data_11075 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for N-terminal domain of kp60 ; _BMRB_accession_number 11075 _BMRB_flat_file_name bmr11075.str _Entry_type original _Submission_date 2009-08-05 _Accession_date 2009-08-06 _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 Iwaya Naoko . . 2 Kuwahara Yohta . . 3 Tenno Takeshi . . 4 Tochio Hidehito . . 5 Shirakawa Masahiro . . 6 Hiroaki Hidekazu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 478 "13C chemical shifts" 279 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-01 update BMRB 'update entry citation' 2010-04-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'A common substrate recognition mode conserved between katanin p60 and VPS4 governs microtubule severing and membrane skeleton reorganization.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20339000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Iwaya Naoko . . 2 Kuwahara Yohta . . 3 Fujiwara Yoshie . . 4 Goda Natsuko . . 5 Tenno Takeshi . . 6 Akiyama Kohei . . 7 Mase Shogo . . 8 Tochio Hidehito . . 9 Ikegami Takahisa . . 10 Shirakawa Masahiro . . 11 Hiroaki Hidekazu . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16822 _Page_last 16829 _Year 2010 _Details . loop_ _Keyword kp60 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name kp60 _Enzyme_commission_number 3.6.4.3 loop_ _Mol_system_component_name _Mol_label 'N-terminal domain of kp60' $kp60-NTD 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_kp60-NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'N-terminal domain of kp60' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSDHMTMSLQMIVENVKLAR EYALLGNYDSAMVYYQGVLD QMNKYLYSVKDTHLRQKWQQ VWQEINVEAKQVKDIMKT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 SER 3 -4 ASP 4 -3 HIS 5 -2 MET 6 -1 THR 7 1 MET 8 2 SER 9 3 LEU 10 4 GLN 11 5 MET 12 6 ILE 13 7 VAL 14 8 GLU 15 9 ASN 16 10 VAL 17 11 LYS 18 12 LEU 19 13 ALA 20 14 ARG 21 15 GLU 22 16 TYR 23 17 ALA 24 18 LEU 25 19 LEU 26 20 GLY 27 21 ASN 28 22 TYR 29 23 ASP 30 24 SER 31 25 ALA 32 26 MET 33 27 VAL 34 28 TYR 35 29 TYR 36 30 GLN 37 31 GLY 38 32 VAL 39 33 LEU 40 34 ASP 41 35 GLN 42 36 MET 43 37 ASN 44 38 LYS 45 39 TYR 46 40 LEU 47 41 TYR 48 42 SER 49 43 VAL 50 44 LYS 51 45 ASP 52 46 THR 53 47 HIS 54 48 LEU 55 49 ARG 56 50 GLN 57 51 LYS 58 52 TRP 59 53 GLN 60 54 GLN 61 55 VAL 62 56 TRP 63 57 GLN 64 58 GLU 65 59 ILE 66 60 ASN 67 61 VAL 68 62 GLU 69 63 ALA 70 64 LYS 71 65 GLN 72 66 VAL 73 67 LYS 74 68 ASP 75 69 ILE 76 70 MET 77 71 LYS 78 72 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-17 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 2RPA "The Solution Structure Of N-Terminal Domain Of Microtubule S Enzyme" 100.00 78 100.00 100.00 2.05e-48 GB AAD42087 "lipotransin [Mus musculus]" 92.31 491 100.00 100.00 3.14e-40 GB AAH09136 "Katanin p60 (ATPase-containing) subunit A1 [Mus musculus]" 92.31 491 100.00 100.00 3.14e-40 GB EDL03542 "katanin p60 (ATPase-containing) subunit A1 [Mus musculus]" 94.87 493 100.00 100.00 1.36e-41 REF NP_035965 "katanin p60 ATPase-containing subunit A1 [Mus musculus]" 94.87 493 100.00 100.00 1.13e-41 SP Q9WV86 "RecName: Full=Katanin p60 ATPase-containing subunit A1; Short=Katanin p60 subunit A1; AltName: Full=Lipotransin; AltName: Full=" 92.31 491 100.00 100.00 3.14e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $kp60-NTD 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_name $kp60-NTD 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-4T3 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 $kp60-NTD 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $kp60-NTD 0.7 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version 2K.2 loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio dioxane C 13 'methylene carbons' ppm 69.46 external direct . . . 1.0 TMS H 1 'methyl protons' ppm 0 external direct . . . 1.0 TMS N 15 'methyl protons' ppm 0 external indirect . . . 0.10136767 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNCA' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'N-terminal domain of kp60' _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 -5 2 SER HA H 4.487 0.000 1 2 -5 2 SER HB2 H 3.812 0.000 2 3 -5 2 SER HB3 H 3.812 0.000 2 4 -5 2 SER CB C 64.085 0.000 1 5 -4 3 ASP H H 8.506 0.000 1 6 -4 3 ASP HA H 4.560 0.004 1 7 -4 3 ASP HB2 H 2.644 0.006 2 8 -4 3 ASP HB3 H 2.614 0.003 2 9 -4 3 ASP CA C 54.590 0.000 1 10 -4 3 ASP CB C 41.120 0.000 1 11 -4 3 ASP N N 122.146 0.000 1 12 -3 4 HIS H H 8.056 0.000 1 13 -3 4 HIS HA H 4.540 0.002 1 14 -3 4 HIS HB2 H 3.138 0.003 2 15 -3 4 HIS HB3 H 3.092 0.005 2 16 -3 4 HIS HD2 H 7.031 0.000 1 17 -3 4 HIS CA C 56.664 0.100 1 18 -3 4 HIS CB C 30.375 0.000 1 19 -3 4 HIS CD2 C 119.821 0.000 1 20 -3 4 HIS N N 120.823 0.000 1 21 -2 5 MET H H 8.295 0.000 1 22 -2 5 MET HA H 4.400 0.003 1 23 -2 5 MET HB2 H 2.040 0.007 2 24 -2 5 MET HB3 H 1.997 0.008 2 25 -2 5 MET HE H 1.966 0.000 1 26 -2 5 MET HG2 H 2.459 0.005 2 27 -2 5 MET HG3 H 2.394 0.011 2 28 -2 5 MET CA C 56.450 0.072 1 29 -2 5 MET CB C 32.580 0.000 1 30 -2 5 MET CE C 17.031 0.000 1 31 -2 5 MET CG C 31.854 0.087 1 32 -2 5 MET N N 121.127 0.000 1 33 -1 6 THR H H 8.151 0.000 1 34 -1 6 THR HA H 3.804 0.009 1 35 -1 6 THR HB H 4.161 0.000 1 36 -1 6 THR HG2 H 1.199 0.005 1 37 -1 6 THR CA C 63.052 0.204 1 38 -1 6 THR CB C 69.512 0.000 1 39 -1 6 THR CG2 C 21.814 0.117 1 40 -1 6 THR N N 116.124 0.000 1 41 1 7 MET H H 8.070 0.000 1 42 1 7 MET HA H 4.379 0.006 1 43 1 7 MET HB2 H 1.835 0.009 2 44 1 7 MET HB3 H 1.791 0.009 2 45 1 7 MET HE H 1.839 0.002 1 46 1 7 MET HG2 H 2.315 0.004 2 47 1 7 MET HG3 H 2.315 0.004 2 48 1 7 MET CA C 56.554 0.092 1 49 1 7 MET CB C 33.110 0.000 1 50 1 7 MET CE C 16.271 0.000 1 51 1 7 MET CG C 32.130 0.000 1 52 1 7 MET N N 122.252 0.000 1 53 2 8 SER H H 8.027 0.000 1 54 2 8 SER HA H 4.487 0.001 1 55 2 8 SER HB2 H 3.825 0.002 2 56 2 8 SER HB3 H 3.793 0.002 2 57 2 8 SER CA C 58.227 0.000 1 58 2 8 SER CB C 63.665 0.000 1 59 2 8 SER N N 117.112 0.000 1 60 3 9 LEU H H 8.393 0.000 1 61 3 9 LEU HA H 3.763 0.007 1 62 3 9 LEU HB2 H 1.308 0.004 2 63 3 9 LEU HB3 H 1.274 0.005 2 64 3 9 LEU HD1 H 0.265 0.007 2 65 3 9 LEU HD2 H 0.265 0.007 2 66 3 9 LEU HG H 1.242 0.004 1 67 3 9 LEU CA C 57.511 0.096 1 68 3 9 LEU CB C 40.660 0.000 1 69 3 9 LEU CD1 C 23.309 0.082 2 70 3 9 LEU CD2 C 23.228 0.000 2 71 3 9 LEU CG C 26.398 0.044 1 72 3 9 LEU N N 123.730 0.000 1 73 4 10 GLN H H 8.163 0.000 1 74 4 10 GLN HA H 4.170 0.005 1 75 4 10 GLN