66 THR CG2 C 21.807 0.300 1 731 66 66 THR N N 121.186 0.300 1 732 67 67 HIS H H 9.507 0.030 1 733 67 67 HIS HA H 5.294 0.030 1 734 67 67 HIS HB2 H 3.215 0.030 1 735 67 67 HIS HB3 H 3.215 0.030 1 736 67 67 HIS HD1 H 8.549 0.030 1 737 67 67 HIS HD2 H 6.489 0.030 1 738 67 67 HIS HE1 H 8.349 0.030 1 739 67 67 HIS C C 172.725 0.300 1 740 67 67 HIS CA C 54.148 0.300 1 741 67 67 HIS CB C 31.385 0.300 1 742 67 67 HIS CD2 C 117.578 0.300 1 743 67 67 HIS CE1 C 136.804 0.300 1 744 67 67 HIS N N 126.847 0.300 1 745 67 67 HIS ND1 N 126.630 0.300 1 746 68 68 HIS H H 9.073 0.030 1 747 68 68 HIS HA H 5.186 0.030 1 748 68 68 HIS HB2 H 2.693 0.030 1 749 68 68 HIS HB3 H 2.693 0.030 1 750 68 68 HIS C C 174.567 0.300 1 751 68 68 HIS CA C 54.790 0.300 1 752 68 68 HIS CB C 34.069 0.300 1 753 68 68 HIS N N 121.225 0.300 1 754 69 69 TYR H H 9.424 0.030 1 755 69 69 TYR HA H 5.435 0.030 1 756 69 69 TYR HB2 H 3.045 0.030 1 757 69 69 TYR HB3 H 3.045 0.030 1 758 69 69 TYR HD1 H 7.183 0.030 1 759 69 69 TYR HD2 H 7.183 0.030 1 760 69 69 TYR HE1 H 6.690 0.030 1 761 69 69 TYR HE2 H 6.690 0.030 1 762 69 69 TYR C C 175.297 0.300 1 763 69 69 TYR CA C 56.561 0.300 1 764 69 69 TYR CB C 39.717 0.300 1 765 69 69 TYR CD1 C 133.234 0.300 1 766 69 69 TYR CD2 C 133.234 0.300 1 767 69 69 TYR CE1 C 118.067 0.300 1 768 69 69 TYR CE2 C 118.067 0.300 1 769 69 69 TYR N N 121.414 0.300 1 770 70 70 MET H H 8.764 0.030 1 771 70 70 MET HA H 5.025 0.030 1 772 70 70 MET HB2 H 1.883 0.030 2 773 70 70 MET HB3 H 1.967 0.030 2 774 70 70 MET HG2 H 2.386 0.030 2 775 70 70 MET HG3 H 2.553 0.030 2 776 70 70 MET C C 172.641 0.300 1 777 70 70 MET CA C 55.177 0.300 1 778 70 70 MET CB C 38.336 0.300 1 779 70 70 MET CG C 32.358 0.300 1 780 70 70 MET N N 123.254 0.300 1 781 71 71 ARG H H 8.503 0.030 1 782 71 71 ARG HA H 5.560 0.030 1 783 71 71 ARG HB2 H 1.504 0.030 1 784 71 71 ARG HB3 H 1.504 0.030 1 785 71 71 ARG HG2 H 1.384 0.030 2 786 71 71 ARG HG3 H 1.498 0.030 2 787 71 71 ARG HD2 H 3.146 0.030 1 788 71 71 ARG HD3 H 3.146 0.030 1 789 71 71 ARG HE H 4.834 0.030 1 790 71 71 ARG C C 175.093 0.300 1 791 71 71 ARG CA C 53.852 0.300 1 792 71 71 ARG CB C 34.300 0.300 1 793 71 71 ARG CG C 27.172 0.300 1 794 71 71 ARG CD C 44.030 0.300 1 795 71 71 ARG N N 123.645 0.300 1 796 72 72 PHE H H 8.354 0.030 1 797 72 72 PHE HA H 4.739 0.030 1 798 72 72 PHE HB2 H 3.284 0.030 1 799 72 72 PHE HB3 H 3.284 0.030 1 800 72 72 PHE C C 171.831 0.300 1 801 72 72 PHE CA C 56.495 0.300 1 802 72 72 PHE CB C 39.361 0.300 