data_10026 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of kinase associated domain 1 of mouse MAP/microtubule affinity-regulating kinase 3 ; _BMRB_accession_number 10026 _BMRB_flat_file_name bmr10026.str _Entry_type original _Submission_date 2006-09-25 _Accession_date 2006-09-25 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 740 "13C chemical shifts" 559 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-24 original author . stop_ _Original_release_date 2008-06-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the kinase-associated domain 1 of mouse microtubule-associated protein/microtubule affinity-regulating kinase 3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17075132 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Koshiba S. . . 3 Kobayashi N. . . 4 Inoue M. . . 5 Yabuki T. . . 6 Aoki M. . . 7 Seki E. . . 8 Matsuda T. . . 9 Tomo Y. . . 10 Motoda Y. . . 11 Kobayashi A. . . 12 Tanaka A. . . 13 Hayashizaki Y. . . 14 Terada T. . . 15 Shirouzu M. . . 16 Kigawa T. . . 17 Yokoyama S. . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2534 _Page_last 2543 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MAP/microtubule affinity-regulating kinase 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAP/microtubule affinity-regulating kinase 3' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Kinase associated domain 1 (KA1)' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MKDHLIHNVHKEEHAHAHNK DYDIPTTENLYFQGSSGSSG DMMREIRKVLGANNCDYEQR ERFLLFCVHGDGHAENLVQW EMEVCKLPRLSLNGVRFKRI SGTSIAFKNIASKIANELKL SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ASP 4 HIS 5 LEU 6 ILE 7 HIS 8 ASN 9 VAL 10 HIS 11 LYS 12 GLU 13 GLU 14 HIS 15 ALA 16 HIS 17 ALA 18 HIS 19 ASN 20 LYS 21 ASP 22 TYR 23 ASP 24 ILE 25 PRO 26 THR 27 THR 28 GLU 29 ASN 30 LEU 31 TYR 32 PHE 33 GLN 34 GLY 35 SER 36 SER 37 GLY 38 SER 39 SER 40 GLY 41 ASP 42 MET 43 MET 44 ARG 45 GLU 46 ILE 47 ARG 48 LYS 49 VAL 50 LEU 51 GLY 52 ALA 53 ASN 54 ASN 55 CYS 56 ASP 57 TYR 58 GLU 59 GLN 60 ARG 61 GLU 62 ARG 63 PHE 64 LEU 65 LEU 66 PHE 67 CYS 68 VAL 69 HIS 70 GLY 71 ASP 72 GLY 73 HIS 74 ALA 75 GLU 76 ASN 77 LEU 78 VAL 79 GLN 80 TRP 81 GLU 82 MET 83 GLU 84 VAL 85 CYS 86 LYS 87 LEU 88 PRO 89 ARG 90 LEU 91 SER 92 LEU 93 ASN 94 GLY 95 VAL 96 ARG 97 PHE 98 LYS 99 ARG 100 ILE 101 SER 102 GLY 103 THR 104 SER 105 ILE 106 ALA 107 PHE 108 LYS 109 ASN 110 ILE 111 ALA 112 SER 113 LYS 114 ILE 115 ALA 116 ASN 117 GLU 118 LEU 119 LYS 120 LEU 121 SER 122 GLY 123 PRO 124 SER 125 SER 126 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1V5S "Solution Structure Of Kinase Associated Domain 1 Of Mouse MapMICROTUBULE AFFINITY-Regulating Kinase 3" 100.00 126 100.00 100.00 1.96e-88 REF XP_002696830 "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X19 [Bos taurus]" 63.49 757 97.50 98.75 6.37e-46 REF XP_005200933 "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X7 [Bos taurus]" 63.49 766 97.50 98.75 5.92e-46 REF XP_005200934 "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X9 [Bos taurus]" 63.49 751 97.50 98.75 6.29e-46 REF XP_005200936 "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X10 [Bos taurus]" 63.49 742 97.50 98.75 5.36e-46 REF XP_005200937 "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X11 [Bos taurus]" 63.49 726 97.50 98.75 6.19e-46 TPG DAA17379 "TPA: MAP/microtubule affinity-regulating kinase 3-like [Bos taurus]" 63.49 1025 97.50 98.75 1.01e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus 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 'cell free synthesis' . . . . PLASMID P020417-25 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 $entity_1 2.0 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.A.' save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.853 loop_ _Task 'data analysis' stop_ _Details 'Kobayashi, N.' save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Task 'structure solution & refinement' stop_ _Details 'Guntert, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_13C-separated_NOESY 3D_15N-separated_NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'MAP/microtubule affinity-regulating kinase 3' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 2.115 0.030 1 2 1 1 MET C C 176.388 0.300 1 3 1 1 MET CA C 54.620 0.300 1 4 1 1 MET CB C 33.032 0.300 1 5 1 1 MET CG C 32.004 0.300 1 6 1 1 MET CE C 16.858 0.300 1 7 2 2 LYS C C 176.339 0.300 1 8 2 2 LYS CA C 56.652 0.300 1 9 2 2 LYS CB C 32.867 0.300 1 10 2 2 LYS CG C 24.697 0.300 1 11 2 2 LYS CD C 29.066 0.300 1 12 2 2 LYS CE C 42.090 0.300 1 13 2 2 LYS N N 122.412 0.300 1 14 3 3 ASP H H 8.226 0.030 1 15 3 3 ASP HB2 H 2.685 0.030 2 16 3 3 ASP HB3 H 2.585 0.030 2 17 3 3 ASP C C 175.962 0.300 1 18 3 3 ASP CA C 54.403 0.300 1 19 3 3 ASP CB C 40.815 0.300 1 20 3 3 ASP N N 120.140 0.300 1 21 4 4 HIS H H 8.420 0.030 1 22 4 4 HIS HA H 4.697 0.030 1 23 4 4 HIS HB2 H 3.265 0.030 2 24 4 4 HIS HB3 H 3.160 0.030 2 25 4 4 HIS HD2 H 7.292 0.030 1 26 4 4 HIS HE1 H 8.595 0.030 1 27 4 4 HIS C C 174.213 0.300 1 28 4 4 HIS CA C 55.492 0.300 1 29 4 4 HIS CB C 29.035 0.300 1 30 4 4 HIS CD2 C 120.151 0.300 1 31 4 4 HIS CE1 C 136.411 0.300 1 32 4 4 HIS N N 118.011 0.300 1 33 5 5 LEU H H 8.283 0.030 1 34 5 5 LEU HA H 4.323 0.030 1 35 5 5 LEU HB2 H 1.603 0.030 2 36 5 5 LEU HB3 H 1.462 0.030 2 37 5 5 LEU HG H 1.481 0.030 1 38 5 5 LEU HD1 H 0.899 0.030 1 39 5 5 LEU HD2 H 0.833 0.030 1 40 5 5 LEU C C 176.976 0.300 1 41 5 5 LEU CA C 55.223 0.300 1 42 5 5 LEU CB C 42.289 0.300 1 43 5 5 LEU CG C 27.004 0.300 1 44 5 5 LEU CD1 C 24.984 0.300 2 45 5 5 LEU CD2 C 23.452 0.300 2 46 5 5 LEU N N 122.928 0.300 1 47 6 6 ILE H H 8.120 0.030 1 48 6 6 ILE HA H 4.098 0.030 1 49 6 6 ILE HB H 1.798 0.030 1 50 6 6 ILE HG12 H 1.401 0.030 2 51 6 6 ILE HG13 H 1.145 0.030 2 52 6 6 ILE HG2 H 0.827 0.030 1 53 6 6 ILE HD1 H 0.831 0.030 1 54 6 6 ILE C C 176.020 0.300 1 55 6 6 ILE CA C 60.972 0.300 1 56 6 6 ILE CB C 38.533 0.300 1 57 6 6 ILE CG1 C 27.294 0.300 1 58 6 6 ILE CG2 C 17.525 0.300 1 59 6 6 ILE CD1 C 12.662 0.300 1 60 6 6 ILE N N 121.702 0.300 1 61 7 7 HIS H H 8.619 0.030 1 62 7 7 HIS HA H 4.746 0.030 1 63 7 7 HIS HB2 H 3.265 0.030 2 64 7 7 HIS HB3 H 3.161 0.030 2 65 7 7 HIS HD2 H 7.263 0.030 1 66 7 7 HIS HE1 H 8.598 0.030 1 67 7 7 HIS C C 173.849 0.300 1 68 7 7 HIS CA C 54.965 0.300 1 69 7 7 HIS CB C 29.023 0.300 1 70 7 7 HIS CD2 C 120.151 0.300 1 71 7 7 HIS CE1 C 136.429 0.300 1 72 7 7 HIS N N 123.028 0.300 1 73 8 8 ASN H H 8.539 0.030 1 74 8 8 ASN HA H 4.720 0.030 1 75 8 8 ASN HB2 H 2.807 0.030 2 76 8 8 ASN HB3 H 2.718 0.030 2 77 8 8 ASN HD21 H 7.517 0.030 2 78 8 8 ASN HD22 H 6.775 0.030 2 79 8 8 ASN C C 174.942 0.300 1 80 8 8 ASN CA C 53.151 0.300 1 81 8 8 ASN CB C 38.909 0.300 1 82 8 8 ASN N N 121.119 0.300 1 83 8 8 ASN ND2 N 