HB2 H 2.254 0.015 2 76 4 10 GLN HB3 H 2.211 0.004 2 77 4 10 GLN HE21 H 7.692 0.000 2 78 4 10 GLN HE22 H 6.812 0.000 2 79 4 10 GLN HG2 H 2.524 0.007 2 80 4 10 GLN HG3 H 2.402 0.005 2 81 4 10 GLN CA C 59.249 0.033 1 82 4 10 GLN CB C 27.950 0.081 1 83 4 10 GLN CG C 34.342 0.076 1 84 4 10 GLN N N 117.482 0.000 1 85 4 10 GLN NE2 N 112.335 0.000 1 86 5 11 MET H H 7.756 0.000 1 87 5 11 MET N N 119.187 0.000 1 88 6 12 ILE H H 7.737 0.000 1 89 6 12 ILE HA H 3.743 0.003 1 90 6 12 ILE HB H 2.070 0.004 1 91 6 12 ILE HD1 H 0.669 0.000 1 92 6 12 ILE HG12 H 1.695 0.013 2 93 6 12 ILE HG13 H 1.138 0.005 2 94 6 12 ILE HG2 H 0.884 0.007 1 95 6 12 ILE CA C 65.367 0.068 1 96 6 12 ILE CB C 37.865 0.076 1 97 6 12 ILE CD1 C 11.192 0.000 1 98 6 12 ILE CG1 C 29.158 0.072 1 99 6 12 ILE CG2 C 17.560 0.188 1 100 6 12 ILE N N 120.456 0.000 1 101 7 13 VAL H H 8.080 0.000 1 102 7 13 VAL HA H 3.613 0.008 1 103 7 13 VAL HB H 2.207 0.009 1 104 7 13 VAL HG1 H 0.967 0.007 2 105 7 13 VAL HG2 H 1.049 0.007 2 106 7 13 VAL CA C 66.769 0.000 1 107 7 13 VAL CB C 31.730 0.000 1 108 7 13 VAL CG1 C 21.242 0.075 2 109 7 13 VAL CG2 C 22.606 0.099 2 110 7 13 VAL N N 117.627 0.000 1 111 8 14 GLU H H 7.958 0.000 1 112 8 14 GLU HA H 4.022 0.003 1 113 8 14 GLU HB2 H 2.094 0.021 2 114 8 14 GLU HB3 H 2.052 0.018 2 115 8 14 GLU HG2 H 2.369 0.006 2 116 8 14 GLU HG3 H 2.369 0.006 2 117 8 14 GLU CA C 59.335 0.117 1 118 8 14 GLU CB C 28.890 0.000 1 119 8 14 GLU CG C 35.909 0.108 1 120 8 14 GLU N N 120.437 0.000 1 121 9 15 ASN H H 8.034 0.000 1 122 9 15 ASN HA H 4.597 0.003 1 123 9 15 ASN HB2 H 2.953 0.004 2 124 9 15 ASN HB3 H 2.729 0.007 2 125 9 15 ASN HD21 H 7.485 0.000 2 126 9 15 ASN HD22 H 7.057 0.000 2 127 9 15 ASN CA C 56.083 0.074 1 128 9 15 ASN CB C 38.713 0.037 1 129 9 15 ASN N N 118.066 0.000 1 130 9 15 ASN ND2 N 110.713 0.005 1 131 10 16 VAL H H 8.467 0.000 1 132 10 16 VAL HA H 3.469 0.004 1 133 10 16 VAL HB H 2.216 0.007 1 134 10 16 VAL HG1 H 1.116 0.004 2 135 10 16 VAL HG2 H 0.974 0.007 2 136 10 16 VAL CA C 66.705 0.093 1 137 10 16 VAL CB C 31.229 0.133 1 138 10 16 VAL CG1 C 25.031 0.000 2 139 10 16 VAL CG2 C 21.080 0.030 2 140 10 16 VAL N N 122.424 0.000 1 141 11 17 LYS H H 7.689 0.000 1 142 11 17 LYS HA H 3.819 0.006 1 143 11 17 LYS HB2 H 1.874 0.006 2 144 11 17 LYS HB3 H 1.874 0.006 2 145 11 17 LYS HD2 H 1.617 0.006 2 146 11 17 LYS HD3 H 1.617 0.006 2 147 11 17 LYS HE2 H 2.891 0.009 2 148 11 17 LYS HE3 H 2.891 0.009 2 149 11 17 LYS HG2 H 1.517 0.009 2 150 11 17 LYS HG3 H 1.272 0.004 2 151 11 17 LYS CA C 59.989 0.071 1 152 11 17 LYS CB C 31.831 0.000 1 153 11 17 LYS CD C 29.670 0.000 1 154 11 17 LYS CG C 25.180 0.000 1 155 11 17 LYS N N 119.816 0.000 1 156 12 18 LEU H H 7.206 0.000 1 157 12 18 LEU HA H 3.728 0.004 1 158 12 18 LEU HB2 H 1.331 0.016 2 159 12 18 LEU HB3 H 1.331 0.016 2 160 12 18 LEU HD1 H 0.658 0.005 2 161 12 18 LEU HD2 H 0.503 0.002 2 162 12 18 LEU HG H 1.330 0.016 1 163 12 18 LEU CA C 57.372 0.093 1 164 12 18 LEU CB C 40.811 0.000 1 165 12 18 LEU CD1 C 24.830 0.076 2 166 12 18 LEU CD2 C 23.217 0.023 2 167 12 18 LEU CG C 26.688 0.144 1 168 12 18 LEU N N 119.145 0.000 1 169 13 19 ALA H H 7.712 0.000 1 170 13 19 ALA HA H 3.729 0.003 1 171 13 19 ALA HB H 0.592 0.006 1 172 13 19 ALA CA C 