1 803 72 72 PHE N N 115.093 0.300 1 804 73 73 HIS H H 9.292 0.030 1 805 73 73 HIS HA H 5.541 0.030 1 806 73 73 HIS HB2 H 2.102 0.030 1 807 73 73 HIS HB3 H 2.102 0.030 1 808 73 73 HIS C C 175.595 0.300 1 809 73 73 HIS CA C 55.284 0.300 1 810 73 73 HIS CB C 31.285 0.300 1 811 73 73 HIS N N 117.832 0.300 1 812 74 74 VAL H H 8.049 0.030 1 813 74 74 VAL HA H 5.176 0.030 1 814 74 74 VAL HB H 1.738 0.030 1 815 74 74 VAL HG1 H 0.892 0.030 1 816 74 74 VAL HG2 H 0.891 0.030 1 817 74 74 VAL C C 173.502 0.300 1 818 74 74 VAL CA C 60.246 0.300 1 819 74 74 VAL CB C 35.441 0.300 1 820 74 74 VAL CG1 C 22.044 0.300 1 821 74 74 VAL CG2 C 22.044 0.300 1 822 74 74 VAL N N 115.038 0.300 1 823 75 75 GLU H H 9.319 0.030 1 824 75 75 GLU HA H 5.478 0.030 1 825 75 75 GLU HB2 H 2.088 0.030 2 826 75 75 GLU HB3 H 2.321 0.030 2 827 75 75 GLU HG2 H 2.313 0.030 2 828 75 75 GLU HG3 H 2.580 0.030 2 829 75 75 GLU C C 175.608 0.300 1 830 75 75 GLU CA C 54.813 0.300 1 831 75 75 GLU CB C 34.368 0.300 1 832 75 75 GLU CG C 36.308 0.300 1 833 75 75 GLU N N 126.335 0.300 1 834 76 76 SER H H 9.514 0.030 1 835 76 76 SER HA H 5.002 0.030 1 836 76 76 SER HB2 H 3.670 0.030 2 837 76 76 SER HB3 H 4.703 0.030 2 838 76 76 SER C C 174.089 0.300 1 839 76 76 SER CA C 55.550 0.300 1 840 76 76 SER CB C 68.155 0.300 1 841 76 76 SER N N 124.465 0.300 1 842 77 77 LYS H H 10.102 0.030 1 843 77 77 LYS HA H 4.105 0.030 1 844 77 77 LYS HB2 H 1.877 0.030 2 845 77 77 LYS HB3 H 2.055 0.030 2 846 77 77 LYS HG2 H 1.603 0.030 2 847 77 77 LYS HG3 H 1.710 0.030 2 848 77 77 LYS HD2 H 1.784 0.030 1 849 77 77 LYS HD3 H 1.784 0.030 1 850 77 77 LYS C C 178.196 0.300 1 851 77 77 LYS CA C 59.671 0.300 1 852 77 77 LYS CB C 31.893 0.300 1 853 77 77 LYS CG C 25.936 0.300 1 854 77 77 LYS CD C 33.251 0.300 1 855 77 77 LYS CE C 42.145 0.300 1 856 77 77 LYS N N 119.404 0.300 1 857 78 78 LYS H H 7.882 0.030 1 858 78 78 LYS HA H 4.462 0.030 1 859 78 78 LYS HB2 H 1.779 0.030 1 860 78 78 LYS HB3 H 1.779 0.030 1 861 78 78 LYS HG2 H 1.441 0.030 1 862 78 78 LYS HG3 H 1.441 0.030 1 863 78 78 LYS HD2 H 1.791 0.030 1 864 78 78 LYS HD3 H 1.791 0.030 1 865 78 78 LYS HE2 H 3.089 0.030 1 866 78 78 LYS HE3 H 3.089 0.030 1 867 78 78 LYS C C 177.019 0.300 1 868 78 78 LYS CA C 56.728 0.300 1 869 78 78 LYS CB C 36.817 0.300 1 870 78 78 LYS CG C 25.228 0.300 1 871 78 78 LYS CD C 29.049 0.300 1 872 78 78 LYS CE C 42.240 0.300 1 873 78 78 LYS N N 114.813 0.300 1 874 79 79 LYS H H 8.045 0.030 1 875 79 79 LYS HA H 4.851 0.030 1 