111.845 0.300 1 84 9 9 VAL H H 8.178 0.030 1 85 9 9 VAL HA H 4.075 0.030 1 86 9 9 VAL HB H 2.038 0.030 1 87 9 9 VAL HG1 H 0.854 0.030 1 88 9 9 VAL HG2 H 0.854 0.030 1 89 9 9 VAL C C 175.914 0.300 1 90 9 9 VAL CA C 62.413 0.300 1 91 9 9 VAL CB C 32.575 0.300 1 92 9 9 VAL CG1 C 20.307 0.300 2 93 9 9 VAL CG2 C 21.050 0.300 2 94 9 9 VAL N N 120.566 0.300 1 95 10 10 HIS H H 8.611 0.030 1 96 10 10 HIS HA H 4.709 0.030 1 97 10 10 HIS HB2 H 3.255 0.030 2 98 10 10 HIS HB3 H 3.181 0.030 2 99 10 10 HIS HD2 H 7.286 0.030 1 100 10 10 HIS HE1 H 8.598 0.030 1 101 10 10 HIS C C 174.286 0.300 1 102 10 10 HIS CA C 55.282 0.300 1 103 10 10 HIS CB C 29.059 0.300 1 104 10 10 HIS CD2 C 120.151 0.300 1 105 10 10 HIS CE1 C 136.429 0.300 1 106 10 10 HIS N N 122.406 0.300 1 107 11 11 LYS H H 8.363 0.030 1 108 11 11 LYS HA H 4.260 0.030 1 109 11 11 LYS HB2 H 1.793 0.030 2 110 11 11 LYS HB3 H 1.726 0.030 2 111 11 11 LYS HG2 H 1.370 0.030 1 112 11 11 LYS HG3 H 1.370 0.030 1 113 11 11 LYS HD2 H 1.671 0.030 1 114 11 11 LYS HD3 H 1.671 0.030 1 115 11 11 LYS HE2 H 2.975 0.030 1 116 11 11 LYS HE3 H 2.975 0.030 1 117 11 11 LYS C C 176.230 0.300 1 118 11 11 LYS CA C 56.687 0.300 1 119 11 11 LYS CB C 33.112 0.300 1 120 11 11 LYS CG C 24.591 0.300 1 121 11 11 LYS CD C 29.066 0.300 1 122 11 11 LYS CE C 42.173 0.300 1 123 11 11 LYS N N 123.939 0.300 1 124 12 12 GLU H H 8.546 0.030 1 125 12 12 GLU HA H 4.282 0.030 1 126 12 12 GLU HB2 H 2.010 0.030 2 127 12 12 GLU HB3 H 1.918 0.030 2 128 12 12 GLU HG2 H 2.268 0.030 1 129 12 12 GLU HG3 H 2.268 0.030 1 130 12 12 GLU C C 176.205 0.300 1 131 12 12 GLU CA C 56.336 0.300 1 132 12 12 GLU CB C 30.009 0.300 1 133 12 12 GLU CG C 35.647 0.300 1 134 12 12 GLU N N 122.576 0.300 1 135 13 13 GLU H H 8.434 0.030 1 136 13 13 GLU HA H 4.265 0.030 1 137 13 13 GLU HB2 H 1.953 0.030 2 138 13 13 GLU HB3 H 1.886 0.030 2 139 13 13 GLU HG2 H 2.213 0.030 1 140 13 13 GLU HG3 H 2.213 0.030 1 141 13 13 GLU C C 176.254 0.300 1 142 13 13 GLU CA C 56.406 0.300 1 143 13 13 GLU CB C 30.336 0.300 1 144 13 13 GLU CG C 35.653 0.300 1 145 13 13 GLU N N 122.803 0.300 1 146 14 14 HIS H H 8.572 0.030 1 147 14 14 HIS HA H 4.697 0.030 1 148 14 14 HIS HB2 H 3.270 0.030 2 149 14 14 HIS HB3 H 3.164 0.030 2 150 14 14 HIS HD2 H 7.292 0.030 1 151 14 14 HIS HE1 H 8.598 0.030 1 152 14 14 HIS C C 174.165 0.300 1 153 14 14 HIS CA C 55.071 0.300 1 154 14 14 HIS CB C 29.035 0.300 1 155 14 14 HIS CD2 C 120.151 0.300 1 156 14 14 HIS CE1 C 136.429 0.300 1 157 14 14 HIS N N 119.362 0.300 1 158 15 15 ALA H H 8.363 0.030 1 159 15 15 ALA HA H 4.257 0.030 1 160 15 15 ALA HB H 1.340 0.030 1 161 15 15 ALA C C 177.590 0.300 1 162 15 15 ALA CA C 52.724 0.300 1 163 15 15 ALA CB C 19.304 0.300 1 164 15 15 ALA N N 124.613 0.300 1 165 16 16 HIS H H 8.543 0.030 1 166 16 16 HIS HA H 4.685 0.030 1 167 16 16 HIS HB2 H 3.270 0.030 2 168 16 16 HIS HB3 H 3.163 0.030 2 169 16 16 HIS HD2 H 7.292 0.030 1 170 16 16 HIS HE1 H 8.598 0.030 1 171 16 16 HIS C C 174.165 0.300 1 172 16 16 HIS CA C 55.036 0.300 1 173 16 16 HIS CB C 29.020 0.300 1 174 16 16 HIS CD2 C 120.151 0.300 1 175 16 16 HIS CE1 C 136.429 0.300 1 176 16 16 HIS N N 117.755 0.300 1 177 17 17 ALA H H 8.312 0.030 1 178 17 17 ALA HA H 4.259 0.030 1 179 17 17 ALA HB H 1.331 0.030 1 180 17 17 ALA C C 177.541 0.300 1 181 17 17 ALA CA C 52.784 0.300 1 182 17 17 ALA CB C 19.221 0.300 1 183 17 17 ALA N N 124.844 0.300 1 184 18 18 HIS H H 8.613 0.030 1 185 18 18 HIS HA H 4.697 0.030 1 186 18 18 HIS HB2 H 3.265 0.030 2 187 18 18 HIS HB3 H 3.163 0.030 2 188 18 18 HIS HD2 H 7.262 0.030 1 189 18 18 HIS HE1 H 8.598 0.030 1 190 18 18 HIS C C 174.165 0.300 1 191 18 18 HIS CA C 55.211 0.300 1 192 18 18 HIS CB C 29.035 0.300 1 193 18 18 HIS CD2 C 120.151 0.300 1 194 18 18 HIS CE1 C 136.429 0.300 1 195 18 18 HIS N N 117.939 0.300 1 196 19 19 ASN H H 8.478 0.030 1 197 19 19 ASN HA H 4.663 0.030 1 198 19 19 ASN HB2 H 2.820 0.030 2 199 19 19 ASN HB3 H 2.787 0.030 2 200 19 19 ASN HD21 H 7.611 0.030 2 201 19 19 ASN HD22 H 6.950 0.030 2 202 19 19 ASN C C 175.282 0.300 1 203 19 19 ASN CA C 53.341 0.300 1 204 19 19 ASN CB C 38.872 0.300 1 205 19 19 ASN N N 120.402 0.300 1 206 19 19 ASN ND2 N 112.864 0.300 1 207 20 20 LYS H H 8.398 0.030 1 208 20 20 LYS HA H 4.273 0.030 1 209 20 20 LYS HB2 H 1.767 0.030 2 210 20 20 LYS HB3 H 1.724 0.030 2 211 20 20 LYS HG2 H 1.371 0.030 1 212 20 20 LYS HG3 H 1.371 0.030 1 213 20 20 LYS HD2 H 1.661 0.030 1 214 20 20 LYS HD3 H 1.661 0.030 1 215 20 20 LYS HE2 H 2.988 0.030 1 216 20 20 LYS HE3 H 2.988 0.030 1 217 20 20 LYS C C 176.181 0.300 1 218 20 20 LYS CA C 56.479 0.300 1 219 20 20 LYS CB C 32.783 0.300 1 220 20 20 LYS CG C 24.550 0.300 1 221 20 20 LYS CD C 29.066 0.300 1 222 20 20 LYS CE C 42.173 0.300 1 223 20 20 LYS N N 121.607 0.300 1 224 21 21 ASP H H 8.270 0.030 1 225 21 21 ASP HA H 4.538 0.030 1 226 21 21 ASP HB2 H 2.646 0.030 2 227 21 21 ASP HB3 H 2.561 0.030 2 228 21 21 ASP C C 175.841 0.300 1 229 21 21 ASP CA C 54.561 0.300 1 230 21 21 ASP CB C 40.643 0.300 1 231 21 21 ASP N N 120.567 0.300 1 232 22 22 TYR H H 7.923 0.030 1 233 22 22 TYR HA H 4.528 0.030 1 234 22 22 TYR HB2 H 3.082 0.030 2 235 22 22 TYR HB3 H 2.914 0.030 2 236 22 22 TYR HD1 H 7.083 0.030 1 237 22 22 TYR HD2 H 7.083 0.030 1 238 22 22 TYR HE1 H 6.780 0.030 1 239 22 22 TYR HE2 H 6.780 0.030 1 240 22 22 TYR C C 175.282 0.300 1 241 22 22 TYR CA C 57.741 0.300 1 242 22 22 TYR CB C 38.807 0.300 1 243 22 22 TYR CD1 C 133.197 0.300 1 244 22 22 TYR CD2 C 133.197 0.300 1 245 22 22 TYR CE1 C 118.093 0.300 1 246 22 22 TYR CE2 C 118.093 0.300 1 247 22 22 TYR N N 119.234 0.300 1 248 23 23 ASP H H 8.196 0.030 1 249 23 23 ASP HA H 4.630 0.030 1 250 23 23 ASP HB2 H 2.685 0.030 2 251 23 23 ASP HB3 H 2.582 0.030 2 252 23 23 ASP C C 175.310 0.300 1 253 23 23 ASP CA C 53.878 0.300 1 254 23 23 ASP CB C 40.785 0.300 1 255 23 23 ASP N N 121.651 0.300 1 256 24 24 ILE H H 7.965 0.030 1 257 24 24 ILE HA H 4.427 0.030 1 258 24 24 ILE HB H 1.870 0.030 1 259 24 24 ILE HG12 H 1.518 0.030 2 260 24 24 ILE HG13 H 1.158 0.030 2 261 24 24 ILE HG2 H 0.960 0.030 1 262 24 24 ILE HD1 H 0.865 0.030 1 263 24 24 ILE C C 174.626 0.300 1 264 24 24 ILE CA C 58.827 0.300 1 265 24 24 ILE CB C 38.666 0.300 1 266 24 24 ILE CG1 C 27.069 0.300 1 267 24 24 ILE CG2 C 17.297 0.300 1 268 24 24 ILE CD1 C 12.912 0.300 1 269 24 24 ILE N N 122.306 0.300 1 270 25 25 PRO HA H 4.540 0.030 1 271 25 25 PRO HB2 H 2.346 0.030 2 272 25 25 PRO HB3 H 1.960 0.030 2 273 25 25 PRO HG2 H 2.064 0.030 2 274 25 25 PRO HG3 H 2.022 0.030 2 275 25 25 PRO HD2 H 3.708 0.030 2 276 25 25 PRO HD3 H 3.914 0.030 2 277 25 25 PRO C C 177.221 0.300 1 278 25 25 PRO CA C 63.357 0.300 1 279 25 25 PRO CB C 32.293 0.300 1 280 25 25 PRO CG C 27.500 0.300 1 281 25 25 PRO CD C 51.158 0.300 1 282 26 26 THR H H 