data_10025 ####################### # 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 10025 _BMRB_flat_file_name bmr10025.str _Entry_type new _Submission_date 2006-09-07 _Accession_date 2006-09-07 _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 Kigawa T. . . 4 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" 592 "13C chemical shifts" 436 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 original author . stop_ 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_name_full 'Protein Science' _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 'kinase associated domain 1(KA1)' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_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 102 _Mol_residue_sequence ; GSSGSSGRFTWSMKTTSSMD PSDMMREIRKVLGANNCDYE QRERFLLFCVHGDGHAENLV QWEMEVCKLPRLSLNGVRFK RISGTSIAFKNIASKIANEL KL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 PHE 10 THR 11 TRP 12 SER 13 MET 14 LYS 15 THR 16 THR 17 SER 18 SER 19 MET 20 ASP 21 PRO 22 SER 23 ASP 24 MET 25 MET 26 ARG 27 GLU 28 ILE 29 ARG 30 LYS 31 VAL 32 LEU 33 GLY 34 ALA 35 ASN 36 ASN 37 CYS 38 ASP 39 TYR 40 GLU 41 GLN 42 ARG 43 GLU 44 ARG 45 PHE 46 LEU 47 LEU 48 PHE 49 CYS 50 VAL 51 HIS 52 GLY 53 ASP 54 GLY 55 HIS 56 ALA 57 GLU 58 ASN 59 LEU 60 VAL 61 GLN 62 TRP 63 GLU 64 MET 65 GLU 66 VAL 67 CYS 68 LYS 69 LEU 70 PRO 71 ARG 72 LEU 73 SER 74 LEU 75 ASN 76 GLY 77 VAL 78 ARG 79 PHE 80 LYS 81 ARG 82 ILE 83 SER 84 GLY 85 THR 86 SER 87 ILE 88 ALA 89 PHE 90 LYS 91 ASN 92 ILE 93 ALA 94 SER 95 LYS 96 ILE 97 ALA 98 ASN 99 GLU 100 LEU 101 LYS 102 LEU 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 1UL7 "Solution Structure Of Kinase Associated Domain 1 Of Mouse MapMICROTUBULE AFFINITY-Regulating Kinase 3" 100.00 102 100.00 100.00 9.01e-69 DBJ BAC35922 "unnamed protein product [Mus musculus]" 93.14 452 100.00 100.00 1.40e-62 DBJ BAD92779 "MAP/microtubule affinity-regulating kinase 3 variant [Homo sapiens]" 93.14 203 97.89 97.89 4.44e-63 DBJ BAE21056 "unnamed protein product [Mus musculus]" 93.14 744 98.95 98.95 5.15e-59 DBJ BAE38602 "unnamed protein product [Mus musculus]" 93.14 729 98.95 98.95 4.08e-59 DBJ BAG59243 "unnamed protein product [Homo sapiens]" 93.14 462 97.89 97.89 1.40e-60 EMBL CAD61882 "unnamed protein product [Homo sapiens]" 93.14 659 97.89 97.89 4.66e-59 EMBL CAD62578 "unnamed protein product [Homo sapiens]" 93.14 431 97.89 97.89 1.88e-61 GB AAA59991 "protein p78 [Homo sapiens]" 93.14 713 97.89 97.89 1.88e-58 GB AAC15093 "Cdc25C associated protein kinase C-TAK1 [Homo sapiens]" 93.14 729 97.89 97.89 1.60e-58 GB AAD48007 "serine/threonine protein kinase Kp78 splice variant CTAK75a [Homo sapiens]" 93.14 752 97.89 97.89 1.74e-58 GB AAD51631 "protein kinase STK10 [Homo sapiens]" 92.16 437 97.87 97.87 2.08e-60 GB AAF64455 "ELKL motif kinase 2 long form [Mus musculus]" 93.14 744 98.95 98.95 4.85e-59 REF NP_001122390 "MAP/microtubule affinity-regulating kinase 3 isoform a [Homo sapiens]" 93.14 753 97.89 97.89 1.94e-58 REF NP_001122391 "MAP/microtubule affinity-regulating kinase 3 isoform b [Homo sapiens]" 93.14 744 97.89 97.89 1.63e-58 REF NP_001122392 "MAP/microtubule affinity-regulating kinase 3 isoform d [Homo sapiens]" 93.14 713 97.89 97.89 1.92e-58 REF NP_001122393 "MAP/microtubule affinity-regulating kinase 3 isoform e [Homo sapiens]" 93.14 659 97.89 97.89 4.38e-59 REF NP_002367 "MAP/microtubule affinity-regulating kinase 3 isoform c [Homo sapiens]" 93.14 729 97.89 97.89 1.60e-58 SP P27448 "RecName: Full=MAP/microtubule affinity-regulating kinase 3; AltName: Full=C-TAK1; Short=cTAK1; AltName: Full=Cdc25C-associated " 93.14 753 97.89 97.89 2.27e-58 SP Q03141 "RecName: Full=MAP/microtubule affinity-regulating kinase 3; AltName: Full=ELKL motif kinase 2; Short=EMK-2; AltName: Full=MPK-1" 93.14 753 98.95 98.95 6.03e-59 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 P021202-01 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 1.0 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_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.853 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . 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_ ####################### # 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 'kinase associated domain 1(KA1)' _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 3 3 SER HA H 4.532 0.030 1 2 3 3 SER HB2 H 3.930 0.030 1 3 3 3 SER HB3 H 3.930 0.030 1 4 3 3 SER C C 175.179 0.300 1 5 3 3 SER CA C 58.569 0.300 1 6 3 3 SER CB C 63.822 0.300 1 7 4 4 GLY H H 8.503 0.030 1 8 4 4 GLY C C 174.472 0.300 1 9 4 4 GLY CA C 45.568 0.300 1 10 4 4 GLY N N 110.926 0.300 1 11 6 6 SER HA H 4.495 0.030 1 12 6 6 SER HB2 H 3.968 0.030 1 13 6 6 SER HB3 H 3.968 0.030 1 14 6 6 SER C C 175.130 0.300 1 15 6 6 SER CA C 58.836 0.300 1 16 6 6 SER CB C 63.904 0.300 1 17 7 7 GLY H H 8.401 0.030 1 18 7 7 GLY HA2 H 3.943 0.030 1 19 7 7 GLY HA3 H 3.943 0.030 1 20 7 7 GLY C C 173.947 0.300 1 21 7 7 GLY CA C 45.522 0.300 1 22 7 7 GLY N N 110.623 0.300 1 23 8 8 ARG H H 8.013 0.030 1 24 8 8 ARG HA H 4.292 0.030 1 25 8 8 ARG HB2 H 1.626 0.030 1 26 8 8 ARG HB3 H 1.626 0.030 1 27 8 8 ARG HG2 H 1.434 0.030 1 28 8 8 ARG HG3 H 1.434 0.030 1 29 8 8 ARG HD2 H 3.113 0.030 1 30 8 8 ARG HD3 H 3.113 0.030 1 31 8 8 ARG C C 176.045 0.300 1 32 8 8 ARG CA C 56.282 0.300 1 33 8 8 ARG CB C 30.966 0.300 1 34 8 8 ARG CG C 26.994 