876 79 79 LYS HE2 H 2.835 0.030 2 877 79 79 LYS HE3 H 2.988 0.030 2 878 79 79 LYS C C 173.283 0.300 1 879 79 79 LYS CA C 54.062 0.300 1 880 79 79 LYS CG C 20.727 0.300 1 881 79 79 LYS CE C 42.314 0.300 1 882 79 79 LYS N N 119.033 0.300 1 883 80 80 ILE H H 7.985 0.030 1 884 80 80 ILE HA H 4.682 0.030 1 885 80 80 ILE HB H 1.677 0.030 1 886 80 80 ILE HG12 H 0.893 0.030 2 887 80 80 ILE HG13 H 1.678 0.030 2 888 80 80 ILE HG2 H 0.889 0.030 1 889 80 80 ILE HD1 H 0.823 0.030 1 890 80 80 ILE C C 174.742 0.300 1 891 80 80 ILE CA C 61.111 0.300 1 892 80 80 ILE CB C 40.391 0.300 1 893 80 80 ILE CG1 C 28.272 0.300 1 894 80 80 ILE CG2 C 17.905 0.300 1 895 80 80 ILE CD1 C 14.134 0.300 1 896 80 80 ILE N N 118.442 0.300 1 897 81 81 ALA H H 9.303 0.030 1 898 81 81 ALA HA H 5.145 0.030 1 899 81 81 ALA HB H 1.230 0.030 1 900 81 81 ALA C C 176.239 0.300 1 901 81 81 ALA CA C 49.757 0.300 1 902 81 81 ALA CB C 24.289 0.300 1 903 81 81 ALA N N 127.324 0.300 1 904 82 82 LEU H H 8.407 0.030 1 905 82 82 LEU HA H 4.656 0.030 1 906 82 82 LEU HB2 H 1.538 0.030 2 907 82 82 LEU HB3 H 1.838 0.030 2 908 82 82 LEU HD1 H 0.416 0.030 1 909 82 82 LEU C C 174.477 0.300 1 910 82 82 LEU CA C 54.096 0.300 1 911 82 82 LEU CB C 44.945 0.300 1 912 82 82 LEU CD1 C 22.554 0.300 1 913 82 82 LEU CD2 C 22.554 0.300 1 914 82 82 LEU N N 122.832 0.300 1 915 83 83 VAL H H 9.091 0.030 1 916 83 83 VAL HA H 4.368 0.030 1 917 83 83 VAL HB H 0.303 0.030 1 918 83 83 VAL HG1 H 0.305 0.030 2 919 83 83 VAL HG2 H 0.468 0.030 2 920 83 83 VAL C C 173.515 0.300 1 921 83 83 VAL CA C 60.711 0.300 1 922 83 83 VAL CB C 32.084 0.300 1 923 83 83 VAL CG1 C 21.424 0.300 2 924 83 83 VAL CG2 C 21.848 0.300 2 925 83 83 VAL N N 127.961 0.300 1 926 84 84 HIS H H 8.216 0.030 1 927 84 84 HIS HA H 4.868 0.030 1 928 84 84 HIS HB2 H 2.038 0.030 1 929 84 84 HIS HB3 H 2.038 0.030 1 930 84 84 HIS C C 173.822 0.300 1 931 84 84 HIS CA C 54.675 0.300 1 932 84 84 HIS CB C 32.984 0.300 1 933 84 84 HIS N N 123.575 0.300 1 934 85 85 LEU H H 8.794 0.030 1 935 85 85 LEU HA H 5.166 0.030 1 936 85 85 LEU HB2 H 1.601 0.030 2 937 85 85 LEU HB3 H 1.630 0.030 2 938 85 85 LEU HG H 1.738 0.030 1 939 85 85 LEU HD1 H 0.667 0.030 2 940 85 85 LEU HD2 H 0.782 0.030 2 941 85 85 LEU C C 173.860 0.300 1 942 85 85 LEU CA C 53.791 0.300 1 943 85 85 LEU CB C 46.777 0.300 1 944 85 85 LEU CG C 25.878 0.300 1 945 85 85 LEU CD1 C 24.200 0.300 2 946 85 85 LEU CD2 C 28.486 0.300 2 947 85 85 LEU N N 121.419 0.300 1 948 86 86 GLU H H 8.852 0.030 1 