8.314 0.030 1 283 26 26 THR HA H 4.425 0.030 1 284 26 26 THR HB H 4.299 0.030 1 285 26 26 THR HG2 H 1.261 0.030 1 286 26 26 THR C C 174.918 0.300 1 287 26 26 THR CA C 61.909 0.300 1 288 26 26 THR CB C 69.857 0.300 1 289 26 26 THR CG2 C 21.760 0.300 1 290 26 26 THR N N 114.396 0.300 1 291 27 27 THR H H 8.076 0.030 1 292 27 27 THR HA H 4.417 0.030 1 293 27 27 THR HB H 4.288 0.030 1 294 27 27 THR HG2 H 1.240 0.030 1 295 27 27 THR C C 174.019 0.300 1 296 27 27 THR CA C 61.654 0.300 1 297 27 27 THR CB C 69.877 0.300 1 298 27 27 THR CG2 C 21.812 0.300 1 299 27 27 THR N N 115.175 0.300 1 300 28 28 GLU H H 8.499 0.030 1 301 28 28 GLU HA H 4.409 0.030 1 302 28 28 GLU HB2 H 2.083 0.030 2 303 28 28 GLU HB3 H 1.939 0.030 2 304 28 28 GLU HG2 H 2.339 0.030 2 305 28 28 GLU HG3 H 2.245 0.030 2 306 28 28 GLU C C 174.821 0.300 1 307 28 28 GLU CA C 56.754 0.300 1 308 28 28 GLU CB C 30.741 0.300 1 309 28 28 GLU CG C 35.660 0.300 1 310 28 28 GLU N N 122.940 0.300 1 311 29 29 ASN H H 8.253 0.030 1 312 29 29 ASN HA H 5.646 0.030 1 313 29 29 ASN HB2 H 2.725 0.030 2 314 29 29 ASN HB3 H 2.290 0.030 2 315 29 29 ASN HD21 H 7.444 0.030 2 316 29 29 ASN HD22 H 6.972 0.030 2 317 29 29 ASN C C 174.505 0.300 1 318 29 29 ASN CA C 52.597 0.300 1 319 29 29 ASN CB C 42.457 0.300 1 320 29 29 ASN N N 119.205 0.300 1 321 29 29 ASN ND2 N 113.225 0.300 1 322 30 30 LEU H H 9.175 0.030 1 323 30 30 LEU HA H 4.784 0.030 1 324 30 30 LEU HB2 H 1.696 0.030 2 325 30 30 LEU HB3 H 1.259 0.030 2 326 30 30 LEU HG H 0.504 0.030 1 327 30 30 LEU HD1 H 0.816 0.030 1 328 30 30 LEU HD2 H 0.816 0.030 1 329 30 30 LEU C C 175.136 0.300 1 330 30 30 LEU CA C 53.806 0.300 1 331 30 30 LEU CB C 46.801 0.300 1 332 30 30 LEU CG C 26.314 0.300 1 333 30 30 LEU CD1 C 23.378 0.300 1 334 30 30 LEU CD2 C 23.378 0.300 1 335 30 30 LEU N N 121.051 0.300 1 336 31 31 TYR H H 8.793 0.030 1 337 31 31 TYR HA H 5.371 0.030 1 338 31 31 TYR HB2 H 2.861 0.030 1 339 31 31 TYR HB3 H 2.861 0.030 1 340 31 31 TYR HD1 H 6.974 0.030 1 341 31 31 TYR HD2 H 6.974 0.030 1 342 31 31 TYR HE1 H 6.740 0.030 1 343 31 31 TYR HE2 H 6.740 0.030 1 344 31 31 TYR C C 174.383 0.300 1 345 31 31 TYR CA C 57.635 0.300 1 346 31 31 TYR CB C 40.446 0.300 1 347 31 31 TYR CD1 C 133.010 0.300 1 348 31 31 TYR CD2 C 133.010 0.300 1 349 31 31 TYR CE1 C 117.907 0.300 1 350 31 31 TYR CE2 C 117.907 0.300 1 351 31 31 TYR N N 121.876 0.300 1 352 32 32 PHE H H 8.952 0.030 1 353 32 32 PHE HA H 5.155 0.030 1 354 32 32 PHE HB2 H 3.001 0.030 2 355 32 32 PHE HB3 H 2.747 0.030 2 356 32 32 PHE HD1 H 6.901 0.030 1 357 32 32 PHE HD2 H 6.901 0.030 1 358 32 32 PHE HE1 H 6.609 0.030 1 359 32 32 PHE HE2 H 6.609 0.030 1 360 32 32 PHE HZ H 6.660 0.030 1 361 32 32 PHE C C 174.481 0.300 1 362 32 32 PHE CA C 56.054 0.300 1 363 32 32 PHE CB C 44.561 0.300 1 364 32 32 PHE CD1 C 132.050 0.300 1 365 32 32 PHE CD2 C 132.050 0.300 1 366 32 32 PHE CE1 C 131.320 0.300 1 367 32 32 PHE CE2 C 131.320 0.300 1 368 32 32 PHE CZ C 128.540 0.300 1 369 32 32 PHE N N 121.897 0.300 1 370 33 33 GLN H H 9.168 0.030 1 371 33 33 GLN HA H 5.037 0.030 1 372 33 33 GLN HB2 H 2.125 0.030 2 373 33 33 GLN HB3 H 2.069 0.030 2 374 33 33 GLN HG2 H 2.377 0.030 2 375 33 33 GLN HG3 H 2.331 0.030 2 376 33 33 GLN HE21 H 7.441 0.030 2 377 33 33 GLN HE22 H 6.729 0.030 2 378 33 33 GLN C C 175.234 0.300 1 379 33 33 GLN CA C 55.351 0.300 1 380 33 33 GLN CB C 32.235 0.300 1 381 33 33 GLN CG C 33.858 0.300 1 382 33 33 GLN N N 119.418 0.300 1 383 33 33 GLN NE2 N 111.761 0.300 1 384 34 34 GLY H H 8.840 0.030 1 385 34 34 GLY HA2 H 4.445 0.030 2 386 34 34 GLY HA3 H 4.101 0.030 2 387 34 34 GLY C C 172.562 0.300 1 388 34 34 GLY CA C 45.269 0.300 1 389 34 34 GLY N N 110.974 0.300 1 390 35 35 SER H H 8.359 0.030 1 391 35 35 SER HA H 4.756 0.030 1 392 35 35 SER HB2 H 3.970 0.030 2 393 35 35 SER HB3 H 3.906 0.030 2 394 35 35 SER C C 174.505 0.300 1 395 35 35 SER CA C 57.881 0.300 1 396 35 35 SER CB C 64.548 0.300 1 397 35 35 SER N N 114.541 0.300 1 398 36 36 SER H H 8.404 0.030 1 399 36 36 SER HA H 4.588 0.030 1 400 36 36 SER HB2 H 3.928 0.030 2 401 36 36 SER HB3 H 3.834 0.030 2 402 36 36 SER C C 174.673 0.300 1 403 36 36 SER CA C 58.327 0.300 1 404 36 36 SER CB C 64.086 0.300 1 405 37 37 GLY H H 8.397 0.030 1 406 37 37 GLY HA2 H 4.170 0.030 2 407 37 37 GLY HA3 H 3.997 0.030 2 408 37 37 GLY C C 174.286 0.300 1 409 37 37 GLY CA C 45.216 0.300 1 410 37 37 GLY N N 110.379 0.300 1 411 38 38 SER H H 8.652 0.030 1 412 38 38 SER HA H 4.575 0.030 1 413 38 38 SER HB2 H 4.178 0.030 2 414 38 38 SER HB3 H 4.004 0.030 2 415 38 38 SER C C 175.841 0.300 1 416 38 38 SER CA C 57.846 0.300 1 417 38 38 SER CB C 64.612 0.300 1 418 38 38 SER N N 116.151 0.300 1 419 39 39 SER H H 8.934 0.030 1 420 39 39 SER HA H 4.161 0.030 1 421 39 39 SER HB2 H 3.635 0.030 2 422 39 39 SER HB3 H 3.506 0.030 2 423 39 39 SER C C 176.241 0.300 1 424 39 39 SER CA C 61.114 0.300 1 425 39 39 SER CB C 62.897 0.300 1 426 39 39 SER N N 119.631 0.300 1 427 40 40 GLY H H 8.472 0.030 1 428 40 40 GLY HA2 H 4.035 0.030 2 429 40 40 GLY HA3 H 3.958 0.030 2 430 40 40 GLY C C 176.084 0.300 1 431 40 40 GLY CA C 46.744 0.300 1 432 40 40 GLY N N 109.891 0.300 1 433 41 41 ASP H H 7.980 0.030 1 434 41 41 ASP HA H 4.555 0.030 1 435 41 41 ASP HB2 H 2.808 0.030 1 436 41 41 ASP HB3 H 2.808 0.030 1 437 41 41 ASP C C 177.881 0.300 1 438 41 41 ASP CA C 56.160 0.300 1 439 41 41 ASP CB C 40.507 0.300 1 440 41 41 ASP N N 123.016 0.300 1 441 42 42 MET H H 8.183 0.030 1 442 42 42 MET HA H 4.347 0.030 1 443 42 42 MET HB2 H 2.171 0.030 2 444 42 42 MET HB3 H 2.118 0.030 2 445 42 42 MET HG2 H 2.542 0.030 2 446 42 42 MET HG3 H 2.473 0.030 2 447 42 42 MET HE H 2.012 0.030 1 448 42 42 MET C C 178.343 0.300 1 449 42 42 MET CA C 57.776 0.300 1 450 42 42 MET CB C 32.255 0.300 1 451 42 42 MET CG C 32.419 0.300 1 452 42 42 MET CE C 17.867 0.300 1 453 42 42 MET N N 121.335 0.300 1 454 43 43 MET H H 8.247 0.030 1 455 43 43 MET HA H 4.388 0.030 1 456 43 43 MET HB2 H 2.368 0.030 2 457 43 43 MET HB3 H 2.105 0.030 2 458 43 43 MET HG2 H 2.960 0.030 2 459 43 43 MET HG3 H 2.830 0.030 2 460 43 43 MET HE H 1.961 0.030 1 461 43 43 MET C C 178.246 0.300 1 462 43 43 MET CA C 57.073 0.300 1 463 43 43 MET CB C 30.069 0.300 1 464 43 43 MET CG C 32.528 0.300 1 465 43 43 MET CE C 15.690 0.300 1 466 43 43 MET N N 116.933 0.300 1 467 44 44 ARG H H 7.699 0.030 1 468 44 44 ARG HA H 3.944 0.030 1 469 44 44 ARG HB2 H 2.067 0.030 2 470 44 44 ARG HB3 H 1.984 0.030 2 471 44 44 ARG HG2 H 1.826 0.030 2 472 44 44 ARG HG3 H 1.550 0.030 2 473 44 44 ARG HD2 H 3.293 0.030 1 474 44 44 ARG HD3 H 3.293 0.030 1 475 44 44 ARG HE H 7.341 0.030 1 476 44 44 ARG C C 179.411 0.300 1 477 44 44 ARG CA C 59.938 0.300 1 478 44 44 ARG CB C 30.059 0.300 1 479 44 44 ARG CG C 27.798 0.300 1 480 44 44 ARG CD C 43.447 0.300 