0.300 1 35 8 8 ARG CD C 43.401 0.300 1 36 8 8 ARG N N 120.113 0.300 1 37 9 9 PHE H H 8.306 0.030 1 38 9 9 PHE HA H 4.771 0.030 1 39 9 9 PHE HB2 H 3.086 0.030 2 40 9 9 PHE HB3 H 2.915 0.030 2 41 9 9 PHE HD1 H 7.198 0.030 1 42 9 9 PHE HD2 H 7.198 0.030 1 43 9 9 PHE C C 175.398 0.300 1 44 9 9 PHE CA C 57.234 0.300 1 45 9 9 PHE CB C 39.700 0.300 1 46 9 9 PHE N N 120.288 0.300 1 47 10 10 THR H H 8.147 0.030 1 48 10 10 THR HA H 4.659 0.030 1 49 10 10 THR HB H 4.194 0.030 1 50 10 10 THR HG2 H 1.184 0.030 1 51 10 10 THR C C 174.081 0.300 1 52 10 10 THR CA C 61.357 0.300 1 53 10 10 THR CB C 70.766 0.300 1 54 10 10 THR CG2 C 21.572 0.300 1 55 10 10 THR N N 114.540 0.300 1 56 11 11 TRP H H 8.472 0.030 1 57 11 11 TRP HA H 4.838 0.030 1 58 11 11 TRP HB2 H 3.195 0.030 1 59 11 11 TRP HB3 H 3.195 0.030 1 60 11 11 TRP HD1 H 7.283 0.030 1 61 11 11 TRP HE1 H 10.046 0.030 1 62 11 11 TRP HE3 H 7.248 0.030 1 63 11 11 TRP HZ2 H 7.288 0.030 1 64 11 11 TRP HZ3 H 6.689 0.030 1 65 11 11 TRP HH2 H 6.867 0.030 1 66 11 11 TRP CB C 31.282 0.300 1 67 11 11 TRP CD1 C 127.566 0.300 1 68 11 11 TRP CE3 C 120.348 0.300 1 69 11 11 TRP CZ2 C 114.555 0.300 1 70 11 11 TRP CZ3 C 121.838 0.300 1 71 11 11 TRP CH2 C 124.553 0.300 1 72 11 11 TRP NE1 N 129.369 0.300 1 73 13 13 MET HA H 4.563 0.030 1 74 13 13 MET HB2 H 2.215 0.030 2 75 13 13 MET HB3 H 1.975 0.030 2 76 13 13 MET HG2 H 2.500 0.030 2 77 13 13 MET HG3 H 2.456 0.030 2 78 13 13 MET HE H 1.985 0.030 1 79 13 13 MET CA C 55.849 0.300 1 80 13 13 MET CB C 33.034 0.300 1 81 13 13 MET CG C 31.999 0.300 1 82 13 13 MET CE C 16.951 0.300 1 83 14 14 LYS H H 8.524 0.030 1 84 14 14 LYS HA H 4.550 0.030 1 85 14 14 LYS HB2 H 1.900 0.030 2 86 14 14 LYS HB3 H 1.788 0.030 2 87 14 14 LYS HG2 H 1.389 0.030 1 88 14 14 LYS HG3 H 1.389 0.030 1 89 14 14 LYS HE2 H 2.814 0.030 1 90 14 14 LYS HE3 H 2.814 0.030 1 91 14 14 LYS C C 176.374 0.300 1 92 14 14 LYS CA C 56.702 0.300 1 93 14 14 LYS CB C 33.585 0.300 1 94 14 14 LYS CG C 24.583 0.300 1 95 14 14 LYS CD C 28.559 0.300 1 96 14 14 LYS CE C 41.989 0.300 1 97 14 14 LYS N N 122.881 0.300 1 98 15 15 THR H H 7.781 0.030 1 99 15 15 THR HA H 4.595 0.030 1 100 15 15 THR HB H 4.269 0.030 1 101 15 15 THR HG2 H 1.242 0.030 1 102 15 15 THR C C 173.142 0.300 1 103 15 15 THR CA C 61.674 0.300 1 104 15 15 THR CB C 69.954 0.300 1 105 15 15 THR CG2 C 21.673 0.300 1 106 15 15 THR N N 113.014 0.300 1 107 16 16 THR H H 8.143 0.030 1 108 16 16 THR HA H 5.102 0.030 1 109 16 16 THR HB H 4.212 0.030 1 110 16 16 THR HG2 H 1.140 0.030 1 111 16 16 THR C C 173.862 0.300 1 112 16 16 THR CA C 60.317 0.300 1 113 16 16 THR CB C 71.705 0.300 1 114 16 16 THR CG2 C 21.968 0.300 1 115 16 16 THR N N 113.798 0.300 1 116 17 17 SER H H 8.851 0.030 1 117 17 17 SER HA H 4.733 0.030 1 118 17 17 SER HB2 H 3.950 0.030 2 119 17 17 SER HB3 H 3.651 0.030 2 120 17 17 SER C C 174.350 0.300 1 121 17 17 SER CA C 57.833 0.300 1 122 17 17 SER CB C 65.175 0.300 1 123 17 17 SER N N 113.599 0.300 1 124 18 18 SER H H 9.021 0.030 1 125 18 18 SER HA H 4.720 0.030 1 126 18 18 SER HB2 H 4.071 0.030 2 127 18 18 SER HB3 H 3.868 0.030 2 128 18 18 SER C C 174.691 0.300 1 129 18 18 SER CA C 58.185 0.300 1 130 18 18 SER CB C 63.897 0.300 1 131 18 18 SER N N 120.591 0.300 1 132 19 19 MET H H 8.628 0.030 1 133 19 19 MET HA H 4.111 0.030 1 134 19 19 MET HB2 H 2.026 0.030 2 135 19 19 MET HB3 H 1.991 0.030 2 136 19 19 MET HG2 H 2.651 0.030 2 137 19 19 MET HG3 H 2.584 0.030 2 138 19 19 MET HE H 2.068 0.030 1 139 19 19 MET C C 174.215 0.300 1 140 19 19 MET CA C 56.525 0.300 1 141 19 19 MET CB C 34.509 0.300 1 142 19 19 MET CG C 32.447 0.300 1 143 19 19 MET CE C 16.659 0.300 1 144 19 19 MET N N 124.097 0.300 1 145 20 20 ASP H H 8.716 0.030 1 146 20 20 ASP HA H 4.659 0.030 1 147 20 20 ASP HB2 H 2.755 0.030 1 148 20 20 ASP HB3 H 2.755 0.030 1 149 20 20 ASP C C 176.618 0.300 1 150 20 20 ASP CA C 52.863 0.300 1 151 20 20 ASP CB C 42.518 0.300 1 152 20 20 ASP N N 122.280 0.300 1 153 21 21 PRO HA H 4.164 0.030 1 154 21 21 PRO HB2 H 1.522 0.030 1 155 21 21 PRO HB3 H 1.522 0.030 1 156 21 21 PRO HG2 H 1.906 0.030 2 157 21 21 PRO HG3 H 1.578 0.030 2 158 21 21 PRO HD2 H 3.807 0.030 2 159 21 21 PRO HD3 H 3.738 0.030 2 160 21 21 PRO CA C 65.749 0.300 1 161 21 21 PRO CB C 32.513 0.300 1 162 21 21 PRO CG C 27.705 0.300 1 163 21 21 PRO CD C 51.097 0.300 1 164 22 22 SER H H 8.866 0.030 1 165 22 22 SER HA H 4.380 0.030 1 166 22 22 SER HB2 H 4.062 0.030 2 167 22 22 SER HB3 H 3.993 0.030 2 168 22 22 SER C C 177.692 0.300 1 169 22 22 SER CA C 62.732 0.300 1 170 22 22 SER CB C 62.418 0.300 1 171 23 23 ASP H H 7.614 0.030 1 172 23 23 ASP HA H 4.611 0.030 1 173 23 23 ASP HB2 H 2.922 0.030 2 174 23 23 ASP HB3 H 2.845 0.030 2 175 23 23 ASP C C 179.265 0.300 1 176 23 23 ASP CA C 57.392 0.300 1 177 23 23 ASP CB C 40.418 0.300 1 178 23 23 ASP N N 124.671 0.300 1 179 24 24 MET H H 8.345 0.030 1 180 24 24 MET HA H 3.900 0.030 1 181 24 24 MET HB2 H 2.294 0.030 2 182 24 24 MET HB3 H 1.945 0.030 2 183 24 24 MET HG2 H 2.449 0.030 1 184 24 24 MET HG3 H 2.449 0.030 1 185 24 24 MET HE H 1.772 0.030 1 186 24 24 MET C C 178.228 0.300 1 187 24 24 MET CA C 59.944 0.300 1 188 24 24 MET CB C 32.717 0.300 1 189 24 24 MET CG C 31.971 0.300 1 190 24 24 MET CE C 16.159 0.300 1 191 24 24 MET N N 120.579 0.300 1 192 25 25 MET H H 8.159 0.030 1 193 25 25 MET HA H 4.351 0.030 1 194 25 25 MET HB2 H 2.455 0.030 