949 86 86 GLU HA H 5.349 0.030 1 950 86 86 GLU HB2 H 1.934 0.030 2 951 86 86 GLU HB3 H 2.038 0.030 2 952 86 86 GLU HG2 H 1.896 0.030 1 953 86 86 GLU HG3 H 1.896 0.030 1 954 86 86 GLU CA C 54.070 0.300 1 955 86 86 GLU CB C 33.559 0.300 1 956 86 86 GLU CG C 36.340 0.300 1 957 86 86 GLU N N 122.442 0.300 1 958 87 87 ALA H H 9.419 0.030 1 959 87 87 ALA HA H 5.445 0.030 1 960 87 87 ALA HB H 0.984 0.030 1 961 87 87 ALA C C 175.108 0.300 1 962 87 87 ALA CA C 49.606 0.300 1 963 87 87 ALA CB C 23.562 0.300 1 964 87 87 ALA N N 129.208 0.300 1 965 88 88 LYS H H 9.245 0.030 1 966 88 88 LYS HA H 4.927 0.030 1 967 88 88 LYS HB2 H 1.116 0.030 2 968 88 88 LYS HB3 H 1.490 0.030 2 969 88 88 LYS HG2 H 0.776 0.030 1 970 88 88 LYS HG3 H 0.776 0.030 1 971 88 88 LYS HE2 H 2.827 0.030 1 972 88 88 LYS HE3 H 2.827 0.030 1 973 88 88 LYS C C 174.814 0.300 1 974 88 88 LYS CA C 54.924 0.300 1 975 88 88 LYS CB C 36.704 0.300 1 976 88 88 LYS CG C 24.495 0.300 1 977 88 88 LYS CE C 41.932 0.300 1 978 88 88 LYS N N 121.504 0.300 1 979 89 89 GLU H H 8.551 0.030 1 980 89 89 GLU HA H 4.255 0.030 1 981 89 89 GLU HB2 H 2.121 0.030 1 982 89 89 GLU HB3 H 2.121 0.030 1 983 89 89 GLU HG2 H 2.373 0.030 1 984 89 89 GLU HG3 H 2.373 0.030 1 985 89 89 GLU C C 175.287 0.300 1 986 89 89 GLU CA C 56.771 0.300 1 987 89 89 GLU CB C 31.081 0.300 1 988 89 89 GLU CG C 36.302 0.300 1 989 89 89 GLU N N 126.617 0.300 1 990 90 90 SER H H 8.885 0.030 1 991 90 90 SER HA H 4.509 0.030 1 992 90 90 SER HB2 H 3.862 0.030 1 993 90 90 SER HB3 H 3.862 0.030 1 994 90 90 SER C C 174.912 0.300 1 995 90 90 SER CA C 57.836 0.300 1 996 90 90 SER CB C 64.526 0.300 1 997 90 90 SER N N 120.656 0.300 1 998 91 91 LYS H H 8.462 0.030 1 999 91 91 LYS HA H 4.310 0.030 1 1000 91 91 LYS HB2 H 1.636 0.030 2 1001 91 91 LYS HB3 H 1.800 0.030 2 1002 91 91 LYS HG2 H 1.407 0.030 1 1003 91 91 LYS HG3 H 1.407 0.030 1 1004 91 91 LYS HD2 H 1.586 0.030 1 1005 91 91 LYS HD3 H 1.586 0.030 1 1006 91 91 LYS HE2 H 2.889 0.030 1 1007 91 91 LYS HE3 H 2.889 0.030 1 1008 91 91 LYS C C 176.417 0.300 1 1009 91 91 LYS CA C 56.595 0.300 1 1010 91 91 LYS CB C 33.483 0.300 1 1011 91 91 LYS CG C 24.937 0.300 1 1012 91 91 LYS CD C 29.094 0.300 1 1013 91 91 LYS CE C 41.987 0.300 1 1014 91 91 LYS N N 122.326 0.300 1 1015 92 92 GLN H H 8.399 0.030 1 1016 92 92 GLN HA H 4.245 0.030 1 1017 92 92 GLN HB2 H 1.968 0.030 2 1018 92 92 GLN HB3 H 2.044 0.030 2 1019 92 92 GLN HG2 H 2.373 0.030 1 1020 92 92 GLN HG3 H 2.373 0.030 1 1021 92 92 GLN C C 