1 481 44 44 ARG N N 119.557 0.300 1 482 44 44 ARG NE N 109.310 0.300 1 483 45 45 GLU H H 7.953 0.030 1 484 45 45 GLU HA H 4.077 0.030 1 485 45 45 GLU HB2 H 2.147 0.030 2 486 45 45 GLU HB3 H 2.120 0.030 2 487 45 45 GLU HG2 H 2.462 0.030 1 488 45 45 GLU HG3 H 2.462 0.030 1 489 45 45 GLU C C 178.901 0.300 1 490 45 45 GLU CA C 59.011 0.300 1 491 45 45 GLU CB C 28.664 0.300 1 492 45 45 GLU CG C 34.849 0.300 1 493 45 45 GLU N N 120.046 0.300 1 494 46 46 ILE H H 8.782 0.030 1 495 46 46 ILE HA H 3.421 0.030 1 496 46 46 ILE HB H 1.889 0.030 1 497 46 46 ILE HG12 H 1.916 0.030 2 498 46 46 ILE HG13 H 0.669 0.030 2 499 46 46 ILE HG2 H 0.570 0.030 1 500 46 46 ILE HD1 H 0.664 0.030 1 501 46 46 ILE C C 177.444 0.300 1 502 46 46 ILE CA C 66.489 0.300 1 503 46 46 ILE CB C 37.840 0.300 1 504 46 46 ILE CG1 C 30.582 0.300 1 505 46 46 ILE CG2 C 19.204 0.300 1 506 46 46 ILE CD1 C 14.824 0.300 1 507 46 46 ILE N N 119.752 0.300 1 508 47 47 ARG H H 8.059 0.030 1 509 47 47 ARG HA H 3.335 0.030 1 510 47 47 ARG HB2 H 1.846 0.030 1 511 47 47 ARG HB3 H 1.846 0.030 1 512 47 47 ARG HG2 H 1.834 0.030 2 513 47 47 ARG HG3 H 0.908 0.030 2 514 47 47 ARG HD2 H 3.322 0.030 2 515 47 47 ARG HD3 H 3.276 0.030 2 516 47 47 ARG HE H 7.402 0.030 1 517 47 47 ARG C C 179.290 0.300 1 518 47 47 ARG CA C 61.219 0.300 1 519 47 47 ARG CB C 30.304 0.300 1 520 47 47 ARG CG C 29.098 0.300 1 521 47 47 ARG CD C 43.607 0.300 1 522 47 47 ARG N N 117.548 0.300 1 523 47 47 ARG NE N 109.337 0.300 1 524 48 48 LYS H H 7.587 0.030 1 525 48 48 LYS HA H 4.090 0.030 1 526 48 48 LYS HB2 H 2.085 0.030 2 527 48 48 LYS HB3 H 1.981 0.030 2 528 48 48 LYS HG2 H 1.618 0.030 2 529 48 48 LYS HG3 H 1.390 0.030 2 530 48 48 LYS HD2 H 1.735 0.030 1 531 48 48 LYS HD3 H 1.735 0.030 1 532 48 48 LYS HE2 H 2.976 0.030 1 533 48 48 LYS HE3 H 2.976 0.030 1 534 48 48 LYS C C 179.436 0.300 1 535 48 48 LYS CA C 59.814 0.300 1 536 48 48 LYS CB C 32.391 0.300 1 537 48 48 LYS CG C 24.646 0.300 1 538 48 48 LYS CD C 29.477 0.300 1 539 48 48 LYS CE C 42.008 0.300 1 540 48 48 LYS N N 120.211 0.300 1 541 49 49 VAL H H 8.233 0.030 1 542 49 49 VAL HA H 3.817 0.030 1 543 49 49 VAL HB H 2.049 0.030 1 544 49 49 VAL HG1 H 1.050 0.030 1 545 49 49 VAL HG2 H 1.034 0.030 1 546 49 49 VAL C C 179.557 0.300 1 547 49 49 VAL CA C 66.419 0.300 1 548 49 49 VAL CB C 32.147 0.300 1 549 49 49 VAL CG1 C 23.699 0.300 2 550 49 49 VAL CG2 C 23.059 0.300 2 551 49 49 VAL N N 121.388 0.300 1 552 50 50 LEU H H 9.090 0.030 1 553 50 50 LEU HA H 4.095 0.030 1 554 50 50 LEU HB2 H 1.860 0.030 2 555 50 50 LEU HB3 H 1.356 0.030 2 556 50 50 LEU HG H 1.844 0.030 1 557 50 50 LEU HD1 H 0.452 0.030 1 558 50 50 LEU HD2 H 1.043 0.030 1 559 50 50 LEU C C 180.480 0.300 1 560 50 50 LEU CA C 58.775 0.300 1 561 50 50 LEU CB C 41.520 0.300 1 562 50 50 LEU CG C 27.075 0.300 1 563 50 50 LEU CD1 C 28.257 0.300 2 564 50 50 LEU CD2 C 23.379 0.300 2 565 50 50 LEU N N 122.673 0.300 1 566 51 51 GLY H H 8.203 0.030 1 567 51 51 GLY HA2 H 4.219 0.030 1 568 51 51 GLY HA3 H 4.219 0.030 1 569 51 51 GLY C C 177.590 0.300 1 570 51 51 GLY CA C 47.640 0.300 1 571 51 51 GLY N N 106.536 0.300 1 572 52 52 ALA H H 8.151 0.030 1 573 52 52 ALA HA H 4.359 0.030 1 574 52 52 ALA HB H 1.577 0.030 1 575 52 52 ALA C C 178.318 0.300 1 576 52 52 ALA CA C 54.157 0.300 1 577 52 52 ALA CB C 18.622 0.300 1 578 52 52 ALA N N 124.217 0.300 1 579 53 53 ASN H H 7.526 0.030 1 580 53 53 ASN HA H 4.842 0.030 1 581 53 53 ASN HB2 H 2.898 0.030 2 582 53 53 ASN HB3 H 2.563 0.030 2 583 53 53 ASN HD21 H 7.878 0.030 2 584 53 53 ASN HD22 H 7.809 0.030 2 585 53 53 ASN C C 173.339 0.300 1 586 53 53 ASN CA C 53.947 0.300 1 587 53 53 ASN CB C 40.726 0.300 1 588 53 53 ASN N N 114.796 0.300 1 589 53 53 ASN ND2 N 116.419 0.300 1 590 54 54 ASN H H 8.228 0.030 1 591 54 54 ASN HA H 4.628 0.030 1 592 54 54 ASN HB2 H 3.270 0.030 2 593 54 54 ASN HB3 H 3.045 0.030 2 594 54 54 ASN HD21 H 7.697 0.030 2 595 54 54 ASN HD22 H 6.928 0.030 2 596 54 54 ASN C C 174.942 0.300 1 597 54 54 ASN CA C 55.021 0.300 1 598 54 54 ASN CB C 37.228 0.300 1 599 54 54 ASN N N 114.319 0.300 1 600 54 54 ASN ND2 N 112.564 0.300 1 601 55 55 CYS H H 8.276 0.030 1 602 55 55 CYS HA H 5.326 0.030 1 603 55 55 CYS HB2 H 3.082 0.030 2 604 55 55 CYS HB3 H 2.686 0.030 2 605 55 55 CYS C C 174.651 0.300 1 606 55 55 CYS CA C 58.131 0.300 1 607 55 55 CYS CB C 29.513 0.300 1 608 55 55 CYS N N 114.944 0.300 1 609 56 56 ASP H H 8.507 0.030 1 610 56 56 ASP HA H 4.878 0.030 1 611 56 56 ASP HB2 H 2.662 0.030 2 612 56 56 ASP HB3 H 2.501 0.030 2 613 56 56 ASP C C 174.796 0.300 1 614 56 56 ASP CA C 53.455 0.300 1 615 56 56 ASP CB C 42.151 0.300 1 616 56 56 ASP N N 124.045 0.300 1 617 57 57 TYR H H 8.008 0.030 1 618 57 57 TYR HA H 5.804 0.030 1 619 57 57 TYR HB2 H 2.847 0.030 2 620 57 57 TYR HB3 H 2.665 0.030 2 621 57 57 TYR HD1 H 6.702 0.030 1 622 57 57 TYR HD2 H 6.702 0.030 1 623 57 57 TYR HE1 H 6.774 0.030 1 624 57 57 TYR HE2 H 6.774 0.030 1 625 57 57 TYR C C 173.898 0.300 1 626 57 57 TYR CA C 55.703 0.300 1 627 57 57 TYR CB C 41.961 0.300 1 628 57 57 TYR CD1 C 134.112 0.300 1 629 57 57 TYR CD2 C 134.112 0.300 1 630 57 57 TYR CE1 C 117.538 0.300 1 631 57 57 TYR CE2 C 117.538 0.300 1 632 57 57 TYR N N 115.660 0.300 1 633 58 58 GLU H H 9.162 0.030 1 634 58 58 GLU HA H 4.605 0.030 1 635 58 58 GLU HB2 H 2.088 0.030 2 636 58 58 GLU HB3 H 1.966 0.030 2 637 58 58 GLU HG2 H 2.306 0.030 2 638 58 58 GLU HG3 H 2.194 0.030 2 639 58 58 GLU C C 175.331 0.300 1 640 58 58 GLU CA C 54.298 0.300 1 641 58 58 GLU CB C 33.389 0.300 1 642 58 58 GLU CG C 35.314 0.300 1 643 58 58 GLU N N 118.581 0.300 1 644 59 59 GLN H H 9.430 0.030 1 645 59 59 GLN HA H 4.697 0.030 1 646 59 59 GLN HB2 H 2.174 0.030 2 647 59 59 GLN HB3 H 1.910 0.030 2 648 59 59 GLN HG2 H 2.342 0.030 2 649 59 59 GLN HG3 H 2.265 0.030 2 650 59 59 GLN HE21 H 7.330 0.030 2 651 59 59 GLN HE22 H 6.390 0.030 2 652 59 59 GLN C C 175.282 0.300 1 653 59 59 GLN CA C 56.195 0.300 1 654 59 59 GLN CB C 28.196 0.300 1 655 59 59 GLN CG C 33.764 0.300 1 656 59 59 GLN N N 127.563 0.300 1 657 59 59 GLN NE2 N 111.380 0.300 1 658 60 60 ARG H H 8.349 0.030 1 659 60 60 ARG HA H 4.423 0.030 1 660 60 60 ARG HB2 H 1.972 0.030 2 661 60 60 ARG HB3 H 1.574 0.030 2 662 60 60 ARG HG2 H 1.642 0.030 2 663 60 60 ARG HG3 H 1.570 0.030 2 664 60 60 ARG HD2 H 3.095 0.030 2 665 60 60 ARG HD3 H 3.013 0.030 2 666 60 60 ARG HE H 7.200 0.030 1 667 60 60 ARG C C 175.914 0.300 1 668 60 60 ARG CA C 56.823 0.300 1 669 60 60 ARG CB C 32.106 0.300 1 670 60 60 ARG CG C 27.347 0.300 1 671 60 60 ARG CD C 42.832 0.300 1 672 60 60 ARG N N 127.939 0.300 1 673 60 60 ARG NE N 108.295 0.300 1 674 61 61 GLU H H 8.315 0.030 1 675 61 61 GLU HA H 4.528 0.030 1 676 61 61 GLU HB2 H 2.392 0.030 2 677 61 61 GLU HB3 H 1.864 0.030 2 678 61 61 GLU HG2 H 2.470 0.030 