56.380 0.082 1 173 13 19 ALA CB C 16.555 0.000 1 174 13 19 ALA N N 121.850 0.000 1 175 14 20 ARG H H 8.025 0.000 1 176 14 20 ARG HA H 3.866 0.002 1 177 14 20 ARG HB2 H 1.822 0.002 2 178 14 20 ARG HB3 H 1.790 0.007 2 179 14 20 ARG HD2 H 2.899 0.000 2 180 14 20 ARG HD3 H 2.899 0.000 2 181 14 20 ARG HG2 H 1.505 0.000 2 182 14 20 ARG HG3 H 1.419 0.000 2 183 14 20 ARG CA C 59.708 0.036 1 184 14 20 ARG CB C 30.482 0.000 1 185 14 20 ARG CD C 41.990 0.000 1 186 14 20 ARG CG C 25.211 0.000 1 187 14 20 ARG N N 114.634 0.000 1 188 15 21 GLU H H 7.918 0.000 1 189 15 21 GLU HA H 3.884 0.007 1 190 15 21 GLU HB2 H 1.944 0.012 2 191 15 21 GLU HB3 H 1.789 0.005 2 192 15 21 GLU HG2 H 2.177 0.094 2 193 15 21 GLU HG3 H 2.023 0.097 2 194 15 21 GLU CA C 59.476 0.104 1 195 15 21 GLU CB C 29.195 0.067 1 196 15 21 GLU CG C 35.970 0.062 1 197 15 21 GLU N N 121.095 0.000 1 198 16 22 TYR H H 8.345 0.000 1 199 16 22 TYR HA H 4.242 0.005 1 200 16 22 TYR HB2 H 2.724 0.012 2 201 16 22 TYR HB3 H 3.358 0.010 2 202 16 22 TYR HD1 H 6.904 0.003 3 203 16 22 TYR HD2 H 6.904 0.003 3 204 16 22 TYR HE1 H 6.530 0.002 3 205 16 22 TYR HE2 H 6.530 0.002 3 206 16 22 TYR CA C 62.171 0.046 1 207 16 22 TYR CB C 36.651 0.044 1 208 16 22 TYR CD1 C 132.347 0.035 3 209 16 22 TYR CD2 C 132.347 0.035 3 210 16 22 TYR CE1 C 118.558 0.049 3 211 16 22 TYR CE2 C 118.558 0.049 3 212 16 22 TYR N N 117.393 0.000 1 213 17 23 ALA H H 8.377 0.000 1 214 17 23 ALA HA H 3.765 0.003 1 215 17 23 ALA HB H 1.644 0.002 1 216 17 23 ALA CA C 55.813 0.031 1 217 17 23 ALA CB C 17.671 0.000 1 218 17 23 ALA N N 121.947 0.000 1 219 18 24 LEU H H 8.127 0.000 1 220 18 24 LEU HA H 4.067 0.003 1 221 18 24 LEU HB2 H 1.824 0.007 2 222 18 24 LEU HB3 H 1.653 0.006 2 223 18 24 LEU HD1 H 0.847 0.002 2 224 18 24 LEU HD2 H 0.849 0.002 2 225 18 24 LEU HG H 1.702 0.002 1 226 18 24 LEU CA C 58.211 0.037 1 227 18 24 LEU CB C 41.874 0.117 1 228 18 24 LEU CD1 C 24.247 0.079 2 229 18 24 LEU CD2 C 24.247 0.079 2 230 18 24 LEU CG C 27.058 0.104 1 231 18 24 LEU N N 121.090 0.000 1 232 19 25 LEU H H 7.393 0.000 1 233 19 25 LEU HA H 4.227 0.004 1 234 19 25 LEU HB2 H 1.841 0.006 2 235 19 25 LEU HB3 H 1.651 0.006 2 236 19 25 LEU HD1 H 0.799 0.005 2 237 19 25 LEU HD2 H 0.800 0.005 2 238 19 25 LEU HG H 1.780 0.005 1 239 19 25 LEU CA C 55.042 0.126 1 240 19 25 LEU CB C 42.137 0.000 1 241 19 25 LEU CD1 C 25.494 0.000 2 242 19 25 LEU CD2 C 22.602 0.050 2 243 19 25 LEU CG C 26.470 0.141 1 244 19 25 LEU N N 117.008 0.000 1 245 20 26 GLY H H 7.722 0.000 1 246 20 26 GLY HA2 H 3.976 0.001 2 247 20 26 GLY HA3 H 3.026 0.003 2 248 20 26 GLY CA C 44.591 0.055 1 249 20 26 GLY N N 107.324 0.000 1 250 21 27 ASN H H 8.061 0.000 1 251 21 27 ASN HA H 4.888 0.001 1 252 21 27 ASN HB2 H 2.636 0.002 2 253 21 27 ASN HB3 H 3.074 0.002 2 254 21 27 ASN HD21 H 7.567 0.000 2 255 21 27 ASN HD22 H 6.627 0.000 2 256 21 27 ASN CA C 50.209 0.025 1 257 21 27 ASN CB C 36.392 0.019 1 258 21 27 ASN N N 120.038 0.000 1 259 21 27 ASN ND2 N 110.300 0.005 1 260 22 28 TYR H H 7.360 0.000 1 261 22 28 TYR HA H 4.103 0.007 1 262 22 28 TYR HB2 H 3.299 0.004 2 263 22 28 TYR HB3 H 2.926 0.010 2 264 22 28 TYR HD1 H 7.056 0.002 3 265 22 28 TYR HD2 H 7.056 0.002 3 266 22 28 TYR HE1 H 6.958 0.005 3 267 22 28 TYR