175.767 0.300 1 1022 92 92 GLN CA C 56.907 0.300 1 1023 92 92 GLN CB C 29.263 0.300 1 1024 92 92 GLN CG C 33.946 0.300 1 1025 92 92 GLN N N 118.746 0.300 1 1026 93 93 ASN H H 8.268 0.030 1 1027 93 93 ASN HA H 4.614 0.030 1 1028 93 93 ASN HB2 H 2.912 0.030 1 1029 93 93 ASN HB3 H 2.912 0.030 1 1030 93 93 ASN HD21 H 6.907 0.030 2 1031 93 93 ASN HD22 H 7.668 0.030 2 1032 93 93 ASN C C 174.618 0.300 1 1033 93 93 ASN CA C 53.672 0.300 1 1034 93 93 ASN CB C 38.846 0.300 1 1035 93 93 ASN N N 116.669 0.300 1 1036 93 93 ASN ND2 N 113.284 0.300 1 1037 94 94 TYR H H 7.986 0.030 1 1038 94 94 TYR HA H 4.574 0.030 1 1039 94 94 TYR HB2 H 3.054 0.030 1 1040 94 94 TYR HB3 H 3.054 0.030 1 1041 94 94 TYR HD1 H 7.199 0.030 1 1042 94 94 TYR HD2 H 7.199 0.030 1 1043 94 94 TYR HE1 H 6.914 0.030 1 1044 94 94 TYR HE2 H 6.914 0.030 1 1045 94 94 TYR C C 175.619 0.300 1 1046 94 94 TYR CA C 58.023 0.300 1 1047 94 94 TYR CB C 38.856 0.300 1 1048 94 94 TYR CD1 C 133.413 0.300 1 1049 94 94 TYR CD2 C 133.413 0.300 1 1050 94 94 TYR CE1 C 118.693 0.300 1 1051 94 94 TYR CE2 C 118.693 0.300 1 1052 94 94 TYR N N 119.318 0.300 1 1053 95 95 GLN H H 8.069 0.030 1 1054 95 95 GLN HA H 4.531 0.030 1 1055 95 95 GLN HB2 H 1.829 0.030 2 1056 95 95 GLN HB3 H 1.915 0.030 2 1057 95 95 GLN HG2 H 2.172 0.030 1 1058 95 95 GLN HG3 H 2.172 0.030 1 1059 95 95 GLN HE21 H 6.758 0.030 2 1060 95 95 GLN HE22 H 7.463 0.030 2 1061 95 95 GLN CA C 53.531 0.300 1 1062 95 95 GLN CB C 28.242 0.300 1 1063 95 95 GLN CG C 32.952 0.300 1 1064 95 95 GLN N N 120.162 0.300 1 1065 95 95 GLN NE2 N 111.353 0.300 1 1066 96 96 PRO HA H 4.384 0.030 1 1067 96 96 PRO HB2 H 1.327 0.030 1 1068 96 96 PRO HB3 H 1.327 0.030 1 1069 96 96 PRO HG2 H 1.670 0.030 1 1070 96 96 PRO HG3 H 1.670 0.030 1 1071 96 96 PRO HD2 H 3.470 0.030 2 1072 96 96 PRO HD3 H 3.793 0.030 2 1073 96 96 PRO C C 175.503 0.300 1 1074 96 96 PRO CA C 62.921 0.300 1 1075 96 96 PRO CB C 32.739 0.300 1 1076 96 96 PRO CG C 27.166 0.300 1 1077 96 96 PRO CD C 50.300 0.300 1 1078 97 97 ASP H H 8.297 0.030 1 1079 97 97 ASP HA H 4.759 0.030 1 1080 97 97 ASP HB2 H 2.481 0.030 2 1081 97 97 ASP HB3 H 2.620 0.030 2 1082 97 97 ASP C C 176.563 0.300 1 1083 97 97 ASP CA C 53.325 0.300 1 1084 97 97 ASP CB C 42.741 0.300 1 1085 97 97 ASP N N 120.864 0.300 1 1086 98 98 PHE H H 9.050 0.030 1 1087 98 98 PHE HA H 4.671 0.030 1 1088 98 98 PHE HB2 H 2.804 0.030 2 1089 98 98 PHE HB3 H 3.140 0.030 2 1090 98 98 PHE HD1 H 7.197 0.030 1 1091 98 98 PHE HD2 H 7.197 0.030 1 