2 195 25 25 MET HB3 H 2.107 0.030 2 196 25 25 MET HG2 H 3.054 0.030 2 197 25 25 MET HG3 H 2.951 0.030 2 198 25 25 MET HE H 1.970 0.030 1 199 25 25 MET C C 178.094 0.300 1 200 25 25 MET CA C 56.947 0.300 1 201 25 25 MET CB C 30.437 0.300 1 202 25 25 MET CG C 32.761 0.300 1 203 25 25 MET CE C 15.890 0.300 1 204 25 25 MET N N 116.081 0.300 1 205 26 26 ARG H H 7.404 0.030 1 206 26 26 ARG HA H 3.977 0.030 1 207 26 26 ARG HB2 H 2.155 0.030 2 208 26 26 ARG HB3 H 2.056 0.030 2 209 26 26 ARG HG2 H 1.911 0.030 2 210 26 26 ARG HG3 H 1.577 0.030 2 211 26 26 ARG HD2 H 3.345 0.030 1 212 26 26 ARG HD3 H 3.345 0.030 1 213 26 26 ARG C C 179.107 0.300 1 214 26 26 ARG CA C 60.142 0.300 1 215 26 26 ARG CB C 30.014 0.300 1 216 26 26 ARG CG C 27.981 0.300 1 217 26 26 ARG CD C 43.360 0.300 1 218 26 26 ARG N N 119.480 0.300 1 219 27 27 GLU H H 7.615 0.030 1 220 27 27 GLU HA H 4.258 0.030 1 221 27 27 GLU HB2 H 2.097 0.030 1 222 27 27 GLU HB3 H 2.097 0.030 1 223 27 27 GLU HG2 H 2.458 0.030 2 224 27 27 GLU HG3 H 2.241 0.030 2 225 27 27 GLU C C 178.411 0.300 1 226 27 27 GLU CA C 58.560 0.300 1 227 27 27 GLU CB C 28.825 0.300 1 228 27 27 GLU CG C 34.903 0.300 1 229 27 27 GLU N N 120.488 0.300 1 230 28 28 ILE H H 8.567 0.030 1 231 28 28 ILE HA H 3.446 0.030 1 232 28 28 ILE HB H 1.848 0.030 1 233 28 28 ILE HG12 H 1.881 0.030 2 234 28 28 ILE HG13 H 0.711 0.030 2 235 28 28 ILE HG2 H 0.626 0.030 1 236 28 28 ILE HD1 H 0.669 0.030 1 237 28 28 ILE C C 177.631 0.300 1 238 28 28 ILE CA C 66.009 0.300 1 239 28 28 ILE CB C 38.341 0.300 1 240 28 28 ILE CG1 C 30.251 0.300 1 241 28 28 ILE CG2 C 19.278 0.300 1 242 28 28 ILE CD1 C 14.685 0.300 1 243 28 28 ILE N N 119.691 0.300 1 244 29 29 ARG H H 8.240 0.030 1 245 29 29 ARG HA H 3.355 0.030 1 246 29 29 ARG HB2 H 1.835 0.030 1 247 29 29 ARG HB3 H 1.835 0.030 1 248 29 29 ARG HG2 H 1.817 0.030 2 249 29 29 ARG HG3 H 0.836 0.030 2 250 29 29 ARG HD2 H 3.343 0.030 2 251 29 29 ARG HD3 H 3.294 0.030 2 252 29 29 ARG C C 179.314 0.300 1 253 29 29 ARG CA C 61.146 0.300 1 254 29 29 ARG CB C 30.431 0.300 1 255 29 29 ARG CG C 29.334 0.300 1 256 29 29 ARG CD C 43.554 0.300 1 257 29 29 ARG N N 117.193 0.300 1 258 30 30 LYS H H 7.637 0.030 1 259 30 30 LYS HA H 4.093 0.030 1 260 30 30 LYS HB2 H 2.146 0.030 2 261 30 30 LYS HB3 H 2.021 0.030 2 262 30 30 LYS HG2 H 1.650 0.030 2 263 30 30 LYS HG3 H 1.390 0.030 2 264 30 30 LYS HD2 H 1.776 0.030 1 265 30 30 LYS HD3 H 1.776 0.030 1 266 30 30 LYS HE2 H 2.987 0.030 1 267 30 30 LYS HE3 H 2.987 0.030 1 268 30 30 LYS C C 179.436 0.300 1 269 30 30 LYS CA C 59.947 0.300 1 270 30 30 LYS CB C 32.367 0.300 1 271 30 30 LYS CG C 24.559 0.300 1 272 30 30 LYS CD C 29.692 0.300 1 273 30 30 LYS CE C 41.989 0.300 1 274 30 30 LYS N N 120.687 0.300 1 275 31 31 VAL H H 8.088 0.030 1 276 31 31 VAL HA H 3.833 0.030 1 277 31 31 VAL HB H 2.052 0.030 1 278 31 31 VAL HG1 H 1.130 0.030 1 279 31 31 VAL HG2 H 1.110 0.030 1 280 31 31 VAL C C 179.741 0.300 1 281 31 31 VAL CA C 66.553 0.300 1 282 31 31 VAL CB C 32.249 0.300 1 283 31 31 VAL CG1 C 24.397 0.300 2 284 31 31 VAL CG2 C 23.358 0.300 2 285 31 31 VAL N N 121.858 0.300 1 286 32 32 LEU H H 8.973 0.030 1 287 32 32 LEU HA H 4.125 0.030 1 288 32 32 LEU HB2 H 1.899 0.030 2 289 32 32 LEU HB3 H 1.364 0.030 2 290 32 32 LEU HG H 1.839 0.030 1 291 32 32 LEU HD1 H 0.506 0.030 1 292 32 32 LEU HD2 H 1.093 0.030 1 293 32 32 LEU C C 180.595 0.300 1 294 32 32 LEU CA C 58.820 0.300 1 295 32 32 LEU CB C 41.925 0.300 1 296 32 32 LEU CG C 27.211 0.300 1 297 32 32 LEU CD1 C 28.439 0.300 2 298 32 32 LEU CD2 C 23.512 0.300 2 299 32 32 LEU N N 122.679 0.300 1 300 33 33 GLY H H 8.354 0.030 1 301 33 33 GLY HA2 H 4.249 0.030 2 302 33 33 GLY HA3 H 4.200 0.030 2 303 33 33 GLY C C 177.728 0.300 1 304 33 33 GLY CA C 47.594 0.300 1 305 33 33 GLY N N 106.759 0.300 1 306 34 34 ALA H H 8.200 0.030 1 307 34 34 ALA HA H 4.368 0.030 1 308 34 34 ALA HB H 1.610 0.030 1 309 34 34 ALA C C 178.362 0.300 1 310 34 34 ALA CA C 54.256 0.300 1 311 34 34 ALA CB C 18.649 0.300 1 312 34 34 ALA N N 124.472 0.300 1 313 35 35 ASN H H 7.550 0.030 1 314 35 35 ASN HA H 4.808 0.030 1 315 35 35 ASN HB2 H 2.919 0.030 2 316 35 35 ASN HB3 H 2.613 0.030 2 317 35 35 ASN HD21 H 8.009 0.030 2 318 35 35 ASN HD22 H 7.715 0.030 2 319 35 35 ASN C C 173.325 0.300 1 320 35 35 ASN CA C 54.115 0.300 1 321 35 35 ASN CB C 41.101 0.300 1 322 35 35 ASN N N 115.049 0.300 1 323 35 35 ASN ND2 N 116.378 0.300 1 324 36 36 ASN H H 8.232 0.030 1 325 36 36 ASN HA H 4.633 0.030 1 326 36 36 ASN HB2 H 3.277 0.030 2 327 36 36 ASN HB3 H 3.071 0.030 2 328 36 36 ASN HD21 H 7.718 0.030 2 329 36 36 ASN HD22 H 6.928 0.030 2 330 36 36 ASN C C 174.935 0.300 1 331 36 36 ASN CA C 55.049 0.300 1 332 36 36 ASN CB C 37.311 0.300 1 333 36 36 ASN N N 114.137 0.300 1 334 36 36 ASN ND2 N 112.714 0.300 1 335 37 37 CYS H H 8.249 0.030 1 336 37 37 CYS HA H 5.280 0.030 1 337 37 37 CYS HB2 H 3.061 0.030 2 338 37 37 CYS HB3 H 2.706 0.030 2 339 37 37 CYS C C 174.727 0.300 1 340 37 37 CYS CA C 58.308 0.300 1 341 37 37 CYS CB C 29.483 0.300 1 342 37 37 CYS N N 115.006 0.300 1 343 38 38 ASP H H 8.531 0.030 1 344 38 38 ASP HA H 4.833 0.030 1 345 38 38 ASP HB2 H 2.629 0.030 2 346 38 38 ASP HB3 H 2.470 0.030 2 347 38 38 ASP C C 175.106 0.300 1 348 38 38 ASP CA C 53.780 0.300 1 349 38 38 ASP CB C 42.749 0.300 1 350 38 38 ASP N N 124.472 0.300 1 351 39 39 TYR H H 7.933 0.030 1 352 39 39 TYR