HE2 H 6.958 0.005 3 268 22 28 TYR CA C 61.014 0.052 1 269 22 28 TYR CB C 37.102 0.073 1 270 22 28 TYR CD1 C 131.838 0.032 3 271 22 28 TYR CD2 C 131.838 0.032 3 272 22 28 TYR CE1 C 119.039 0.063 3 273 22 28 TYR CE2 C 119.039 0.063 3 274 22 28 TYR N N 121.589 0.000 1 275 23 29 ASP H H 8.610 0.000 1 276 23 29 ASP HA H 4.314 0.004 1 277 23 29 ASP HB2 H 2.634 0.004 2 278 23 29 ASP HB3 H 2.634 0.004 2 279 23 29 ASP CA C 57.722 0.042 1 280 23 29 ASP CB C 39.910 0.000 1 281 23 29 ASP N N 118.516 0.000 1 282 24 30 SER H H 7.481 0.000 1 283 24 30 SER HA H 4.076 0.004 1 284 24 30 SER HB2 H 2.894 0.006 2 285 24 30 SER HB3 H 2.724 0.001 2 286 24 30 SER CA C 61.872 0.103 1 287 24 30 SER CB C 61.574 0.016 1 288 24 30 SER N N 114.748 0.000 1 289 25 31 ALA H H 8.045 0.000 1 290 25 31 ALA HA H 4.135 0.010 1 291 25 31 ALA HB H 1.707 0.003 1 292 25 31 ALA CA C 56.554 0.000 1 293 25 31 ALA CB C 18.124 0.050 1 294 25 31 ALA N N 122.457 0.000 1 295 26 32 MET H H 8.510 0.000 1 296 26 32 MET HA H 4.731 0.016 1 297 26 32 MET HB2 H 2.270 0.007 2 298 26 32 MET HB3 H 2.209 0.009 2 299 26 32 MET HE H 2.037 0.003 1 300 26 32 MET HG2 H 2.768 0.005 2 301 26 32 MET HG3 H 2.702 0.004 2 302 26 32 MET CA C 57.255 0.115 1 303 26 32 MET CB C 30.496 0.000 1 304 26 32 MET CE C 15.941 0.000 1 305 26 32 MET CG C 32.130 0.000 1 306 26 32 MET N N 114.414 0.000 1 307 27 33 VAL H H 7.497 0.000 1 308 27 33 VAL HA H 3.619 0.005 1 309 27 33 VAL HB H 2.077 0.005 1 310 27 33 VAL HG1 H 0.993 0.011 2 311 27 33 VAL HG2 H 0.561 0.001 2 312 27 33 VAL CA C 67.136 0.481 1 313 27 33 VAL CB C 31.412 0.107 1 314 27 33 VAL CG1 C 22.510 0.000 2 315 27 33 VAL CG2 C 20.633 0.062 2 316 27 33 VAL N N 120.565 0.000 1 317 28 34 TYR H H 7.667 0.000 1 318 28 34 TYR HA H 4.164 0.013 1 319 28 34 TYR HB2 H 2.911 0.009 2 320 28 34 TYR HB3 H 2.787 0.016 2 321 28 34 TYR HD1 H 7.210 0.003 3 322 28 34 TYR HD2 H 7.210 0.003 3 323 28 34 TYR HE1 H 6.670 0.006 3 324 28 34 TYR HE2 H 6.670 0.006 3 325 28 34 TYR CA C 62.979 0.103 1 326 28 34 TYR CB C 38.489 0.000 1 327 28 34 TYR CD1 C 132.717 0.000 3 328 28 34 TYR CD2 C 132.717 0.000 3 329 28 34 TYR CE1 C 118.669 0.041 3 330 28 34 TYR CE2 C 118.669 0.041 3 331 28 34 TYR N N 119.500 0.000 1 332 29 35 TYR H H 9.265 0.000 1 333 29 35 TYR HA H 4.150 0.007 1 334 29 35 TYR HB2 H 3.087 0.010 2 335 29 35 TYR HB3 H 2.793 0.005 2 336 29 35 TYR HD1 H 6.906 0.002 3 337 29 35 TYR HD2 H 6.906 0.002 3 338 29 35 TYR HE1 H 6.625 0.009 3 339 29 35 TYR HE2 H 6.625 0.009 3 340 29 35 TYR CA C 63.383 0.112 1 341 29 35 TYR CB C 38.362 0.000 1 342 29 35 TYR CD1 C 132.339 0.044 3 343 29 35 TYR CD2 C 132.339 0.044 3 344 29 35 TYR CE1 C 117.967 0.025 3 345 29 35 TYR CE2 C 117.967 0.025 3 346 29 35 TYR N N 119.746 0.000 1 347 30 36 GLN H H 8.831 0.000 1 348 30 36 GLN HA H 3.901 0.002 1 349 30 36 GLN HB2 H 2.225 0.008 2 350 30 36 GLN HB3 H 2.100 0.006 2 351 30 36 GLN HE21 H 7.632 0.000 2 352 30 36 GLN HE22 H 6.894 0.000 2 353 30 36 GLN HG2 H 2.484 0.009 2 354 30 36 GLN HG3 H 2.388 0.008 2 355 30 36 GLN CA C 58.773 0.000 1 356 30 36 GLN CB C 28.051 0.034 1 357 30 36 GLN CG C 34.021 0.028 1 358 30 36 GLN N N 117.198 0.000 1 359 30 36 GLN NE2 N 114.174 0.001 1 360 31 37 GLY H H 7.899 0.000 1 361 31 37 GLY HA2 H 3.960 