2 679 61 61 GLU HG3 H 2.303 0.030 2 680 61 61 GLU C C 176.230 0.300 1 681 61 61 GLU CA C 54.378 0.300 1 682 61 61 GLU CB C 33.389 0.300 1 683 61 61 GLU CG C 35.668 0.300 1 684 61 61 GLU N N 115.992 0.300 1 685 62 62 ARG H H 8.813 0.030 1 686 62 62 ARG HA H 3.667 0.030 1 687 62 62 ARG HB2 H 1.577 0.030 2 688 62 62 ARG HB3 H 1.218 0.030 2 689 62 62 ARG HG2 H 1.194 0.030 2 690 62 62 ARG HG3 H 0.721 0.030 2 691 62 62 ARG HD2 H 2.956 0.030 1 692 62 62 ARG HD3 H 2.956 0.030 1 693 62 62 ARG HE H 7.025 0.030 1 694 62 62 ARG C C 176.327 0.300 1 695 62 62 ARG CA C 60.207 0.300 1 696 62 62 ARG CB C 30.174 0.300 1 697 62 62 ARG CG C 26.594 0.300 1 698 62 62 ARG CD C 43.574 0.300 1 699 62 62 ARG N N 120.821 0.300 1 700 62 62 ARG NE N 110.009 0.300 1 701 63 63 PHE H H 8.032 0.030 1 702 63 63 PHE HA H 5.306 0.030 1 703 63 63 PHE HB2 H 4.007 0.030 2 704 63 63 PHE HB3 H 2.992 0.030 2 705 63 63 PHE HD1 H 7.310 0.030 1 706 63 63 PHE HD2 H 7.310 0.030 1 707 63 63 PHE HE1 H 7.254 0.030 1 708 63 63 PHE HE2 H 7.254 0.030 1 709 63 63 PHE HZ H 7.264 0.030 1 710 63 63 PHE C C 173.728 0.300 1 711 63 63 PHE CA C 55.743 0.300 1 712 63 63 PHE CB C 39.632 0.300 1 713 63 63 PHE CD1 C 131.879 0.300 1 714 63 63 PHE CD2 C 131.879 0.300 1 715 63 63 PHE CE1 C 131.122 0.300 1 716 63 63 PHE CE2 C 131.122 0.300 1 717 63 63 PHE CZ C 129.311 0.300 1 718 63 63 PHE N N 111.826 0.300 1 719 64 64 LEU H H 7.154 0.030 1 720 64 64 LEU HA H 5.433 0.030 1 721 64 64 LEU HB2 H 1.622 0.030 2 722 64 64 LEU HB3 H 1.430 0.030 2 723 64 64 LEU HG H 1.396 0.030 1 724 64 64 LEU HD1 H 0.879 0.030 1 725 64 64 LEU HD2 H 0.829 0.030 1 726 64 64 LEU C C 175.136 0.300 1 727 64 64 LEU CA C 54.825 0.300 1 728 64 64 LEU CB C 47.259 0.300 1 729 64 64 LEU CG C 28.114 0.300 1 730 64 64 LEU CD1 C 24.676 0.300 2 731 64 64 LEU CD2 C 25.601 0.300 2 732 64 64 LEU N N 119.471 0.300 1 733 65 65 LEU H H 9.132 0.030 1 734 65 65 LEU HA H 5.231 0.030 1 735 65 65 LEU HB2 H 1.364 0.030 2 736 65 65 LEU HB3 H 1.265 0.030 2 737 65 65 LEU HG H 1.425 0.030 1 738 65 65 LEU HD1 H 0.538 0.030 1 739 65 65 LEU HD2 H 0.690 0.030 1 740 65 65 LEU C C 175.039 0.300 1 741 65 65 LEU CA C 53.180 0.300 1 742 65 65 LEU CB C 45.950 0.300 1 743 65 65 LEU CG C 27.187 0.300 1 744 65 65 LEU CD1 C 26.882 0.300 2 745 65 65 LEU CD2 C 24.285 0.300 2 746 65 65 LEU N N 125.111 0.300 1 747 66 66 PHE H H 9.029 0.030 1 748 66 66 PHE HA H 4.867 0.030 1 749 66 66 PHE HB2 H 3.014 0.030 2 750 66 66 PHE HB3 H 2.880 0.030 2 751 66 66 PHE HD1 H 7.058 0.030 1 752 66 66 PHE HD2 H 7.058 0.030 1 753 66 66 PHE HE1 H 7.159 0.030 1 754 66 66 PHE HE2 H 7.159 0.030 1 755 66 66 PHE HZ H 7.149 0.030 1 756 66 66 PHE C C 174.821 0.300 1 757 66 66 PHE CA C 57.530 0.300 1 758 66 66 PHE CB C 41.303 0.300 1 759 66 66 PHE CD1 C 131.228 0.300 1 760 66 66 PHE CD2 C 131.228 0.300 1 761 66 66 PHE CE1 C 131.228 0.300 1 762 66 66 PHE CE2 C 131.228 0.300 1 763 66 66 PHE CZ C 129.720 0.300 1 764 66 66 PHE N N 124.048 0.300 1 765 67 67 CYS H H 8.521 0.030 1 766 67 67 CYS HA H 4.859 0.030 1 767 67 67 CYS HB2 H 1.113 0.030 2 768 67 67 CYS HB3 H 0.134 0.030 2 769 67 67 CYS C C 172.003 0.300 1 770 67 67 CYS CA C 57.003 0.300 1 771 67 67 CYS CB C 30.069 0.300 1 772 67 67 CYS N N 124.755 0.300 1 773 68 68 VAL H H 8.408 0.030 1 774 68 68 VAL HA H 5.134 0.030 1 775 68 68 VAL HB H 1.931 0.030 1 776 68 68 VAL HG1 H 0.987 0.030 1 777 68 68 VAL HG2 H 0.928 0.030 1 778 68 68 VAL C C 174.505 0.300 1 779 68 68 VAL CA C 60.481 0.300 1 780 68 68 VAL CB C 35.932 0.300 1 781 68 68 VAL CG1 C 21.414 0.300 2 782 68 68 VAL CG2 C 21.903 0.300 2 783 68 68 VAL N N 118.885 0.300 1 784 69 69 HIS H H 9.060 0.030 1 785 69 69 HIS HA H 5.159 0.030 1 786 69 69 HIS HB2 H 4.011 0.030 2 787 69 69 HIS HB3 H 3.220 0.030 2 788 69 69 HIS HD2 H 7.832 0.030 1 789 69 69 HIS HE1 H 8.736 0.030 1 790 69 69 HIS C C 172.319 0.300 1 791 69 69 HIS CA C 56.792 0.300 1 792 69 69 HIS CB C 32.596 0.300 1 793 69 69 HIS CD2 C 122.217 0.300 1 794 69 69 HIS CE1 C 136.562 0.300 1 795 69 69 HIS N N 122.673 0.300 1 796 70 70 GLY H H 8.119 0.030 1 797 70 70 GLY HA2 H 4.101 0.030 1 798 70 70 GLY HA3 H 4.101 0.030 1 799 70 70 GLY C C 172.003 0.300 1 800 70 70 GLY CA C 44.777 0.300 1 801 70 70 GLY N N 112.725 0.300 1 802 71 71 ASP H H 8.635 0.030 1 803 71 71 ASP HA H 4.722 0.030 1 804 71 71 ASP HB2 H 3.010 0.030 2 805 71 71 ASP HB3 H 2.608 0.030 2 806 71 71 ASP C C 176.952 0.300 1 807 71 71 ASP CA C 53.072 0.300 1 808 71 71 ASP CB C 42.209 0.300 1 809 71 71 ASP N N 118.359 0.300 1 810 72 72 GLY H H 8.454 0.030 1 811 72 72 GLY HA2 H 4.122 0.030 2 812 72 72 GLY HA3 H 3.701 0.030 2 813 72 72 GLY C C 174.554 0.300 1 814 72 72 GLY CA C 45.444 0.300 1 815 72 72 GLY N N 109.062 0.300 1 816 73 73 HIS H H 8.554 0.030 1 817 73 73 HIS HA H 4.817 0.030 1 818 73 73 HIS HB2 H 3.408 0.030 2 819 73 73 HIS HB3 H 3.331 0.030 2 820 73 73 HIS HD2 H 7.274 0.030 1 821 73 73 HIS C C 175.744 0.300 1 822 73 73 HIS CA C 55.141 0.300 1 823 73 73 HIS CB C 28.159 0.300 1 824 73 73 HIS CD2 C 120.153 0.300 1 825 73 73 HIS N N 119.069 0.300 1 826 74 74 ALA H H 9.127 0.030 1 827 74 74 ALA HA H 4.167 0.030 1 828 74 74 ALA HB H 1.518 0.030 1 829 74 74 ALA C C 178.513 0.300 1 830 74 74 ALA CA C 55.036 0.300 1 831 74 74 ALA CB C 18.637 0.300 1 832 74 74 ALA N N 129.191 0.300 1 833 75 75 GLU H H 9.316 0.030 1 834 75 75 GLU HA H 4.345 0.030 1 835 75 75 GLU HB2 H 2.144 0.030 2 836 75 75 GLU HB3 H 2.086 0.030 2 837 75 75 GLU HG2 H 2.375 0.030 2 838 75 75 GLU HG3 H 2.307 0.030 2 839 75 75 GLU C C 177.104 0.300 1 840 75 75 GLU CA C 57.706 0.300 1 841 75 75 GLU CB C 28.596 0.300 1 842 75 75 GLU CG C 35.518 0.300 1 843 75 75 GLU N N 115.651 0.300 1 844 76 76 ASN H H 8.206 0.030 1 845 76 76 ASN HA H 4.869 0.030 1 846 76 76 ASN HB2 H 3.114 0.030 2 847 76 76 ASN HB3 H 2.995 0.030 2 848 76 76 ASN HD21 H 8.481 0.030 2 849 76 76 ASN HD22 H 6.869 0.030 2 850 76 76 ASN C C 174.084 0.300 1 851 76 76 ASN CA C 52.506 0.300 1 852 76 76 ASN CB C 38.665 0.300 1 853 76 76 ASN N N 118.974 0.300 1 854 76 76 ASN ND2 N 113.367 0.300 1 855 77 77 LEU H H 7.501 0.030 1 856 77 77 LEU HA H 4.876 0.030 1 857 77 77 LEU HB2 H 1.864 0.030 2 858 77 77 LEU HB3 H 1.523 0.030 2 859 77 77 LEU HG H 1.509 0.030 1 860 77 77 LEU HD1 H 0.866 0.030 1 861 77 77 LEU HD2 H 0.885 0.030 1 862 77 77 LEU C C 177.663 0.300 1 863 77 77 LEU CA C 56.265 0.300 1 864 77 77 LEU CB C 42.288 0.300 1 865 77 77 LEU CG C 27.367 0.300 1 866 77 77 LEU CD1 C 24.057 0.300 2 867 77 77 LEU CD2 C 25.405 0.300 2 868 77 77 LEU N N 123.028 0.300 1 869 78 78 VAL H H 9.344 0.030 1 870 78 78 VAL HA H 4.962 0.030 1 871 78 78 VAL HB H 2.275 0.030 1 872 78 78 VAL HG1 H 1.390 0.030 1 873 78 78 VAL HG2 H 1.224 0.030 1 874 78 78 VAL C C 173.825 0.300 1 875 78 78 VAL CA C 60.710 0.300 1 876 78 78 VAL CB C 35.697 0.300 