HA H 5.824 0.030 1 353 39 39 TYR HB2 H 2.879 0.030 2 354 39 39 TYR HB3 H 2.677 0.030 2 355 39 39 TYR HD1 H 6.712 0.030 1 356 39 39 TYR HD2 H 6.712 0.030 1 357 39 39 TYR HE1 H 6.789 0.030 1 358 39 39 TYR HE2 H 6.789 0.030 1 359 39 39 TYR C C 174.081 0.300 1 360 39 39 TYR CA C 55.600 0.300 1 361 39 39 TYR CB C 41.759 0.300 1 362 39 39 TYR CD1 C 134.232 0.300 1 363 39 39 TYR CD2 C 134.232 0.300 1 364 39 39 TYR CE1 C 117.556 0.300 1 365 39 39 TYR CE2 C 117.556 0.300 1 366 39 39 TYR N N 115.249 0.300 1 367 40 40 GLU H H 9.233 0.030 1 368 40 40 GLU HA H 4.626 0.030 1 369 40 40 GLU HB2 H 2.104 0.030 2 370 40 40 GLU HB3 H 1.993 0.030 2 371 40 40 GLU HG2 H 2.303 0.030 2 372 40 40 GLU HG3 H 2.161 0.030 2 373 40 40 GLU C C 175.496 0.300 1 374 40 40 GLU CA C 54.467 0.300 1 375 40 40 GLU CB C 33.843 0.300 1 376 40 40 GLU CG C 36.056 0.300 1 377 40 40 GLU N N 119.045 0.300 1 378 41 41 GLN H H 9.420 0.030 1 379 41 41 GLN HA H 4.695 0.030 1 380 41 41 GLN HB2 H 2.199 0.030 2 381 41 41 GLN HB3 H 1.938 0.030 2 382 41 41 GLN HG2 H 2.367 0.030 2 383 41 41 GLN HG3 H 2.264 0.030 2 384 41 41 GLN HE21 H 7.389 0.030 2 385 41 41 GLN HE22 H 6.317 0.030 2 386 41 41 GLN C C 175.362 0.300 1 387 41 41 GLN CA C 56.141 0.300 1 388 41 41 GLN CB C 28.042 0.300 1 389 41 41 GLN CG C 33.832 0.300 1 390 41 41 GLN N N 127.563 0.300 1 391 41 41 GLN NE2 N 111.663 0.300 1 392 42 42 ARG H H 8.299 0.030 1 393 42 42 ARG HA H 4.410 0.030 1 394 42 42 ARG HB2 H 1.993 0.030 2 395 42 42 ARG HB3 H 1.603 0.030 2 396 42 42 ARG HG2 H 1.745 0.030 2 397 42 42 ARG HG3 H 1.592 0.030 2 398 42 42 ARG HD2 H 3.139 0.030 2 399 42 42 ARG HD3 H 3.065 0.030 2 400 42 42 ARG HE H 7.236 0.030 1 401 42 42 ARG C C 176.045 0.300 1 402 42 42 ARG CA C 57.252 0.300 1 403 42 42 ARG CB C 32.038 0.300 1 404 42 42 ARG CG C 27.522 0.300 1 405 42 42 ARG CD C 43.036 0.300 1 406 42 42 ARG N N 128.408 0.300 1 407 42 42 ARG NE N 83.482 0.300 1 408 43 43 GLU H H 8.336 0.030 1 409 43 43 GLU HA H 4.531 0.030 1 410 43 43 GLU HB2 H 2.380 0.030 2 411 43 43 GLU HB3 H 1.878 0.030 2 412 43 43 GLU HG2 H 2.456 0.030 2 413 43 43 GLU HG3 H 2.272 0.030 2 414 43 43 GLU C C 176.411 0.300 1 415 43 43 GLU CA C 54.431 0.300 1 416 43 43 GLU CB C 33.843 0.300 1 417 43 43 GLU CG C 36.386 0.300 1 418 43 43 GLU N N 116.364 0.300 1 419 44 44 ARG H H 8.863 0.030 1 420 44 44 ARG HA H 3.652 0.030 1 421 44 44 ARG HB2 H 1.520 0.030 2 422 44 44 ARG HB3 H 1.159 0.030 2 423 44 44 ARG HG2 H 1.173 0.030 2 424 44 44 ARG HG3 H 0.664 0.030 2 425 44 44 ARG HD2 H 2.936 0.030 1 426 44 44 ARG HD3 H 2.936 0.030 1 427 44 44 ARG C C 176.448 0.300 1 428 44 44 ARG CA C 60.387 0.300 1 429 44 44 ARG CB C 30.175 0.300 1 430 44 44 ARG CG C 26.611 0.300 1 431 44 44 ARG CD C 43.631 0.300 1 432 44 44 ARG N N 121.002 0.300 1 433 45 45 PHE H H 7.994 0.030 1 434 45 45 PHE HA H 5.368 0.030 1 435 45 45 PHE HB2 H 3.957 0.030 2 436 45 45 PHE HB3 H 2.948 0.030 2 437 45 45 PHE HD1 H 7.263 0.030 1 438 45 45 PHE HD2 H 7.263 0.030 1 439 45 45 PHE HE1 H 7.176 0.030 1 440 45 45 PHE HE2 H 7.176 0.030 1 441 45 45 PHE HZ H 7.216 0.030 1 442 45 45 PHE C C 173.508 0.300 1 443 45 45 PHE CA C 55.381 0.300 1 444 45 45 PHE CB C 39.555 0.300 1 445 45 45 PHE CD1 C 131.954 0.300 1 446 45 45 PHE CD2 C 131.954 0.300 1 447 45 45 PHE CE1 C 131.566 0.300 1 448 45 45 PHE CE2 C 131.566 0.300 1 449 45 45 PHE CZ C 129.088 0.300 1 450 45 45 PHE N N 111.722 0.300 1 451 46 46 LEU H H 7.103 0.030 1 452 46 46 LEU HA H 5.394 0.030 1 453 46 46 LEU HB2 H 1.623 0.030 2 454 46 46 LEU HB3 H 1.465 0.030 2 455 46 46 LEU HG H 1.452 0.030 1 456 46 46 LEU HD1 H 0.984 0.030 1 457 46 46 LEU HD2 H 0.868 0.030 1 458 46 46 LEU C C 175.106 0.300 1 459 46 46 LEU CA C 55.137 0.300 1 460 46 46 LEU CB C 47.364 0.300 1 461 46 46 LEU CG C 28.340 0.300 1 462 46 46 LEU CD1 C 24.818 0.300 2 463 46 46 LEU CD2 C 25.715 0.300 2 464 46 46 LEU N N 119.153 0.300 1 465 47 47 LEU H H 9.237 0.030 1 466 47 47 LEU HA H 5.223 0.030 1 467 47 47 LEU HB2 H 1.397 0.030 2 468 47 47 LEU HB3 H 1.257 0.030 2 469 47 47 LEU HG H 1.437 0.030 1 470 47 47 LEU HD1 H 0.518 0.030 1 471 47 47 LEU HD2 H 0.710 0.030 1 472 47 47 LEU C C 174.984 0.300 1 473 47 47 LEU CA C 53.075 0.300 1 474 47 47 LEU CB C 45.998 0.300 1 475 47 47 LEU CG C 26.987 0.300 1 476 47 47 LEU CD1 C 26.909 0.300 2 477 47 47 LEU CD2 C 24.082 0.300 2 478 47 47 LEU N N 125.372 0.300 1 479 48 48 PHE H H 9.053 0.030 1 480 48 48 PHE HA H 4.896 0.030 1 481 48 48 PHE HB2 H 3.018 0.030 2 482 48 48 PHE HB3 H 2.892 0.030 2 483 48 48 PHE HD1 H 7.082 0.030 1 484 48 48 PHE HD2 H 7.082 0.030 1 485 48 48 PHE HE1 H 7.163 0.030 1 486 48 48 PHE HE2 H 7.163 0.030 1 487 48 48 PHE HZ H 7.141 0.030 1 488 48 48 PHE C C 174.520 0.300 1 489 48 48 PHE CA C 57.551 0.300 1 490 48 48 PHE CB C 41.513 0.300 1 491 48 48 PHE CD1 C 131.210 0.300 1 492 48 48 PHE CD2 C 131.210 0.300 1 493 48 48 PHE CE1 C 131.072 0.300 1 494 48 48 PHE CE2 C 131.072 0.300 1 495 48 48 PHE CZ C 129.661 0.300 1 496 48 48 PHE N N 124.181 0.300 1 497 49 49 CYS H H 8.556 0.030 1 498 49 49 CYS HA H 4.796 0.030 1 499 49 49 CYS HB2 H 1.045 0.030 2 500 49 49 CYS HB3 H 0.213 0.030 2 501 49 49 CYS C C 171.837 0.300 1 502 49 49 CYS CA C 57.180 0.300 1 503 49 49 CYS CB C 29.566 0.300 1 504 49 49 CYS N N 125.782 0.300 1 505 50 50 VAL H H 8.401 0.030 1 506 50 50 VAL HA H 5.118 0.030 1 507 50 50 VAL HB H 1.919 0.030 1 508 50 50 VAL HG1 H 1.005 0.030 1 509 50 