1092 98 98 PHE C C 175.583 0.300 1 1093 98 98 PHE CA C 58.401 0.300 1 1094 98 98 PHE CB C 39.078 0.300 1 1095 98 98 PHE N N 122.640 0.300 1 1096 99 99 ILE H H 8.938 0.030 1 1097 99 99 ILE HA H 4.541 0.030 1 1098 99 99 ILE HB H 1.916 0.030 1 1099 99 99 ILE HG12 H 0.901 0.030 2 1100 99 99 ILE HG13 H 1.234 0.030 2 1101 99 99 ILE HG2 H 0.907 0.030 1 1102 99 99 ILE HD1 H 0.797 0.030 1 1103 99 99 ILE C C 175.619 0.300 1 1104 99 99 ILE CA C 60.952 0.300 1 1105 99 99 ILE CB C 39.589 0.300 1 1106 99 99 ILE CG1 C 26.812 0.300 1 1107 99 99 ILE CG2 C 17.818 0.300 1 1108 99 99 ILE CD1 C 13.199 0.300 1 1109 99 99 ILE N N 117.704 0.300 1 1110 100 100 ASN H H 7.783 0.030 1 1111 100 100 ASN HA H 4.944 0.030 1 1112 100 100 ASN HB2 H 2.914 0.030 2 1113 100 100 ASN HB3 H 2.964 0.030 2 1114 100 100 ASN HD21 H 6.851 0.030 2 1115 100 100 ASN HD22 H 7.862 0.030 2 1116 100 100 ASN C C 174.072 0.300 1 1117 100 100 ASN CA C 53.897 0.300 1 1118 100 100 ASN CB C 42.772 0.300 1 1119 100 100 ASN N N 117.729 0.300 1 1120 100 100 ASN ND2 N 111.140 0.300 1 1121 101 101 MET H H 9.370 0.030 1 1122 101 101 MET HA H 5.511 0.030 1 1123 101 101 MET HB2 H 2.170 0.030 2 1124 101 101 MET HB3 H 1.803 0.030 2 1125 101 101 MET HG2 H 2.463 0.030 1 1126 101 101 MET HG3 H 2.463 0.030 1 1127 101 101 MET HE H 1.661 0.030 1 1128 101 101 MET C C 174.096 0.300 1 1129 101 101 MET CA C 56.626 0.300 1 1130 101 101 MET CB C 35.325 0.300 1 1131 101 101 MET CG C 31.302 0.300 1 1132 101 101 MET CE C 17.609 0.300 1 1133 101 101 MET N N 124.036 0.300 1 1134 102 102 TYR H H 8.954 0.030 1 1135 102 102 TYR HA H 5.547 0.030 1 1136 102 102 TYR HB2 H 2.392 0.030 2 1137 102 102 TYR HB3 H 2.550 0.030 2 1138 102 102 TYR HD1 H 6.648 0.030 1 1139 102 102 TYR HD2 H 6.648 0.030 1 1140 102 102 TYR HE1 H 6.422 0.030 1 1141 102 102 TYR HE2 H 6.422 0.030 1 1142 102 102 TYR C C 172.278 0.300 1 1143 102 102 TYR CA C 55.263 0.300 1 1144 102 102 TYR CB C 40.662 0.300 1 1145 102 102 TYR CD1 C 133.418 0.300 1 1146 102 102 TYR CD2 C 133.418 0.300 1 1147 102 102 TYR CE1 C 118.258 0.300 1 1148 102 102 TYR CE2 C 118.258 0.300 1 1149 102 102 TYR N N 125.313 0.300 1 1150 103 103 VAL H H 9.134 0.030 1 1151 103 103 VAL HA H 4.997 0.030 1 1152 103 103 VAL HB H 1.977 0.030 1 1153 103 103 VAL HG1 H 0.783 0.030 2 1154 103 103 VAL HG2 H 0.885 0.030 2 1155 103 103 VAL C C 174.601 0.300 1 1156 103 103 VAL CA C 60.558 0.300 1 1157 103 103 VAL CB C 35.611 0.300 1 1158 103 103 VAL CG1 C 21.692 0.300 2 1159 103 103 VAL CG2 C 