1 877 78 78 VAL CG1 C 21.902 0.300 2 878 78 78 VAL CG2 C 22.458 0.300 2 879 78 78 VAL N N 128.992 0.300 1 880 79 79 GLN H H 8.557 0.030 1 881 79 79 GLN HA H 5.806 0.030 1 882 79 79 GLN HB2 H 2.116 0.030 2 883 79 79 GLN HB3 H 2.003 0.030 2 884 79 79 GLN HG2 H 2.339 0.030 2 885 79 79 GLN HG3 H 2.295 0.030 2 886 79 79 GLN HE21 H 7.261 0.030 2 887 79 79 GLN HE22 H 6.978 0.030 2 888 79 79 GLN C C 176.265 0.300 1 889 79 79 GLN CA C 53.848 0.300 1 890 79 79 GLN CB C 32.462 0.300 1 891 79 79 GLN CG C 34.506 0.300 1 892 79 79 GLN N N 122.485 0.300 1 893 79 79 GLN NE2 N 110.776 0.300 1 894 80 80 TRP H H 9.289 0.030 1 895 80 80 TRP HA H 5.428 0.030 1 896 80 80 TRP HB2 H 3.606 0.030 2 897 80 80 TRP HB3 H 3.500 0.030 2 898 80 80 TRP HD1 H 7.151 0.030 1 899 80 80 TRP HE1 H 8.751 0.030 1 900 80 80 TRP HE3 H 7.329 0.030 1 901 80 80 TRP HZ2 H 7.105 0.030 1 902 80 80 TRP HZ3 H 7.119 0.030 1 903 80 80 TRP HH2 H 7.235 0.030 1 904 80 80 TRP C C 171.566 0.300 1 905 80 80 TRP CA C 57.354 0.300 1 906 80 80 TRP CB C 33.373 0.300 1 907 80 80 TRP CD1 C 126.955 0.300 1 908 80 80 TRP CE3 C 122.980 0.300 1 909 80 80 TRP CZ2 C 113.176 0.300 1 910 80 80 TRP CZ3 C 122.070 0.300 1 911 80 80 TRP CH2 C 125.059 0.300 1 912 80 80 TRP N N 124.566 0.300 1 913 80 80 TRP NE1 N 125.943 0.300 1 914 81 81 GLU H H 9.345 0.030 1 915 81 81 GLU HA H 5.453 0.030 1 916 81 81 GLU HB2 H 2.006 0.030 1 917 81 81 GLU HB3 H 2.006 0.030 1 918 81 81 GLU HG2 H 2.314 0.030 1 919 81 81 GLU HG3 H 2.314 0.030 1 920 81 81 GLU C C 176.934 0.300 1 921 81 81 GLU CA C 53.390 0.300 1 922 81 81 GLU CB C 33.020 0.300 1 923 81 81 GLU CG C 36.015 0.300 1 924 81 81 GLU N N 118.190 0.300 1 925 82 82 MET H H 9.073 0.030 1 926 82 82 MET HA H 5.607 0.030 1 927 82 82 MET HB2 H 1.570 0.030 2 928 82 82 MET HB3 H 1.488 0.030 2 929 82 82 MET HG2 H 2.349 0.030 2 930 82 82 MET HG3 H 1.862 0.030 2 931 82 82 MET HE H 1.437 0.030 1 932 82 82 MET C C 173.388 0.300 1 933 82 82 MET CA C 54.368 0.300 1 934 82 82 MET CB C 36.984 0.300 1 935 82 82 MET CG C 32.124 0.300 1 936 82 82 MET CE C 17.517 0.300 1 937 82 82 MET N N 119.282 0.300 1 938 83 83 GLU H H 8.879 0.030 1 939 83 83 GLU HA H 5.666 0.030 1 940 83 83 GLU HB2 H 2.048 0.030 2 941 83 83 GLU HB3 H 1.885 0.030 2 942 83 83 GLU HG2 H 2.366 0.030 2 943 83 83 GLU HG3 H 2.181 0.030 2 944 83 83 GLU C C 175.744 0.300 1 945 83 83 GLU CA C 53.585 0.300 1 946 83 83 GLU CB C 34.528 0.300 1 947 83 83 GLU CG C 35.579 0.300 1 948 83 83 GLU N N 123.365 0.300 1 949 84 84 VAL H H 8.310 0.030 1 950 84 84 VAL HA H 4.769 0.030 1 951 84 84 VAL HB H 2.034 0.030 1 952 84 84 VAL HG1 H 0.880 0.030 1 953 84 84 VAL HG2 H 0.920 0.030 1 954 84 84 VAL C C 174.918 0.300 1 955 84 84 VAL CA C 62.343 0.300 1 956 84 84 VAL CB C 32.880 0.300 1 957 84 84 VAL CG1 C 21.482 0.300 2 958 84 84 VAL CG2 C 23.461 0.300 2 959 84 84 VAL N N 127.566 0.300 1 960 85 85 CYS H H 8.828 0.030 1 961 85 85 CYS HA H 4.865 0.030 1 962 85 85 CYS HB2 H 2.939 0.030 1 963 85 85 CYS HB3 H 2.939 0.030 1 964 85 85 CYS C C 172.805 0.300 1 965 85 85 CYS CA C 55.809 0.300 1 966 85 85 CYS CB C 31.393 0.300 1 967 85 85 CYS N N 123.590 0.300 1 968 86 86 LYS H H 8.431 0.030 1 969 86 86 LYS HA H 4.660 0.030 1 970 86 86 LYS HB2 H 1.665 0.030 1 971 86 86 LYS HB3 H 1.665 0.030 1 972 86 86 LYS HG2 H 1.309 0.030 2 973 86 86 LYS HG3 H 1.278 0.030 2 974 86 86 LYS HD2 H 1.367 0.030 1 975 86 86 LYS HD3 H 1.367 0.030 1 976 86 86 LYS HE2 H 2.963 0.030 1 977 86 86 LYS HE3 H 2.963 0.030 1 978 86 86 LYS C C 176.388 0.300 1 979 86 86 LYS CA C 55.632 0.300 1 980 86 86 LYS CB C 33.222 0.300 1 981 86 86 LYS CG C 24.762 0.300 1 982 86 86 LYS CD C 28.819 0.300 1 983 86 86 LYS CE C 42.173 0.300 1 984 86 86 LYS N N 122.052 0.300 1 985 87 87 LEU H H 8.621 0.030 1 986 87 87 LEU HA H 4.489 0.030 1 987 87 87 LEU HB2 H 1.654 0.030 2 988 87 87 LEU HB3 H 1.551 0.030 2 989 87 87 LEU HG H 1.590 0.030 1 990 87 87 LEU HD1 H 0.835 0.030 1 991 87 87 LEU HD2 H 0.853 0.030 1 992 87 87 LEU C C 175.695 0.300 1 993 87 87 LEU CA C 53.207 0.300 1 994 87 87 LEU CB C 40.906 0.300 1 995 87 87 LEU CG C 28.277 0.300 1 996 87 87 LEU CD1 C 25.205 0.300 2 997 87 87 LEU CD2 C 23.969 0.300 2 998 87 87 LEU N N 127.227 0.300 1 999 88 88 PRO HA H 4.262 0.030 1 1000 88 88 PRO HB2 H 2.290 0.030 2 1001 88 88 PRO HB3 H 1.894 0.030 2 1002 88 88 PRO HG2 H 1.944 0.030 1 1003 88 88 PRO HG3 H 1.944 0.030 1 1004 88 88 PRO HD2 H 3.404 0.030 2 1005 88 88 PRO HD3 H 3.581 0.030 2 1006 88 88 PRO C C 177.760 0.300 1 1007 88 88 PRO CA C 64.582 0.300 1 1008 88 88 PRO CB C 31.964 0.300 1 1009 88 88 PRO CG C 27.610 0.300 1 1010 88 88 PRO CD C 50.498 0.300 1 1011 89 89 ARG H H 8.384 0.030 1 1012 89 89 ARG HA H 4.142 0.030 1 1013 89 89 ARG HB2 H 1.929 0.030 2 1014 89 89 ARG HB3 H 1.906 0.030 2 1015 89 89 ARG HG2 H 1.562 0.030 1 1016 89 89 ARG HG3 H 1.562 0.030 1 1017 89 89 ARG HD2 H 3.193 0.030 1 1018 89 89 ARG HD3 H 3.193 0.030 1 1019 89 89 ARG HE H 7.263 0.030 1 1020 89 89 ARG C C 176.400 0.300 1 1021 89 89 ARG CA C 57.785 0.300 1 1022 89 89 ARG CB C 29.779 0.300 1 1023 89 89 ARG CG C 27.719 0.300 1 1024 89 89 ARG CD C 43.193 0.300 1 1025 89 89 ARG N N 116.116 0.300 1 1026 89 89 ARG NE N 109.337 0.300 1 1027 90 90 LEU H H 7.985 0.030 1 1028 90 90 LEU HA H 4.453 0.030 1 1029 90 90 LEU HB2 H 1.602 0.030 2 1030 90 90 LEU HB3 H 1.559 0.030 2 1031 90 90 LEU HG H 1.638 0.030 1 1032 90 90 LEU HD1 H 0.906 0.030 1 1033 90 90 LEU HD2 H 0.887 0.030 1 1034 90 90 LEU C C 176.837 0.300 1 1035 90 90 LEU CA C 54.805 0.300 1 1036 90 90 LEU CB C 44.000 0.300 1 1037 90 90 LEU CG C 27.089 0.300 1 1038 90 90 LEU CD1 C 25.503 0.300 2 1039 90 90 LEU CD2 C 22.971 0.300 2 1040 90 90 LEU N N 119.377 0.300 1 1041 91 91 SER H H 8.217 0.030 1 1042 91 91 SER HA H 4.262 0.030 1 1043 91 91 SER HB2 H 4.018 0.030 2 1044 91 91 SER HB3 H 3.953 0.030 2 1045 91 91 SER C C 173.801 0.300 1 1046 91 91 SER CA C 58.654 0.300 1 1047 91 91 SER CB C 62.478 0.300 1 1048 91 91 SER N N 112.956 0.300 1 1049 92 92 LEU H H 6.975 0.030 1 1050 92 92 LEU HA H 4.605 0.030 1 1051 92 92 LEU HB2 H 1.556 0.030 2 1052 92 92 LEU HB3 H 1.475 0.030 2 1053 92 92 LEU HG H 1.614 0.030 1 1054 92 92 LEU HD1 H 0.884 0.030 1 1055 92 92 LEU HD2 H 0.855 0.030 1 1056 92 92 LEU C C 175.938 0.300 1 1057 92 92 LEU CA C 53.626 0.300 1 1058 92 92 LEU CB C 45.035 0.300 1 1059 92 92 LEU CG C 26.556 0.300 1 1060 92 92 LEU CD1 C 25.418 0.300 2 1061 92 92 LEU CD2 C 23.236 0.300 2 1062 92 92 LEU N N 118.631 0.300 1 1063 93 93 ASN H H 8.592 0.030 1 1064 93 93 ASN HA H 5.124 0.030 1 1065 93 93 ASN HB2 H 2.602 0.030 1 1066 93 93 ASN HB3 H 2.602 0.030 1 1067 93 93 ASN HD21 H 7.096 0.030 2 1068 93 93 ASN HD22 H 6.743 0.030 2 1069 93 93 ASN C C 174.967 0.300 1 1070 93 93 ASN CA C 53.319 0.300 1 1071 93 93 ASN CB C 40.945 0.300 1 1072 93 93 ASN N N 118.743 