50 VAL HG2 H 0.917 0.030 1 510 50 50 VAL C C 174.667 0.300 1 511 50 50 VAL CA C 60.476 0.300 1 512 50 50 VAL CB C 35.987 0.300 1 513 50 50 VAL CG1 C 21.578 0.300 2 514 50 50 VAL CG2 C 21.959 0.300 2 515 50 50 VAL N N 118.894 0.300 1 516 51 51 HIS H H 9.070 0.030 1 517 51 51 HIS HA H 5.163 0.030 1 518 51 51 HIS HB2 H 3.980 0.030 2 519 51 51 HIS HB3 H 3.205 0.030 2 520 51 51 HIS HD2 H 7.755 0.030 1 521 51 51 HIS HE1 H 8.547 0.030 1 522 51 51 HIS C C 172.496 0.300 1 523 51 51 HIS CA C 56.927 0.300 1 524 51 51 HIS CB C 33.219 0.300 1 525 51 51 HIS CD2 C 122.211 0.300 1 526 51 51 HIS CE1 C 136.847 0.300 1 527 51 51 HIS N N 123.145 0.300 1 528 52 52 GLY H H 7.995 0.030 1 529 52 52 GLY HA2 H 4.122 0.030 1 530 52 52 GLY HA3 H 4.122 0.030 1 531 52 52 GLY C C 172.068 0.300 1 532 52 52 GLY CA C 44.898 0.300 1 533 52 52 GLY N N 112.519 0.300 1 534 53 53 ASP H H 8.569 0.030 1 535 53 53 ASP HA H 4.708 0.030 1 536 53 53 ASP HB2 H 3.015 0.030 2 537 53 53 ASP HB3 H 2.608 0.030 2 538 53 53 ASP C C 177.033 0.300 1 539 53 53 ASP CA C 53.128 0.300 1 540 53 53 ASP CB C 42.131 0.300 1 541 53 53 ASP N N 118.695 0.300 1 542 54 54 GLY H H 8.436 0.030 1 543 54 54 GLY HA2 H 4.156 0.030 2 544 54 54 GLY HA3 H 3.683 0.030 2 545 54 54 GLY C C 174.606 0.300 1 546 54 54 GLY CA C 45.375 0.300 1 547 54 54 GLY N N 109.095 0.300 1 548 55 55 HIS H H 8.512 0.030 1 549 55 55 HIS HA H 4.808 0.030 1 550 55 55 HIS HB2 H 3.403 0.030 2 551 55 55 HIS HB3 H 3.317 0.030 2 552 55 55 HIS HD2 H 7.251 0.030 1 553 55 55 HIS HE1 H 8.464 0.030 1 554 55 55 HIS C C 176.057 0.300 1 555 55 55 HIS CA C 55.330 0.300 1 556 55 55 HIS CB C 28.495 0.300 1 557 55 55 HIS CD2 C 120.197 0.300 1 558 55 55 HIS CE1 C 136.539 0.300 1 559 55 55 HIS N N 119.348 0.300 1 560 56 56 ALA H H 9.149 0.030 1 561 56 56 ALA HA H 4.166 0.030 1 562 56 56 ALA HB H 1.528 0.030 1 563 56 56 ALA C C 178.789 0.300 1 564 56 56 ALA CA C 55.189 0.300 1 565 56 56 ALA CB C 18.670 0.300 1 566 56 56 ALA N N 129.850 0.300 1 567 57 57 GLU H H 9.493 0.030 1 568 57 57 GLU HA H 4.332 0.030 1 569 57 57 GLU HB2 H 2.143 0.030 2 570 57 57 GLU HB3 H 2.079 0.030 2 571 57 57 GLU HG2 H 2.358 0.030 2 572 57 57 GLU HG3 H 2.287 0.030 2 573 57 57 GLU C C 177.387 0.300 1 574 57 57 GLU CA C 58.026 0.300 1 575 57 57 GLU CB C 28.660 0.300 1 576 57 57 GLU CG C 35.966 0.300 1 577 57 57 GLU N N 115.822 0.300 1 578 58 58 ASN H H 8.178 0.030 1 579 58 58 ASN HA H 4.896 0.030 1 580 58 58 ASN HB2 H 3.131 0.030 2 581 58 58 ASN HB3 H 3.032 0.030 2 582 58 58 ASN HD21 H 8.569 0.030 2 583 58 58 ASN HD22 H 6.861 0.030 2 584 58 58 ASN C C 173.972 0.300 1 585 58 58 ASN CA C 52.494 0.300 1 586 58 58 ASN CB C 38.711 0.300 1 587 58 58 ASN N N 118.990 0.300 1 588 58 58 ASN ND2 N 113.700 0.300 1 589 59 59 LEU H H 7.437 0.030 1 590 59 59 LEU HA H 4.871 0.030 1 591 59 59 LEU HB2 H 1.884 0.030 2 592 59 59 LEU HB3 H 1.547 0.030 2 593 59 59 LEU HG H 1.525 0.030 1 594 59 59 LEU HD1 H 0.904 0.030 1 595 59 59 LEU HD2 H 0.894 0.030 1 596 59 59 LEU C C 177.753 0.300 1 597 59 59 LEU CA C 56.353 0.300 1 598 59 59 LEU CB C 42.296 0.300 1 599 59 59 LEU CG C 27.534 0.300 1 600 59 59 LEU CD1 C 25.321 0.300 2 601 59 59 LEU CD2 C 23.998 0.300 2 602 59 59 LEU N N 122.974 0.300 1 603 60 60 VAL H H 9.387 0.030 1 604 60 60 VAL HA H 4.921 0.030 1 605 60 60 VAL HB H 2.275 0.030 1 606 60 60 VAL HG1 H 1.393 0.030 1 607 60 60 VAL HG2 H 1.206 0.030 1 608 60 60 VAL C C 173.935 0.300 1 609 60 60 VAL CA C 60.776 0.300 1 610 60 60 VAL CB C 35.685 0.300 1 611 60 60 VAL CG1 C 22.462 0.300 2 612 60 60 VAL CG2 C 22.574 0.300 2 613 60 60 VAL N N 129.228 0.300 1 614 61 61 GLN H H 8.511 0.030 1 615 61 61 GLN HA H 5.832 0.030 1 616 61 61 GLN HB2 H 2.135 0.030 2 617 61 61 GLN HB3 H 1.995 0.030 2 618 61 61 GLN HG2 H 2.327 0.030 1 619 61 61 GLN HG3 H 2.327 0.030 1 620 61 61 GLN HE21 H 7.264 0.030 2 621 61 61 GLN HE22 H 7.018 0.030 2 622 61 61 GLN C C 176.374 0.300 1 623 61 61 GLN CA C 53.709 0.300 1 624 61 61 GLN CB C 32.329 0.300 1 625 61 61 GLN CG C 34.409 0.300 1 626 61 61 GLN N N 122.081 0.300 1 627 61 61 GLN NE2 N 111.009 0.300 1 628 62 62 TRP H H 9.372 0.030 1 629 62 62 TRP HA H 5.365 0.030 1 630 62 62 TRP HB2 H 3.566 0.030 2 631 62 62 TRP HB3 H 3.488 0.030 2 632 62 62 TRP HD1 H 7.197 0.030 1 633 62 62 TRP HE1 H 8.792 0.030 1 634 62 62 TRP HE3 H 7.314 0.030 1 635 62 62 TRP HZ2 H 7.141 0.030 1 636 62 62 TRP HZ3 H 7.098 0.030 1 637 62 62 TRP HH2 H 7.264 0.030 1 638 62 62 TRP C C 171.495 0.300 1 639 62 62 TRP CA C 57.393 0.300 1 640 62 62 TRP CB C 33.604 0.300 1 641 62 62 TRP CD1 C 126.998 0.300 1 642 62 62 TRP CE3 C 123.146 0.300 1 643 62 62 TRP CZ2 C 113.081 0.300 1 644 62 62 TRP CZ3 C 121.996 0.300 1 645 62 62 TRP CH2 C 125.158 0.300 1 646 62 62 TRP N N 124.846 0.300 1 647 62 62 TRP NE1 N 125.616 0.300 1 648 63 63 GLU H H 9.324 0.030 1 649 63 63 GLU HA H 5.501 0.030 1 650 63 63 GLU HB2 H 2.062 0.030 2 651 63 63 GLU HB3 H 2.000 0.030 2 652 63 63 GLU HG2 H 2.372 0.030 2 653 63 63 GLU HG3 H 2.339 0.030 2 654 63 63 GLU C C 177.496 0.300 1 655 63 63 GLU CA C 53.780 0.300 1 656 63 63 GLU CB C 33.750 0.300 1 657 63 63 GLU CG C 37.292 0.300 1 658 63 63 GLU N N 118.296 0.300 1 659 64 64 MET H H 9.066 0.030 1 660 64 64 MET HA H 5.583 0.030 1 661 64 64 MET HB2 H 1.650 0.030 2 662 64 64 MET HB3 H 1.527 0.030 2 663 64 64 MET HG2 H 2.449 0.030 2 664 64 64 MET HG3 H 1.974 0.030 2 665 64 64 MET HE H 1.527 0.030 1 666 