22.200 0.300 2 1160 103 103 VAL N N 117.426 0.300 1 1161 104 104 ASP H H 9.406 0.030 1 1162 104 104 ASP HA H 5.346 0.030 1 1163 104 104 ASP HB2 H 2.702 0.030 1 1164 104 104 ASP HB3 H 2.702 0.030 1 1165 104 104 ASP C C 175.213 0.300 1 1166 104 104 ASP CA C 53.673 0.300 1 1167 104 104 ASP CB C 42.843 0.300 1 1168 104 104 ASP N N 129.750 0.300 1 1169 105 105 VAL H H 9.233 0.030 1 1170 105 105 VAL HA H 3.695 0.030 1 1171 105 105 VAL HG1 H 0.962 0.030 1 1172 105 105 VAL CA C 59.216 0.300 1 1173 105 105 VAL CB C 33.504 0.300 1 1174 105 105 VAL CG1 C 20.939 0.300 1 1175 105 105 VAL CG2 C 20.939 0.300 1 1176 105 105 VAL N N 129.536 0.300 1 1177 106 106 PRO HA H 4.386 0.030 1 1178 106 106 PRO HB2 H 2.401 0.030 2 1179 106 106 PRO HB3 H 1.968 0.030 2 1180 106 106 PRO HG2 H 2.154 0.030 2 1181 106 106 PRO HG3 H 2.312 0.030 2 1182 106 106 PRO HD2 H 3.696 0.030 2 1183 106 106 PRO HD3 H 4.224 0.030 2 1184 106 106 PRO C C 177.515 0.300 1 1185 106 106 PRO CA C 64.690 0.300 1 1186 106 106 PRO CB C 31.889 0.300 1 1187 106 106 PRO CG C 28.100 0.300 1 1188 106 106 PRO CD C 52.429 0.300 1 1189 107 107 GLY H H 8.894 0.030 1 1190 107 107 GLY HA2 H 3.705 0.030 1 1191 107 107 GLY HA3 H 3.705 0.030 1 1192 107 107 GLY C C 173.912 0.300 1 1193 107 107 GLY CA C 45.296 0.300 1 1194 107 107 GLY N N 113.009 0.300 1 1195 108 108 GLU H H 8.218 0.030 1 1196 108 108 GLU HA H 4.957 0.030 1 1197 108 108 GLU HB2 H 2.228 0.030 2 1198 108 108 GLU HB3 H 1.921 0.030 2 1199 108 108 GLU C C 176.816 0.300 1 1200 108 108 GLU CA C 53.233 0.300 1 1201 108 108 GLU CB C 31.620 0.300 1 1202 108 108 GLU N N 118.342 0.300 1 1203 109 109 LYS H H 8.893 0.030 1 1204 109 109 LYS HA H 4.315 0.030 1 1205 109 109 LYS HB2 H 1.863 0.030 2 1206 109 109 LYS HB3 H 1.890 0.030 2 1207 109 109 LYS C C 177.852 0.300 1 1208 109 109 LYS CA C 56.369 0.300 1 1209 109 109 LYS CB C 32.656 0.300 1 1210 109 109 LYS N N 122.073 0.300 1 1211 110 110 ARG H H 8.589 0.030 1 1212 110 110 ARG HA H 4.184 0.030 1 1213 110 110 ARG HB2 H 1.968 0.030 2 1214 110 110 ARG HB3 H 1.520 0.030 2 1215 110 110 ARG C C 174.489 0.300 1 1216 110 110 ARG CA C 58.177 0.300 1 1217 110 110 ARG CB C 31.055 0.300 1 1218 110 110 ARG CG C 27.143 0.300 1 1219 110 110 ARG CD C 44.744 0.300 1 1220 110 110 ARG N N 126.531 0.300 1 1221 111 111 TYR H H 8.428 0.030 1 1222 111 111 TYR HA H 4.751 0.030 1 1223 111 111 TYR HB2 H 2.935 0.030 2 1224 111 111 TYR HB3 H 2.817 0.030 2 1225 111 111 TYR HD1 H 6.971 0.030 1 1226 111 111 TYR HD2 H 6.971 0.030 