0.300 1 1073 93 93 ASN ND2 N 112.065 0.300 1 1074 94 94 GLY H H 8.960 0.030 1 1075 94 94 GLY HA2 H 4.709 0.030 2 1076 94 94 GLY HA3 H 4.146 0.030 2 1077 94 94 GLY C C 172.270 0.300 1 1078 94 94 GLY CA C 45.228 0.300 1 1079 94 94 GLY N N 109.471 0.300 1 1080 95 95 VAL H H 8.900 0.030 1 1081 95 95 VAL HA H 5.001 0.030 1 1082 95 95 VAL HB H 1.815 0.030 1 1083 95 95 VAL HG1 H 0.438 0.030 1 1084 95 95 VAL HG2 H 0.818 0.030 1 1085 95 95 VAL C C 173.922 0.300 1 1086 95 95 VAL CA C 60.987 0.300 1 1087 95 95 VAL CB C 35.591 0.300 1 1088 95 95 VAL CG1 C 22.258 0.300 2 1089 95 95 VAL CG2 C 22.342 0.300 2 1090 95 95 VAL N N 120.729 0.300 1 1091 96 96 ARG H H 9.221 0.030 1 1092 96 96 ARG HA H 5.323 0.030 1 1093 96 96 ARG HB2 H 1.928 0.030 2 1094 96 96 ARG HB3 H 1.765 0.030 2 1095 96 96 ARG HG2 H 1.398 0.030 2 1096 96 96 ARG HG3 H 1.121 0.030 2 1097 96 96 ARG HD2 H 3.222 0.030 2 1098 96 96 ARG HD3 H 3.166 0.030 2 1099 96 96 ARG HE H 7.284 0.030 1 1100 96 96 ARG C C 175.506 0.300 1 1101 96 96 ARG CA C 54.342 0.300 1 1102 96 96 ARG CB C 34.017 0.300 1 1103 96 96 ARG CG C 27.586 0.300 1 1104 96 96 ARG CD C 43.409 0.300 1 1105 96 96 ARG N N 128.146 0.300 1 1106 96 96 ARG NE N 107.108 0.300 1 1107 97 97 PHE H H 9.718 0.030 1 1108 97 97 PHE HA H 5.778 0.030 1 1109 97 97 PHE HB2 H 3.396 0.030 2 1110 97 97 PHE HB3 H 2.920 0.030 2 1111 97 97 PHE HD1 H 7.240 0.030 1 1112 97 97 PHE HD2 H 7.240 0.030 1 1113 97 97 PHE HE1 H 6.823 0.030 1 1114 97 97 PHE HE2 H 6.823 0.030 1 1115 97 97 PHE HZ H 6.585 0.030 1 1116 97 97 PHE C C 175.185 0.300 1 1117 97 97 PHE CA C 56.188 0.300 1 1118 97 97 PHE CB C 42.508 0.300 1 1119 97 97 PHE CD1 C 132.035 0.300 1 1120 97 97 PHE CD2 C 132.035 0.300 1 1121 97 97 PHE CE1 C 130.700 0.300 1 1122 97 97 PHE CE2 C 130.700 0.300 1 1123 97 97 PHE CZ C 128.835 0.300 1 1124 97 97 PHE N N 124.495 0.300 1 1125 98 98 LYS H H 9.345 0.030 1 1126 98 98 LYS HA H 5.213 0.030 1 1127 98 98 LYS HB2 H 1.898 0.030 2 1128 98 98 LYS HB3 H 1.735 0.030 2 1129 98 98 LYS HG2 H 1.385 0.030 2 1130 98 98 LYS HG3 H 1.150 0.030 2 1131 98 98 LYS HE2 H 2.887 0.030 1 1132 98 98 LYS HE3 H 2.887 0.030 1 1133 98 98 LYS C C 175.310 0.300 1 1134 98 98 LYS CA C 55.012 0.300 1 1135 98 98 LYS CB C 36.234 0.300 1 1136 98 98 LYS CG C 24.709 0.300 1 1137 98 98 LYS CD C 29.725 0.300 1 1138 98 98 LYS CE C 42.220 0.300 1 1139 98 98 LYS N N 122.841 0.300 1 1140 99 99 ARG H H 8.442 0.030 1 1141 99 99 ARG HA H 3.479 0.030 1 1142 99 99 ARG HB2 H 1.407 0.030 2 1143 99 99 ARG HB3 H -0.382 0.030 2 1144 99 99 ARG HG2 H 1.201 0.030 2 1145 99 99 ARG HG3 H 0.907 0.030 2 1146 99 99 ARG HD2 H 3.184 0.030 2 1147 99 99 ARG HD3 H 2.512 0.030 2 1148 99 99 ARG HE H 7.594 0.030 1 1149 99 99 ARG C C 174.748 0.300 1 1150 99 99 ARG CA C 58.795 0.300 1 1151 99 99 ARG CB C 30.092 0.300 1 1152 99 99 ARG CG C 27.231 0.300 1 1153 99 99 ARG CD C 42.502 0.300 1 1154 99 99 ARG N N 129.903 0.300 1 1155 99 99 ARG NE N 106.897 0.300 1 1156 100 100 ILE H H 8.968 0.030 1 1157 100 100 ILE HA H 4.346 0.030 1 1158 100 100 ILE HB H 1.618 0.030 1 1159 100 100 ILE HG12 H 1.530 0.030 2 1160 100 100 ILE HG13 H 1.470 0.030 2 1161 100 100 ILE HG2 H 1.024 0.030 1 1162 100 100 ILE HD1 H 0.812 0.030 1 1163 100 100 ILE C C 175.873 0.300 1 1164 100 100 ILE CA C 61.137 0.300 1 1165 100 100 ILE CB C 38.433 0.300 1 1166 100 100 ILE CG1 C 27.500 0.300 1 1167 100 100 ILE CG2 C 16.759 0.300 1 1168 100 100 ILE CD1 C 11.250 0.300 1 1169 100 100 ILE N N 127.649 0.300 1 1170 101 101 SER H H 8.564 0.030 1 1171 101 101 SER HA H 4.733 0.030 1 1172 101 101 SER HB2 H 3.972 0.030 2 1173 101 101 SER HB3 H 3.851 0.030 2 1174 101 101 SER C C 172.780 0.300 1 1175 101 101 SER CA C 58.268 0.300 1 1176 101 101 SER CB C 65.335 0.300 1 1177 101 101 SER N N 113.503 0.300 1 1178 102 102 GLY H H 8.582 0.030 1 1179 102 102 GLY HA2 H 5.047 0.030 2 1180 102 102 GLY HA3 H 4.087 0.030 2 1181 102 102 GLY C C 174.699 0.300 1 1182 102 102 GLY CA C 43.602 0.300 1 1183 102 102 GLY N N 109.988 0.300 1 1184 103 103 THR H H 9.020 0.030 1 1185 103 103 THR HA H 4.364 0.030 1 1186 103 103 THR HB H 4.733 0.030 1 1187 103 103 THR HG2 H 1.479 0.030 1 1188 103 103 THR C C 175.598 0.300 1 1189 103 103 THR CA C 61.851 0.300 1 1190 103 103 THR CB C 70.236 0.300 1 1191 103 103 THR CG2 C 22.146 0.300 1 1192 103 103 THR N N 111.355 0.300 1 1193 104 104 SER H H 8.890 0.030 1 1194 104 104 SER HB2 H 4.189 0.030 2 1195 104 104 SER HB3 H 4.020 0.030 2 1196 104 104 SER C C 177.177 0.300 1 1197 104 104 SER CB C 62.698 0.300 1 1198 104 104 SER N N 117.009 0.300 1 1199 105 105 ILE H H 8.040 0.030 1 1200 105 105 ILE HA H 3.936 0.030 1 1201 105 105 ILE HB H 1.782 0.030 1 1202 105 105 ILE HG12 H 1.543 0.030 2 1203 105 105 ILE HG13 H 1.271 0.030 2 1204 105 105 ILE HG2 H 0.947 0.030 1 1205 105 105 ILE HD1 H 0.918 0.030 1 1206 105 105 ILE C C 176.837 0.300 1 1207 105 105 ILE CA C 63.643 0.300 1 1208 105 105 ILE CB C 38.253 0.300 1 1209 105 105 ILE CG1 C 29.046 0.300 1 1210 105 105 ILE CG2 C 17.421 0.300 1 1211 105 105 ILE CD1 C 13.366 0.300 1 1212 105 105 ILE N N 119.166 0.300 1 1213 106 106 ALA H H 7.935 0.030 1 1214 106 106 ALA HA H 4.121 0.030 1 1215 106 106 ALA HB H 1.477 0.030 1 1216 106 106 ALA C C 181.670 0.300 1 1217 106 106 ALA CA C 55.317 0.300 1 1218 106 106 ALA CB C 18.496 0.300 1 1219 106 106 ALA N N 124.619 0.300 1 1220 107 107 PHE H H 8.330 0.030 1 1221 107 107 PHE HA H 4.137 0.030 1 1222 107 107 PHE HB2 H 3.189 0.030 2 1223 107 107 PHE HB3 H 3.043 0.030 2 1224 107 107 PHE HD1 H 7.019 0.030 1 1225 107 107 PHE HD2 H 7.019 0.030 1 1226 107 107 PHE HE1 H 7.071 0.030 1 1227 107 107 PHE HE2 H 7.071 0.030 1 1228 107 107 PHE C C 174.626 0.300 1 1229 107 107 PHE CA C 59.814 0.300 1 1230 107 107 PHE CB C 39.094 0.300 1 1231 107 107 PHE CD1 C 131.760 0.300 1 1232 107 107 PHE CD2 C 131.760 0.300 1 1233 107 107 PHE CE1 C 129.770 0.300 1 1234 107 107 PHE CE2 C 129.770 0.300 1 1235 107 107 PHE N N 118.944 0.300 1 1236 108 108 LYS H H 8.682 0.030 1 1237 108 108 LYS HA H 3.135 0.030 1 1238 108 108 LYS HB2 H 1.819 0.030 2 1239 108 108 LYS HB3 H 1.789 0.030 2 1240 108 108 LYS HG2 H 1.557 0.030 2 1241 108 108 LYS HG3 H 1.267 0.030 2 1242 108 108 LYS HD2 H 1.613 0.030 1 1243 108 108 LYS HD3 H 1.613 0.030 1 1244 108 108 LYS HE2 H 2.903 0.030 1 1245 108 108 LYS HE3 H 2.903 0.030 1 1246 108 108 LYS C C 179.387 0.300 1 1247 108 108 LYS CA C 60.060 0.300 1 1248 108 108 LYS CB C 31.901 0.300 1 1249 108 108 LYS CG C 25.804 0.300 1 1250 108 108 LYS CD C 29.438 0.300 1 1251 108 108 LYS CE C 41.998 0.300 1 1252 108 108 LYS N N 119.752 0.300 1 1253 109 109 ASN H H 8.179 0.030 1 1254 109 109 ASN HA H 4.291 0.030 1 1255 109 109 ASN HB2 H 2.797 0.030 2 1256 109 109 ASN HB3 H 2.660 0.030 2 1257 109 109 ASN HD21 H 7.521 0.030 2 1258 109 109 ASN HD22 H 6.786 0.030 2 