64 64 MET C C 173.130 0.300 1 667 64 64 MET CA C 54.680 0.300 1 668 64 64 MET CB C 37.064 0.300 1 669 64 64 MET CG C 32.267 0.300 1 670 64 64 MET CE C 17.965 0.300 1 671 64 64 MET N N 118.531 0.300 1 672 65 65 GLU H H 8.814 0.030 1 673 65 65 GLU HA H 5.667 0.030 1 674 65 65 GLU HB2 H 1.848 0.030 2 675 65 65 GLU HB3 H 1.766 0.030 2 676 65 65 GLU HG2 H 2.239 0.030 2 677 65 65 GLU HG3 H 1.992 0.030 2 678 65 65 GLU C C 175.520 0.300 1 679 65 65 GLU CA C 53.498 0.300 1 680 65 65 GLU CB C 35.329 0.300 1 681 65 65 GLU CG C 35.907 0.300 1 682 65 65 GLU N N 123.336 0.300 1 683 66 66 VAL H H 8.145 0.030 1 684 66 66 VAL HA H 4.934 0.030 1 685 66 66 VAL HB H 1.964 0.030 1 686 66 66 VAL HG1 H 0.806 0.030 1 687 66 66 VAL HG2 H 0.910 0.030 1 688 66 66 VAL C C 175.143 0.300 1 689 66 66 VAL CA C 61.744 0.300 1 690 66 66 VAL CB C 32.621 0.300 1 691 66 66 VAL CG1 C 21.802 0.300 2 692 66 66 VAL CG2 C 23.322 0.300 2 693 66 66 VAL N N 125.069 0.300 1 694 67 67 CYS H H 8.858 0.030 1 695 67 67 CYS HA H 4.833 0.030 1 696 67 67 CYS HB2 H 2.770 0.030 2 697 67 67 CYS HB3 H 2.688 0.030 2 698 67 67 CYS C C 172.679 0.300 1 699 67 67 CYS CA C 55.119 0.300 1 700 67 67 CYS CB C 31.641 0.300 1 701 67 67 CYS N N 124.073 0.300 1 702 68 68 LYS H H 8.522 0.030 1 703 68 68 LYS HA H 4.695 0.030 1 704 68 68 LYS HB2 H 1.726 0.030 1 705 68 68 LYS HB3 H 1.726 0.030 1 706 68 68 LYS HG2 H 1.412 0.030 1 707 68 68 LYS HG3 H 1.412 0.030 1 708 68 68 LYS HD2 H 1.674 0.030 1 709 68 68 LYS HD3 H 1.674 0.030 1 710 68 68 LYS HE2 H 2.969 0.030 1 711 68 68 LYS HE3 H 2.969 0.030 1 712 68 68 LYS C C 176.801 0.300 1 713 68 68 LYS CA C 56.335 0.300 1 714 68 68 LYS CB C 33.067 0.300 1 715 68 68 LYS CG C 24.522 0.300 1 716 68 68 LYS CD C 28.769 0.300 1 717 68 68 LYS CE C 42.421 0.300 1 718 68 68 LYS N N 123.340 0.300 1 719 69 69 LEU H H 8.513 0.030 1 720 69 69 LEU HA H 4.721 0.030 1 721 69 69 LEU HB2 H 1.675 0.030 2 722 69 69 LEU HB3 H 1.451 0.030 2 723 69 69 LEU HG H 1.504 0.030 1 724 69 69 LEU HD1 H 0.739 0.030 1 725 69 69 LEU HD2 H 0.757 0.030 1 726 69 69 LEU C C 175.447 0.300 1 727 69 69 LEU CA C 52.660 0.300 1 728 69 69 LEU CB C 40.796 0.300 1 729 69 69 LEU CG C 27.750 0.300 1 730 69 69 LEU CD1 C 25.914 0.300 2 731 69 69 LEU CD2 C 23.621 0.300 2 732 69 69 LEU N N 126.675 0.300 1 733 70 70 PRO HA H 4.313 0.030 1 734 70 70 PRO HB2 H 2.335 0.030 2 735 70 70 PRO HB3 H 1.959 0.030 2 736 70 70 PRO HG2 H 2.084 0.030 2 737 70 70 PRO HG3 H 2.012 0.030 2 738 70 70 PRO HD2 H 3.742 0.030 1 739 70 70 PRO HD3 H 3.742 0.030 1 740 70 70 PRO C C 178.228 0.300 1 741 70 70 PRO CA C 64.529 0.300 1 742 70 70 PRO CB C 31.937 0.300 1 743 70 70 PRO CG C 27.616 0.300 1 744 70 70 PRO CD C 50.708 0.300 1 745 71 71 ARG H H 8.483 0.030 1 746 71 71 ARG HA H 4.107 0.030 1 747 71 71 ARG HB2 H 1.949 0.030 1 748 71 71 ARG HB3 H 1.949 0.030 1 749 71 71 ARG HG2 H 1.623 0.030 1 750 71 71 ARG HG3 H 1.623 0.030 1 751 71 71 ARG HD2 H 3.230 0.030 1 752 71 71 ARG HD3 H 3.230 0.030 1 753 71 71 ARG C C 176.350 0.300 1 754 71 71 ARG CA C 58.044 0.300 1 755 71 71 ARG CB C 29.566 0.300 1 756 71 71 ARG CG C 27.772 0.300 1 757 71 71 ARG CD C 43.224 0.300 1 758 71 71 ARG N N 115.906 0.300 1 759 72 72 LEU H H 7.612 0.030 1 760 72 72 LEU HA H 4.512 0.030 1 761 72 72 LEU HB2 H 1.567 0.030 1 762 72 72 LEU HB3 H 1.567 0.030 1 763 72 72 LEU HG H 1.619 0.030 1 764 72 72 LEU HD1 H 0.902 0.030 1 765 72 72 LEU HD2 H 0.886 0.030 1 766 72 72 LEU C C 176.484 0.300 1 767 72 72 LEU CA C 54.353 0.300 1 768 72 72 LEU CB C 44.435 0.300 1 769 72 72 LEU CG C 26.940 0.300 1 770 72 72 LEU CD1 C 25.602 0.300 2 771 72 72 LEU CD2 C 22.818 0.300 2 772 72 72 LEU N N 118.145 0.300 1 773 73 73 SER H H 8.229 0.030 1 774 73 73 SER HA H 4.238 0.030 1 775 73 73 SER HB2 H 4.042 0.030 2 776 73 73 SER HB3 H 3.980 0.030 2 777 73 73 SER C C 173.764 0.300 1 778 73 73 SER CA C 58.414 0.300 1 779 73 73 SER CB C 62.028 0.300 1 780 73 73 SER N N 113.563 0.300 1 781 74 74 LEU H H 7.052 0.030 1 782 74 74 LEU HA H 4.623 0.030 1 783 74 74 LEU HB2 H 1.509 0.030 2 784 74 74 LEU HB3 H 1.394 0.030 2 785 74 74 LEU HG H 1.618 0.030 1 786 74 74 LEU HD1 H 0.858 0.030 1 787 74 74 LEU HD2 H 0.836 0.030 1 788 74 74 LEU C C 174.739 0.300 1 789 74 74 LEU CA C 53.427 0.300 1 790 74 74 LEU CB C 46.911 0.300 1 791 74 74 LEU CG C 26.389 0.300 1 792 74 74 LEU CD1 C 25.518 0.300 2 793 74 74 LEU CD2 C 23.398 0.300 2 794 74 74 LEU N N 118.201 0.300 1 795 75 75 ASN H H 8.631 0.030 1 796 75 75 ASN HA H 5.458 0.030 1 797 75 75 ASN HB2 H 2.584 0.030 2 798 75 75 ASN HB3 H 2.288 0.030 2 799 75 75 ASN HD21 H 7.323 0.030 2 800 75 75 ASN HD22 H 6.793 0.030 2 801 75 75 ASN C C 174.545 0.300 1 802 75 75 ASN CA C 52.335 0.300 1 803 75 75 ASN CB C 42.336 0.300 1 804 75 75 ASN N N 117.324 0.300 1 805 75 75 ASN ND2 N 114.986 0.300 1 806 76 76 GLY H H 9.233 0.030 1 807 76 76 GLY HA2 H 4.946 0.030 2 808 76 76 GLY HA3 H 3.735 0.030 2 809 76 76 GLY C C 171.751 0.300 1 810 76 76 GLY CA C 44.634 0.300 1 811 76 76 GLY N N 107.518 0.300 1 812 77 77 VAL H H 8.278 0.030 1 813 77 77 VAL HA H 4.895 0.030 1 814 77 77 VAL HB H 1.993 0.030 1 815 77 77 VAL HG1 H 0.545 0.030 1 816 77 77 VAL HG2 H 0.757 0.030 1 817 77 77 VAL C C 174.630 0.300 1 818 77 77 VAL CA C 60.987 0.300 1 819 77 77 VAL CB C 33.627 0.300 1 820 77 77 VAL CG1 C 21.853 0.300 2 821 77 77 VAL CG2 C 22.156 0.300 2 822 77 77 VAL N N 118.261 0.300 1 823 78 78 ARG H H 