1 1227 111 111 TYR HE1 H 6.792 0.030 1 1228 111 111 TYR HE2 H 6.792 0.030 1 1229 111 111 TYR C C 175.574 0.300 1 1230 111 111 TYR CA C 56.861 0.300 1 1231 111 111 TYR CB C 40.944 0.300 1 1232 111 111 TYR CD1 C 132.782 0.300 1 1233 111 111 TYR CD2 C 132.782 0.300 1 1234 111 111 TYR CE1 C 119.107 0.300 1 1235 111 111 TYR CE2 C 119.107 0.300 1 1236 111 111 TYR N N 128.451 0.300 1 1237 112 112 TYR H H 8.762 0.030 1 1238 112 112 TYR HA H 4.658 0.030 1 1239 112 112 TYR HB2 H 2.723 0.030 2 1240 112 112 TYR HB3 H 2.582 0.030 2 1241 112 112 TYR HD1 H 7.224 0.030 1 1242 112 112 TYR HD2 H 7.224 0.030 1 1243 112 112 TYR HE1 H 6.742 0.030 1 1244 112 112 TYR HE2 H 6.742 0.030 1 1245 112 112 TYR C C 174.908 0.300 1 1246 112 112 TYR CA C 58.539 0.300 1 1247 112 112 TYR CB C 38.941 0.300 1 1248 112 112 TYR CD1 C 133.691 0.300 1 1249 112 112 TYR CD2 C 133.691 0.300 1 1250 112 112 TYR CE1 C 118.215 0.300 1 1251 112 112 TYR CE2 C 118.215 0.300 1 1252 112 112 TYR N N 127.405 0.300 1 1253 113 113 LEU H H 8.507 0.030 1 1254 113 113 LEU HA H 4.503 0.030 1 1255 113 113 LEU HB2 H 1.456 0.030 2 1256 113 113 LEU HB3 H 1.808 0.030 2 1257 113 113 LEU HD1 H 1.032 0.030 1 1258 113 113 LEU HD2 H 1.028 0.030 1 1259 113 113 LEU C C 176.972 0.300 1 1260 113 113 LEU CA C 57.750 0.300 1 1261 113 113 LEU CB C 43.889 0.300 1 1262 113 113 LEU CD1 C 26.363 0.300 1 1263 113 113 LEU CD2 C 26.363 0.300 1 1264 113 113 LEU N N 125.275 0.300 1 1265 114 114 ILE H H 7.997 0.030 1 1266 114 114 ILE HA H 4.359 0.030 1 1267 114 114 ILE HB H 1.644 0.030 1 1268 114 114 ILE HG12 H 1.216 0.030 2 1269 114 114 ILE HG13 H 1.400 0.030 2 1270 114 114 ILE HG2 H 0.854 0.030 1 1271 114 114 ILE HD1 H 0.877 0.030 1 1272 114 114 ILE C C 174.043 0.300 1 1273 114 114 ILE CA C 60.901 0.300 1 1274 114 114 ILE CB C 41.765 0.300 1 1275 114 114 ILE CG1 C 27.284 0.300 1 1276 114 114 ILE CG2 C 16.944 0.300 1 1277 114 114 ILE CD1 C 14.140 0.300 1 1278 114 114 ILE N N 118.196 0.300 1 1279 115 115 LYS H H 8.177 0.030 1 1280 115 115 LYS HA H 4.440 0.030 1 1281 115 115 LYS HB2 H 1.588 0.030 2 1282 115 115 LYS HB3 H 1.713 0.030 2 1283 115 115 LYS HG2 H 1.218 0.030 1 1284 115 115 LYS HG3 H 1.218 0.030 1 1285 115 115 LYS HD2 H 1.219 0.030 1 1286 115 115 LYS HD3 H 1.219 0.030 1 1287 115 115 LYS HE2 H 2.668 0.030 1 1288 115 115 LYS HE3 H 2.668 0.030 1 1289 115 115 LYS CA C 57.708 0.300 1 1290 115 115 LYS CB C 34.353 0.300 1 1291 115 115 LYS CE C 41.998 0.300 1 1292 115 115 LYS N N 131.217 0.300 1 stop_ save_