1259 109 109 ASN C C 177.760 0.300 1 1260 109 109 ASN CA C 56.038 0.300 1 1261 109 109 ASN CB C 37.880 0.300 1 1262 109 109 ASN N N 117.305 0.300 1 1263 109 109 ASN ND2 N 111.251 0.300 1 1264 110 110 ILE H H 7.530 0.030 1 1265 110 110 ILE HA H 4.049 0.030 1 1266 110 110 ILE HB H 1.499 0.030 1 1267 110 110 ILE HG12 H 0.856 0.030 2 1268 110 110 ILE HG13 H 0.777 0.030 2 1269 110 110 ILE HG2 H 0.222 0.030 1 1270 110 110 ILE HD1 H 0.330 0.030 1 1271 110 110 ILE C C 175.549 0.300 1 1272 110 110 ILE CA C 60.505 0.300 1 1273 110 110 ILE CB C 37.596 0.300 1 1274 110 110 ILE CG1 C 30.389 0.300 1 1275 110 110 ILE CG2 C 17.773 0.300 1 1276 110 110 ILE CD1 C 12.744 0.300 1 1277 110 110 ILE N N 120.533 0.300 1 1278 111 111 ALA H H 7.848 0.030 1 1279 111 111 ALA HA H 2.997 0.030 1 1280 111 111 ALA HB H -0.116 0.030 1 1281 111 111 ALA C C 178.294 0.300 1 1282 111 111 ALA CA C 54.544 0.300 1 1283 111 111 ALA CB C 17.147 0.300 1 1284 111 111 ALA N N 125.108 0.300 1 1285 112 112 SER H H 7.545 0.030 1 1286 112 112 SER HA H 3.652 0.030 1 1287 112 112 SER HB2 H 3.813 0.030 2 1288 112 112 SER HB3 H 3.742 0.030 2 1289 112 112 SER C C 176.011 0.300 1 1290 112 112 SER CA C 61.779 0.300 1 1291 112 112 SER CB C 62.710 0.300 1 1292 112 112 SER N N 109.402 0.300 1 1293 113 113 LYS H H 7.212 0.030 1 1294 113 113 LYS HA H 3.952 0.030 1 1295 113 113 LYS HB2 H 1.799 0.030 2 1296 113 113 LYS HB3 H 1.744 0.030 2 1297 113 113 LYS HG2 H 1.544 0.030 1 1298 113 113 LYS HG3 H 1.544 0.030 1 1299 113 113 LYS HD2 H 1.566 0.030 1 1300 113 113 LYS HD3 H 1.566 0.030 1 1301 113 113 LYS HE2 H 2.901 0.030 1 1302 113 113 LYS HE3 H 2.901 0.030 1 1303 113 113 LYS C C 178.440 0.300 1 1304 113 113 LYS CA C 59.546 0.300 1 1305 113 113 LYS CB C 32.949 0.300 1 1306 113 113 LYS CG C 29.121 0.300 1 1307 113 113 LYS CE C 42.173 0.300 1 1308 113 113 LYS N N 123.072 0.300 1 1309 114 114 ILE H H 7.825 0.030 1 1310 114 114 ILE HA H 3.392 0.030 1 1311 114 114 ILE HB H 1.880 0.030 1 1312 114 114 ILE HG12 H 1.524 0.030 2 1313 114 114 ILE HG13 H 1.265 0.030 2 1314 114 114 ILE HG2 H 0.890 0.030 1 1315 114 114 ILE HD1 H 0.873 0.030 1 1316 114 114 ILE C C 177.565 0.300 1 1317 114 114 ILE CA C 63.748 0.300 1 1318 114 114 ILE CB C 37.078 0.300 1 1319 114 114 ILE CG1 C 28.637 0.300 1 1320 114 114 ILE CG2 C 17.297 0.300 1 1321 114 114 ILE CD1 C 13.637 0.300 1 1322 114 114 ILE N N 118.190 0.300 1 1323 115 115 ALA H H 8.355 0.030 1 1324 115 115 ALA HA H 3.496 0.030 1 1325 115 115 ALA HB H 0.281 0.030 1 1326 115 115 ALA C C 179.484 0.300 1 1327 115 115 ALA CA C 55.598 0.300 1 1328 115 115 ALA CB C 17.689 0.300 1 1329 115 115 ALA N N 119.903 0.300 1 1330 116 116 ASN H H 8.017 0.030 1 1331 116 116 ASN HA H 4.493 0.030 1 1332 116 116 ASN HB2 H 2.937 0.030 2 1333 116 116 ASN HB3 H 2.795 0.030 2 1334 116 116 ASN HD21 H 7.585 0.030 2 1335 116 116 ASN HD22 H 6.912 0.030 2 1336 116 116 ASN C C 179.849 0.300 1 1337 116 116 ASN CA C 56.371 0.300 1 1338 116 116 ASN CB C 38.623 0.300 1 1339 116 116 ASN N N 115.396 0.300 1 1340 116 116 ASN ND2 N 112.864 0.300 1 1341 117 117 GLU H H 7.926 0.030 1 1342 117 117 GLU HA H 4.073 0.030 1 1343 117 117 GLU HB2 H 2.105 0.030 2 1344 117 117 GLU HB3 H 2.047 0.030 2 1345 117 117 GLU HG2 H 2.567 0.030 2 1346 117 117 GLU HG3 H 2.386 0.030 2 1347 117 117 GLU C C 178.173 0.300 1 1348 117 117 GLU CA C 59.022 0.300 1 1349 117 117 GLU CB C 29.020 0.300 1 1350 117 117 GLU CG C 36.320 0.300 1 1351 117 117 GLU N N 121.510 0.300 1 1352 118 118 LEU H H 7.610 0.030 1 1353 118 118 LEU HA H 4.236 0.030 1 1354 118 118 LEU HB2 H 1.736 0.030 2 1355 118 118 LEU HB3 H 1.507 0.030 2 1356 118 118 LEU HG H 1.725 0.030 1 1357 118 118 LEU HD1 H 0.681 0.030 1 1358 118 118 LEU HD2 H 0.795 0.030 1 1359 118 118 LEU C C 174.722 0.300 1 1360 118 118 LEU CA C 54.765 0.300 1 1361 118 118 LEU CB C 43.589 0.300 1 1362 118 118 LEU CG C 26.677 0.300 1 1363 118 118 LEU CD1 C 27.994 0.300 2 1364 118 118 LEU CD2 C 23.412 0.300 2 1365 118 118 LEU N N 118.617 0.300 1 1366 119 119 LYS H H 7.800 0.030 1 1367 119 119 LYS HA H 3.980 0.030 1 1368 119 119 LYS HB2 H 2.115 0.030 2 1369 119 119 LYS HB3 H 1.957 0.030 2 1370 119 119 LYS HG2 H 1.353 0.030 1 1371 119 119 LYS HG3 H 1.353 0.030 1 1372 119 119 LYS HD2 H 1.742 0.030 2 1373 119 119 LYS HD3 H 1.660 0.030 2 1374 119 119 LYS HE2 H 3.014 0.030 1 1375 119 119 LYS HE3 H 3.014 0.030 1 1376 119 119 LYS C C 176.400 0.300 1 1377 119 119 LYS CA C 56.968 0.300 1 1378 119 119 LYS CB C 28.529 0.300 1 1379 119 119 LYS CG C 24.905 0.300 1 1380 119 119 LYS CD C 29.061 0.300 1 1381 119 119 LYS CE C 42.420 0.300 1 1382 119 119 LYS N N 115.116 0.300 1 1383 120 120 LEU H H 7.962 0.030 1 1384 120 120 LEU HA H 4.704 0.030 1 1385 120 120 LEU HB2 H 1.525 0.030 2 1386 120 120 LEU HB3 H 1.436 0.030 2 1387 120 120 LEU HG H 1.715 0.030 1 1388 120 120 LEU HD1 H 0.633 0.030 1 1389 120 120 LEU HD2 H 0.668 0.030 1 1390 120 120 LEU C C 177.323 0.300 1 1391 120 120 LEU CA C 53.595 0.300 1 1392 120 120 LEU CB C 43.206 0.300 1 1393 120 120 LEU CG C 26.029 0.300 1 1394 120 120 LEU CD1 C 25.520 0.300 2 1395 120 120 LEU CD2 C 21.894 0.300 2 1396 120 120 LEU N N 116.356 0.300 1 1397 121 121 SER H H 9.152 0.030 1 1398 121 121 SER HA H 5.016 0.030 1 1399 121 121 SER HB2 H 3.912 0.030 1 1400 121 121 SER HB3 H 3.912 0.030 1 1401 121 121 SER C C 173.849 0.300 1 1402 121 121 SER CA C 57.354 0.300 1 1403 121 121 SER CB C 65.063 0.300 1 1404 121 121 SER N N 116.237 0.300 1 1405 122 122 GLY H H 8.745 0.030 1 1406 122 122 GLY HA2 H 4.438 0.030 2 1407 122 122 GLY HA3 H 3.463 0.030 2 1408 122 122 GLY C C 170.837 0.300 1 1409 122 122 GLY CA C 43.827 0.300 1 1410 122 122 GLY N N 112.483 0.300 1 1411 123 123 PRO HA H 4.388 0.030 1 1412 123 123 PRO HB2 H 1.833 0.030 2 1413 123 123 PRO HB3 H 1.336 0.030 2 1414 123 123 PRO HG2 H 1.766 0.030 2 1415 123 123 PRO HG3 H 1.587 0.030 2 1416 123 123 PRO HD2 H 3.463 0.030 2 1417 123 123 PRO HD3 H 3.548 0.030 2 1418 123 123 PRO C C 177.344 0.300 1 1419 123 123 PRO CA C 63.054 0.300 1 1420 123 123 PRO CB C 34.675 0.300 1 1421 123 123 PRO CG C 24.444 0.300 1 1422 123 123 PRO CD C 49.917 0.300 1 1423 124 124 SER H H 8.545 0.030 1 1424 124 124 SER HA H 4.540 0.030 1 1425 124 124 SER C C 174.456 0.300 1 1426 124 124 SER CA C 58.162 0.300 1 1427 124 124 SER CB C 64.301 0.300 1 1428 124 124 SER N N 116.237 0.300 1 1429 125 125 SER H H 8.403 0.030 1 1430 125 125 SER HA H 4.598 0.030 1 1431 125 125 SER C C 173.971 0.300 1 1432 125 125 SER CA C 58.268 0.300 1 1433 125 125 SER CB C 64.136 0.300 1 1434 125 125 SER N N 117.631 0.300 1 1435 126 126 GLY H H 8.044 0.030 1 1436 126 126 GLY HA2 H 3.788 0.030 2 1437 126 126 GLY HA3 H 3.707 0.030 2 1438 126 126 GLY C C 178.634 0.300 1 1439 126 126 GLY CA C 46.198 0.300 1 1440 126 126 GLY N N 116.468 0.300 1 stop_ save_