9.191 0.030 1 824 78 78 ARG HA H 5.417 0.030 1 825 78 78 ARG HB2 H 1.854 0.030 2 826 78 78 ARG HB3 H 1.763 0.030 2 827 78 78 ARG HG2 H 1.489 0.030 1 828 78 78 ARG HG3 H 1.489 0.030 1 829 78 78 ARG HD2 H 2.889 0.030 2 830 78 78 ARG HD3 H 2.810 0.030 2 831 78 78 ARG C C 175.143 0.300 1 832 78 78 ARG CA C 54.344 0.300 1 833 78 78 ARG CB C 34.097 0.300 1 834 78 78 ARG CG C 26.478 0.300 1 835 78 78 ARG CD C 44.048 0.300 1 836 78 78 ARG N N 125.818 0.300 1 837 79 79 PHE H H 9.334 0.030 1 838 79 79 PHE HA H 5.862 0.030 1 839 79 79 PHE HB2 H 3.454 0.030 2 840 79 79 PHE HB3 H 2.988 0.030 2 841 79 79 PHE HD1 H 7.289 0.030 1 842 79 79 PHE HD2 H 7.289 0.030 1 843 79 79 PHE HE1 H 7.145 0.030 1 844 79 79 PHE HE2 H 7.145 0.030 1 845 79 79 PHE HZ H 6.959 0.030 1 846 79 79 PHE C C 176.045 0.300 1 847 79 79 PHE CA C 56.634 0.300 1 848 79 79 PHE CB C 43.407 0.300 1 849 79 79 PHE CD1 C 132.271 0.300 1 850 79 79 PHE CD2 C 132.271 0.300 1 851 79 79 PHE CE1 C 130.772 0.300 1 852 79 79 PHE CE2 C 130.772 0.300 1 853 79 79 PHE CZ C 129.305 0.300 1 854 79 79 PHE N N 121.822 0.300 1 855 80 80 LYS H H 9.365 0.030 1 856 80 80 LYS HA H 4.783 0.030 1 857 80 80 LYS HB2 H 1.388 0.030 1 858 80 80 LYS HB3 H 1.388 0.030 1 859 80 80 LYS HG2 H 1.089 0.030 2 860 80 80 LYS HG3 H 1.004 0.030 2 861 80 80 LYS HD2 H 1.355 0.030 2 862 80 80 LYS HD3 H 1.247 0.030 2 863 80 80 LYS HE2 H 2.573 0.030 2 864 80 80 LYS HE3 H 2.449 0.030 2 865 80 80 LYS C C 174.801 0.300 1 866 80 80 LYS CA C 55.401 0.300 1 867 80 80 LYS CB C 35.869 0.300 1 868 80 80 LYS CG C 24.218 0.300 1 869 80 80 LYS CD C 29.383 0.300 1 870 80 80 LYS CE C 41.741 0.300 1 871 80 80 LYS N N 123.077 0.300 1 872 81 81 ARG H H 8.722 0.030 1 873 81 81 ARG HA H 3.535 0.030 1 874 81 81 ARG HB2 H 1.240 0.030 2 875 81 81 ARG HB3 H -0.221 0.030 2 876 81 81 ARG HG2 H 1.068 0.030 2 877 81 81 ARG HG3 H 0.929 0.030 2 878 81 81 ARG HD2 H 2.920 0.030 2 879 81 81 ARG HD3 H 2.416 0.030 2 880 81 81 ARG C C 174.557 0.300 1 881 81 81 ARG CA C 58.587 0.300 1 882 81 81 ARG CB C 29.919 0.300 1 883 81 81 ARG CG C 26.839 0.300 1 884 81 81 ARG CD C 42.717 0.300 1 885 81 81 ARG N N 130.249 0.300 1 886 82 82 ILE H H 8.984 0.030 1 887 82 82 ILE HA H 4.340 0.030 1 888 82 82 ILE HB H 1.698 0.030 1 889 82 82 ILE HG12 H 1.541 0.030 1 890 82 82 ILE HG13 H 1.541 0.030 1 891 82 82 ILE HG2 H 1.054 0.030 1 892 82 82 ILE HD1 H 0.799 0.030 1 893 82 82 ILE C C 175.935 0.300 1 894 82 82 ILE CA C 60.811 0.300 1 895 82 82 ILE CB C 38.176 0.300 1 896 82 82 ILE CG1 C 27.241 0.300 1 897 82 82 ILE CG2 C 16.777 0.300 1 898 82 82 ILE CD1 C 10.681 0.300 1 899 82 82 ILE N N 127.165 0.300 1 900 83 83 SER H H 8.620 0.030 1 901 83 83 SER HA H 4.758 0.030 1 902 83 83 SER HB2 H 3.988 0.030 2 903 83 83 SER HB3 H 3.871 0.030 2 904 83 83 SER C C 172.801 0.300 1 905 83 83 SER CA C 58.168 0.300 1 906 83 83 SER CB C 65.488 0.300 1 907 83 83 SER N N 113.643 0.300 1 908 84 84 GLY H H 8.553 0.030 1 909 84 84 GLY HA2 H 5.017 0.030 2 910 84 84 GLY HA3 H 4.110 0.030 2 911 84 84 GLY C C 174.813 0.300 1 912 84 84 GLY CA C 43.559 0.300 1 913 84 84 GLY N N 110.129 0.300 1 914 85 85 THR H H 9.042 0.030 1 915 85 85 THR HA H 4.397 0.030 1 916 85 85 THR HB H 4.771 0.030 1 917 85 85 THR HG2 H 1.497 0.030 1 918 85 85 THR C C 175.569 0.300 1 919 85 85 THR CA C 61.797 0.300 1 920 85 85 THR CB C 70.390 0.300 1 921 85 85 THR CG2 C 22.149 0.300 1 922 85 85 THR N N 111.922 0.300 1 923 86 86 SER H H 8.969 0.030 1 924 86 86 SER HA H 3.980 0.030 1 925 86 86 SER HB2 H 4.111 0.030 2 926 86 86 SER HB3 H 4.001 0.030 2 927 86 86 SER C C 177.326 0.300 1 928 86 86 SER CB C 62.435 0.300 1 929 86 86 SER N N 117.137 0.300 1 930 87 87 ILE H H 7.967 0.030 1 931 87 87 ILE HA H 3.934 0.030 1 932 87 87 ILE HB H 1.786 0.030 1 933 87 87 ILE HG12 H 1.537 0.030 2 934 87 87 ILE HG13 H 1.271 0.030 2 935 87 87 ILE HG2 H 0.945 0.030 1 936 87 87 ILE HD1 H 0.920 0.030 1 937 87 87 ILE C C 176.716 0.300 1 938 87 87 ILE CA C 63.542 0.300 1 939 87 87 ILE CB C 38.227 0.300 1 940 87 87 ILE CG1 C 28.971 0.300 1 941 87 87 ILE CG2 C 17.423 0.300 1 942 87 87 ILE CD1 C 13.317 0.300 1 943 87 87 ILE N N 120.029 0.300 1 944 88 88 ALA H H 7.928 0.030 1 945 88 88 ALA HA H 4.126 0.030 1 946 88 88 ALA HB H 1.478 0.030 1 947 88 88 ALA C C 181.863 0.300 1 948 88 88 ALA CA C 55.312 0.300 1 949 88 88 ALA CB C 18.488 0.300 1 950 88 88 ALA N N 124.551 0.300 1 951 89 89 PHE H H 8.424 0.030 1 952 89 89 PHE HA H 4.101 0.030 1 953 89 89 PHE HB2 H 3.038 0.030 1 954 89 89 PHE HB3 H 3.038 0.030 1 955 89 89 PHE HD1 H 7.010 0.030 1 956 89 89 PHE HD2 H 7.010 0.030 1 957 89 89 PHE HE1 H 7.017 0.030 1 958 89 89 PHE HE2 H 7.017 0.030 1 959 89 89 PHE HZ H 6.983 0.030 1 960 89 89 PHE C C 174.618 0.300 1 961 89 89 PHE CA C 60.317 0.300 1 962 89 89 PHE CB C 38.928 0.300 1 963 89 89 PHE CD1 C 131.672 0.300 1 964 89 89 PHE CD2 C 131.672 0.300 1 965 89 89 PHE CE1 C 131.301 0.300 1 966 89 89 PHE CE2 C 131.301 0.300 1 967 89 89 PHE CZ C 129.504 0.300 1 968 89 89 PHE N N 118.420 0.300 1 969 90 90 LYS H H 8.498 0.030 1 970 90 90 LYS HA H 3.240 0.030 1 971 90 90 LYS HB2 H 1.837 0.030 2 972 90 90 LYS HB3 H 1.758 0.030 2 973 90 90 LYS HG2 H 1.457 0.030 2 974 90 90 LYS HG3 H 1.243 0.030 2 975 90 90 LYS HD2 H 1.556 0.030 1 976 90 90 LYS HD3 H 1.556 0.030 1 977 90 90 LYS HE2 H 2.859 0.030 1 978 90 90 LYS HE3 H 2.859 0.030 1 979 90 90 LYS C C 179.460 0.300 1 980 90 90 LYS CA C 