0.004 2 362 31 37 GLY HA3 H 3.991 0.004 2 363 31 37 GLY CA C 47.096 0.000 1 364 31 37 GLY N N 105.655 0.000 1 365 32 38 VAL H H 7.957 0.000 1 366 32 38 VAL HA H 3.899 0.005 1 367 32 38 VAL HB H 2.344 0.006 1 368 32 38 VAL HG1 H 1.202 0.004 2 369 32 38 VAL HG2 H 1.061 0.007 2 370 32 38 VAL CA C 66.245 0.032 1 371 32 38 VAL CB C 31.758 0.000 1 372 32 38 VAL CG1 C 23.228 0.000 2 373 32 38 VAL CG2 C 22.923 0.000 2 374 32 38 VAL N N 120.984 0.000 1 375 33 39 LEU H H 8.336 0.000 1 376 33 39 LEU HA H 4.030 0.005 1 377 33 39 LEU HB2 H 1.949 0.011 2 378 33 39 LEU HB3 H 1.526 0.006 2 379 33 39 LEU HD1 H 0.580 0.002 2 380 33 39 LEU HD2 H 0.089 0.002 2 381 33 39 LEU HG H 1.647 0.002 1 382 33 39 LEU CA C 58.836 0.063 1 383 33 39 LEU CB C 41.217 0.083 1 384 33 39 LEU CD1 C 25.152 0.106 2 385 33 39 LEU CD2 C 21.761 0.030 2 386 33 39 LEU CG C 26.941 0.000 1 387 33 39 LEU N N 121.746 0.000 1 388 34 40 ASP H H 8.562 0.000 1 389 34 40 ASP HA H 4.561 0.012 1 390 34 40 ASP HB2 H 2.920 0.006 2 391 34 40 ASP HB3 H 2.748 0.003 2 392 34 40 ASP CA C 57.546 0.059 1 393 34 40 ASP CB C 40.914 0.001 1 394 34 40 ASP N N 119.508 0.000 1 395 35 41 GLN H H 8.257 0.000 1 396 35 41 GLN HA H 4.066 0.005 1 397 35 41 GLN HB2 H 2.228 0.005 2 398 35 41 GLN HB3 H 2.146 0.007 2 399 35 41 GLN HE21 H 7.330 0.000 2 400 35 41 GLN HE22 H 6.728 0.000 2 401 35 41 GLN HG2 H 2.522 0.008 2 402 35 41 GLN HG3 H 2.522 0.008 2 403 35 41 GLN CA C 59.169 0.000 1 404 35 41 GLN CB C 28.619 0.000 1 405 35 41 GLN CG C 34.097 0.000 1 406 35 41 GLN N N 119.238 0.000 1 407 35 41 GLN NE2 N 111.215 0.001 1 408 36 42 MET H H 9.109 0.000 1 409 36 42 MET HA H 4.119 0.003 1 410 36 42 MET HB2 H 2.276 0.012 2 411 36 42 MET HB3 H 2.541 0.005 2 412 36 42 MET HE H 2.071 0.002 1 413 36 42 MET HG2 H 2.929 0.008 2 414 36 42 MET HG3 H 2.444 0.009 2 415 36 42 MET CA C 60.049 0.000 1 416 36 42 MET CB C 34.222 0.047 1 417 36 42 MET CE C 17.434 0.000 1 418 36 42 MET CG C 33.677 0.090 1 419 36 42 MET N N 118.741 0.000 1 420 37 43 ASN H H 8.345 0.000 1 421 37 43 ASN HA H 4.326 0.005 1 422 37 43 ASN HB2 H 3.036 0.004 2 423 37 43 ASN HB3 H 2.841 0.002 2 424 37 43 ASN HD21 H 7.640 0.000 2 425 37 43 ASN HD22 H 6.629 0.000 2 426 37 43 ASN CA C 56.427 0.086 1 427 37 43 ASN CB C 38.511 0.072 1 428 37 43 ASN N N 117.804 0.000 1 429 37 43 ASN ND2 N 111.399 0.004 1 430 38 44 LYS H H 7.622 0.000 1 431 38 44 LYS HA H 3.974 0.007 1 432 38 44 LYS HB2 H 1.812 0.008 2 433 38 44 LYS HB3 H 1.865 0.009 2 434 38 44 LYS HD2 H 1.590 0.005 2 435 38 44 LYS HD3 H 1.590 0.005 2 436 38 44 LYS HE2 H 2.903 0.003 2 437 38 44 LYS HE3 H 2.903 0.003 2 438 38 44 LYS HG2 H 1.511 0.012 2 439 38 44 LYS HG3 H 1.285 0.009 2 440 38 44 LYS CA C 59.299 0.000 1 441 38 44 LYS CB C 32.220 0.000 1 442 38 44 LYS CD C 29.275 0.000 1 443 38 44 LYS CE C 42.014 0.054 1 444 38 44 LYS CG C 25.287 0.039 1 445 38 44 LYS N N 118.047 0.000 1 446 39 45 TYR H H 7.918 0.000 1 447 39 45 TYR HA H 4.174 0.007 1 448 39 45 TYR HB2 H 2.927 0.013 2 449 39 45 TYR HB3 H 2.885 0.013 2 450 39 45 TYR HD1 H 6.682 0.004 3 451 39 45 TYR HD2 H 6.682 0.004 3 452 39 45 TYR HE1 H 6.399 0.002 3 453 39 45 TYR HE2 H 6.399 0.002 3 454 39 45 TYR CA C 61.098 0.000 1 455 39 45 TYR CB C 38.818 0.000 1 456 39 45 TYR CD1 C 132.389 0.013 3 457 39 45 TYR CD2 C 132.389 0.013 3 458 39 45 TYR CE1 C 118.103 0.043 3 459 39 45 TYR CE2 C 118.103 0.043 3 460 39 45 TYR N N 119.388 0.000 1 461 40 46 LEU H H 8.425 0.000 1 462 40 46 LEU HA H 3.688 0.005 1 463 40 46 LEU HB2 H 1.753 0.011 2 464 40 46 LEU HB3 H 1.311 0.008 2 465 40 46 LEU HD1 H 0.793 0.003 2 466 40 46 LEU HD2 H 0.650 0.009 2 467 40 46 LEU HG H 1.722 0.013 1 468 40 46 LEU CA C 58.105 0.122 1 469 40 46 LEU CB C 41.364 0.253 1 470 40 46 LEU CD1 C 24.546 0.060 2 471 40 46 LEU CD2 C 24.602 0.032 2 472 40 46 LEU CG C 27.271 0.063 1 473 40 46 LEU N N 119.744 0.000 1 474 41 47 TYR H H 7.519 0.000 1 475 41 47 TYR HA H 4.180 0.003 1 476 41 47 TYR HB2 H 3.032 0.007 2 477 41 47 TYR HB3 H 2.971 0.008 2 478 41 47 TYR HD1 H 7.089 0.001 3 479 41 47 TYR HD2 H 7.089 0.001 3 480 41 47 TYR HE1 H 6.710 0.001 3 481 41 47 TYR HE2 H 6.710 0.001 3 482 41 47 TYR CA C 59.975 0.023 1 483 41 47 TYR CB C 37.870 0.000 1 484 41 47 TYR CD1 C 133.029 0.000 3 485 41 47 TYR CD2 C 133.029 0.000 3 486 41 47 TYR CE1 C 118.066 0.045 3 487 41 47 TYR CE2 C 118.066 0.045 3 488 41 47 TYR N N 115.884 0.000 1 489 42 48 SER H H 7.542 0.000 1 490 42 48 SER HA H 4.314 0.003 1 491 42 48 SER HB2 H 3.851 0.019 2 492 42 48 SER HB3 H 3.779 0.006 2 493 42 48 SER CA C 58.773 0.000 1 494 42 48 SER CB C 64.571 0.000 1 495 42 48 SER N N 112.536 0.000 1 496 43 49 VAL H H 7.311 0.000 1 497 43 49 VAL HA H 3.780 0.009 1 498 43 49 VAL HB H 1.812 0.005 1 499 43 49 VAL HG1 H 0.829 0.000 2 500 43 49 VAL HG2 H 0.611 0.000 2 501 43 49 VAL CA C 62.844 0.038 1 502 43 49 VAL CB C 31.512 0.063 1 503 43 49 VAL CG1 C 21.696 0.000 2 504 43 49 VAL CG2 C 21.673 0.000 2 505 43 49 VAL N N 123.061 0.000 1 506 44 50 LYS H H 8.421 0.000 1 507 44 50 LYS HA H 4.216 0.004 1 508 44 50 LYS HB2 H 1.840 0.010 2 509 44 50 LYS HB3 H 1.714 0.008 2 510 44 50 LYS HD2 H 1.585 0.008 2 511 44 50 LYS HD3 H 1.585 0.008 2 512 44 50 LYS HE2 H 2.933 0.006 2 513 44 50 LYS HE3 H 2.933 0.006 2 514 44 50 LYS HG2 H 1.440 0.007 2 515 44 50 LYS HG3 H 1.358 0.026 2 516 44 50 LYS CA C 56.526 0.077 1 517 44 50 LYS CB C 32.430 0.000 1 518 44 50 LYS CD C 28.567 0.091 1 519 44 50 LYS CE C 42.237 0.000 1 520 44 50 LYS CG C 24.735 0.074 1 521 44 50 LYS N N 126.226 0.000 1 522 45 51 ASP H H 7.475 0.000 1 523 45 51 ASP HA H 4.628 0.006 1 524 45 51 ASP HB2 H 2.683 0.007 2 525 45 51 ASP HB3 H 2.639 0.005 2 526 45 51 ASP CA C 54.274 0.068 1 527 45 51 ASP CB C 42.785 0.000 1 528 45 51 ASP N N 120.451 0.000 1 529 46 52 THR H H 8.647 0.000 1 530 46 52 THR HA H 3.799 0.004 1 531 46 52 THR HB H 4.073 0.000 1 532 46 52 THR HG2 H 1.153 0.004 1 533 46 52 THR CA C 65.850 0.000 1 534 46 52 THR CB C 68.893 0.000 1 535 46 52 THR CG2 C 21.811 0.000 1 536 46 52 THR N N 121.530 0.000 1 537 47 53 HIS H H 8.225 0.000 1 538 47 53 HIS HA H 4.427 0.004 1 539 47 53 HIS HB2 H 3.270 0.004 2 540 47 53 HIS HB3 H 3.231 0.010 2 541 47 53 HIS HD2 H 7.127 0.000 1 542 47 53 HIS HE1 H 7.987 0.002 1 543 47 53 HIS CA C 59.355 0.049 1 544 47 53 HIS CB C 28.817 0.000 1 545 47 53 HIS CD2 C 120.223 0.008 1 546 47 53 HIS CE1 C 138.001 0.000 1 547 47 53 HIS N N 121.833 0.000 1 548 48 54 LEU H H 8.144 0.000 1 549 48 54 LEU HA H 4.155 0.008 1 550 48 54 LEU HB2 H 1.733 0.013 2 551 48 54 