59.648 0.300 1 981 90 90 LYS CB C 31.832 0.300 1 982 90 90 LYS CG C 25.181 0.300 1 983 90 90 LYS CD C 29.301 0.300 1 984 90 90 LYS CE C 42.071 0.300 1 985 90 90 LYS N N 119.655 0.300 1 986 91 91 ASN H H 8.075 0.030 1 987 91 91 ASN HA H 4.259 0.030 1 988 91 91 ASN HB2 H 2.772 0.030 2 989 91 91 ASN HB3 H 2.673 0.030 2 990 91 91 ASN HD21 H 7.553 0.030 2 991 91 91 ASN HD22 H 6.781 0.030 2 992 91 91 ASN C C 177.496 0.300 1 993 91 91 ASN CA C 56.095 0.300 1 994 91 91 ASN CB C 37.858 0.300 1 995 91 91 ASN N N 116.902 0.300 1 996 91 91 ASN ND2 N 111.396 0.300 1 997 92 92 ILE H H 7.368 0.030 1 998 92 92 ILE HA H 4.161 0.030 1 999 92 92 ILE HB H 1.499 0.030 1 1000 92 92 ILE HG12 H 0.802 0.030 1 1001 92 92 ILE HG13 H 0.802 0.030 1 1002 92 92 ILE HG2 H 0.298 0.030 1 1003 92 92 ILE HD1 H 0.347 0.030 1 1004 92 92 ILE C C 175.179 0.300 1 1005 92 92 ILE CA C 59.788 0.300 1 1006 92 92 ILE CB C 37.869 0.300 1 1007 92 92 ILE CG1 C 30.396 0.300 1 1008 92 92 ILE CG2 C 18.222 0.300 1 1009 92 92 ILE CD1 C 12.658 0.300 1 1010 92 92 ILE N N 119.257 0.300 1 1011 93 93 ALA H H 8.054 0.030 1 1012 93 93 ALA HA H 3.141 0.030 1 1013 93 93 ALA HB H -0.208 0.030 1 1014 93 93 ALA C C 178.972 0.300 1 1015 93 93 ALA CA C 54.802 0.300 1 1016 93 93 ALA CB C 16.796 0.300 1 1017 93 93 ALA N N 125.627 0.300 1 1018 94 94 SER H H 7.447 0.030 1 1019 94 94 SER HA H 3.748 0.030 1 1020 94 94 SER HB2 H 3.740 0.030 2 1021 94 94 SER HB3 H 3.664 0.030 2 1022 94 94 SER C C 175.618 0.300 1 1023 94 94 SER CA C 61.428 0.300 1 1024 94 94 SER CB C 62.651 0.300 1 1025 94 94 SER N N 109.870 0.300 1 1026 95 95 LYS H H 7.013 0.030 1 1027 95 95 LYS HA H 3.941 0.030 1 1028 95 95 LYS HB2 H 1.792 0.030 1 1029 95 95 LYS HB3 H 1.792 0.030 1 1030 95 95 LYS HG2 H 1.288 0.030 1 1031 95 95 LYS HG3 H 1.288 0.030 1 1032 95 95 LYS HD2 H 1.548 0.030 1 1033 95 95 LYS HD3 H 1.548 0.030 1 1034 95 95 LYS HE2 H 3.021 0.030 2 1035 95 95 LYS HE3 H 2.910 0.030 2 1036 95 95 LYS C C 177.936 0.300 1 1037 95 95 LYS CA C 59.701 0.300 1 1038 95 95 LYS CB C 33.369 0.300 1 1039 95 95 LYS CG C 25.181 0.300 1 1040 95 95 LYS CD C 29.301 0.300 1 1041 95 95 LYS CE C 42.331 0.300 1 1042 95 95 LYS N N 123.559 0.300 1 1043 96 96 ILE H H 7.844 0.030 1 1044 96 96 ILE HA H 3.474 0.030 1 1045 96 96 ILE HB H 2.059 0.030 1 1046 96 96 ILE HG12 H 1.533 0.030 1 1047 96 96 ILE HG13 H 1.533 0.030 1 1048 96 96 ILE HG2 H 0.993 0.030 1 1049 96 96 ILE HD1 H 0.916 0.030 1 1050 96 96 ILE C C 178.046 0.300 1 1051 96 96 ILE CA C 63.207 0.300 1 1052 96 96 ILE CB C 36.817 0.300 1 1053 96 96 ILE CG1 C 28.394 0.300 1 1054 96 96 ILE CG2 C 16.939 0.300 1 1055 96 96 ILE CD1 C 13.152 0.300 1 1056 96 96 ILE N N 115.567 0.300 1 1057 97 97 ALA H H 8.356 0.030 1 1058 97 97 ALA HA H 3.985 0.030 1 1059 97 97 ALA HB H 1.338 0.030 1 1060 97 97 ALA C C 179.631 0.300 1 1061 97 97 ALA CA C 55.701 0.300 1 1062 97 97 ALA CB C 18.279 0.300 1 1063 97 97 ALA N N 118.695 0.300 1 1064 98 98 ASN H H 7.949 0.030 1 1065 98 98 ASN HA H 4.507 0.030 1 1066 98 98 ASN HB2 H 2.971 0.030 2 1067 98 98 ASN HB3 H 2.844 0.030 2 1068 98 98 ASN HD21 H 7.598 0.030 2 1069 98 98 ASN HD22 H 6.854 0.030 2 1070 98 98 ASN C C 176.789 0.300 1 1071 98 98 ASN CA C 55.243 0.300 1 1072 98 98 ASN CB C 38.918 0.300 1 1073 98 98 ASN N N 113.456 0.300 1 1074 98 98 ASN ND2 N 112.781 0.300 1 1075 99 99 GLU H H 7.617 0.030 1 1076 99 99 GLU HA H 4.210 0.030 1 1077 99 99 GLU HB2 H 2.120 0.030 2 1078 99 99 GLU HB3 H 1.998 0.030 2 1079 99 99 GLU HG2 H 2.593 0.030 2 1080 99 99 GLU HG3 H 2.268 0.030 2 1081 99 99 GLU C C 176.545 0.300 1 1082 99 99 GLU CA C 56.758 0.300 1 1083 99 99 GLU CB C 30.719 0.300 1 1084 99 99 GLU CG C 37.029 0.300 1 1085 99 99 GLU N N 118.332 0.300 1 1086 100 100 LEU H H 7.352 0.030 1 1087 100 100 LEU HA H 4.230 0.030 1 1088 100 100 LEU HB2 H 2.004 0.030 2 1089 100 100 LEU HB3 H 1.266 0.030 2 1090 100 100 LEU HG H 2.253 0.030 1 1091 100 100 LEU HD1 H 0.877 0.030 1 1092 100 100 LEU HD2 H 0.815 0.030 1 1093 100 100 LEU C C 176.058 0.300 1 1094 100 100 LEU CA C 55.472 0.300 1 1095 100 100 LEU CB C 42.502 0.300 1 1096 100 100 LEU CG C 25.897 0.300 1 1097 100 100 LEU CD1 C 26.205 0.300 2 1098 100 100 LEU CD2 C 24.712 0.300 2 1099 100 100 LEU N N 120.288 0.300 1 1100 101 101 LYS H H 8.989 0.030 1 1101 101 101 LYS HA H 4.489 0.030 1 1102 101 101 LYS HB2 H 1.828 0.030 2 1103 101 101 LYS HB3 H 1.777 0.030 2 1104 101 101 LYS HG2 H 1.480 0.030 2 1105 101 101 LYS HG3 H 1.378 0.030 2 1106 101 101 LYS HD2 H 1.696 0.030 1 1107 101 101 LYS HD3 H 1.696 0.030 1 1108 101 101 LYS HE2 H 3.027 0.030 1 1109 101 101 LYS HE3 H 3.027 0.030 1 1110 101 101 LYS C C 174.764 0.300 1 1111 101 101 LYS CA C 55.310 0.300 1 1112 101 101 LYS CB C 30.533 0.300 1 1113 101 101 LYS CG C 24.243 0.300 1 1114 101 101 LYS CD C 28.835 0.300 1 1115 101 101 LYS CE C 42.421 0.300 1 1116 101 101 LYS N N 127.727 0.300 1 1117 102 102 LEU H H 7.674 0.030 1 1118 102 102 LEU HA H 4.559 0.030 1 1119 102 102 LEU HB2 H 1.734 0.030 2 1120 102 102 LEU HB3 H 1.673 0.030 2 1121 102 102 LEU HG H 1.508 0.030 1 1122 102 102 LEU HD1 H 0.847 0.030 1 1123 102 102 LEU HD2 H 0.884 0.030 1 1124 102 102 LEU C C 181.839 0.300 1 1125 102 102 LEU CA C 54.626 0.300 1 1126 102 102 LEU CB C 43.725 0.300 1 1127 102 102 LEU CG C 28.596 0.300 1 1128 102 102 LEU CD1 C 26.893 0.300 2 1129 102 102 LEU CD2 C 23.830 0.300 2 1130 102 102 LEU N N 127.774 0.300 1 stop_ save_