LEU HB3 H 1.694 0.014 2 552 48 54 LEU HD1 H 1.064 0.008 2 553 48 54 LEU HD2 H 0.979 0.005 2 554 48 54 LEU HG H 1.665 0.007 1 555 48 54 LEU CA C 57.102 0.070 1 556 48 54 LEU CB C 41.477 0.000 1 557 48 54 LEU CD1 C 24.388 0.049 2 558 48 54 LEU CD2 C 23.857 0.070 2 559 48 54 LEU CG C 27.026 0.157 1 560 48 54 LEU N N 122.003 0.000 1 561 49 55 ARG H H 8.415 0.000 1 562 49 55 ARG HA H 3.810 0.008 1 563 49 55 ARG HB2 H 1.838 0.009 2 564 49 55 ARG HB3 H 1.800 0.009 2 565 49 55 ARG HD2 H 3.148 0.007 2 566 49 55 ARG HD3 H 3.103 0.010 2 567 49 55 ARG HG2 H 1.577 0.007 2 568 49 55 ARG HG3 H 1.529 0.024 2 569 49 55 ARG CA C 60.177 0.047 1 570 49 55 ARG CB C 29.840 0.000 1 571 49 55 ARG CD C 43.307 0.000 1 572 49 55 ARG CG C 27.658 0.000 1 573 49 55 ARG N N 119.236 0.000 1 574 50 56 GLN H H 7.885 0.000 1 575 50 56 GLN HA H 3.905 0.009 1 576 50 56 GLN HB2 H 2.110 0.009 2 577 50 56 GLN HB3 H 1.971 0.007 2 578 50 56 GLN HG2 H 2.397 0.004 2 579 50 56 GLN HG3 H 2.397 0.004 2 580 50 56 GLN CA C 59.196 0.000 1 581 50 56 GLN CB C 27.741 0.070 1 582 50 56 GLN CG C 33.603 0.126 1 583 50 56 GLN N N 116.846 0.000 1 584 51 57 LYS H H 7.687 0.000 1 585 51 57 LYS HA H 4.031 0.006 1 586 51 57 LYS HB2 H 1.865 0.006 2 587 51 57 LYS HB3 H 1.811 0.007 2 588 51 57 LYS HD2 H 1.617 0.006 2 589 51 57 LYS HD3 H 1.580 0.005 2 590 51 57 LYS HE2 H 2.908 0.007 2 591 51 57 LYS HE3 H 2.867 0.015 2 592 51 57 LYS HG2 H 1.499 0.009 2 593 51 57 LYS HG3 H 1.278 0.006 2 594 51 57 LYS CA C 59.249 0.000 1 595 51 57 LYS CB C 32.140 0.000 1 596 51 57 LYS CD C 28.931 0.000 1 597 51 57 LYS CE C 41.627 0.000 1 598 51 57 LYS CG C 24.410 0.000 1 599 51 57 LYS N N 118.016 0.000 1 600 52 58 TRP H H 8.313 0.000 1 601 52 58 TRP HA H 4.361 0.006 1 602 52 58 TRP HB2 H 3.317 0.010 2 603 52 58 TRP HB3 H 3.243 0.014 2 604 52 58 TRP HD1 H 7.364 0.003 1 605 52 58 TRP HE1 H 10.200 0.005 1 606 52 58 TRP HE3 H 7.495 0.006 1 607 52 58 TRP HH2 H 6.905 0.006 1 608 52 58 TRP HZ2 H 7.334 0.004 1 609 52 58 TRP HZ3 H 6.929 0.006 1 610 52 58 TRP CA C 60.979 0.100 1 611 52 58 TRP CB C 29.253 0.000 1 612 52 58 TRP CD1 C 126.678 0.060 1 613 52 58 TRP CE3 C 119.689 0.040 1 614 52 58 TRP CH2 C 124.208 0.028 1 615 52 58 TRP CZ2 C 114.770 0.036 1 616 52 58 TRP CZ3 C 121.472 0.041 1 617 52 58 TRP N N 119.142 0.000 1 618 52 58 TRP NE1 N 127.891 0.000 1 619 53 59 GLN H H 8.885 0.000 1 620 53 59 GLN HA H 4.094 0.005 1 621 53 59 GLN HB2 H 2.217 0.005 2 622 53 59 GLN HB3 H 2.137 0.009 2 623 53 59 GLN HG2 H 2.550 0.011 2 624 53 59 GLN HG3 H 2.466 0.013 2 625 53 59 GLN CA C 59.088 0.000 1 626 53 59 GLN CB C 27.440 0.000 1 627 53 59 GLN CG C 31.732 0.000 1 628 53 59 GLN N N 120.681 0.000 1 629 54 60 GLN H H 7.734 0.000 1 630 54 60 GLN HA H 4.080 0.009 1 631 54 60 GLN HB2 H 2.226 0.008 2 632 54 60 GLN HB3 H 2.136 0.015 2 633 54 60 GLN HG2 H 2.521 0.007 2 634 54 60 GLN HG3 H 2.413 0.042 2 635 54 60 GLN CA C 58.740 0.000 1 636 54 60 GLN CB C 28.579 0.000 1 637 54 60 GLN CG C 33.676 0.080 1 638 54 60 GLN N N 120.135 0.000 1 639 55 61 VAL H H 7.556 0.000 1 640 55 61 VAL HA H 3.770 0.004 1 641 55 61 VAL HB H 2.279 0.006 1 642 55 61 VAL HG1 H 0.985 0.007 2 643 55 61 VAL HG2 H 0.862 0.006 2 644 55 61 VAL CA C 66.335 0.000 1 645 55 61 VAL CB C 31.694 0.000 1 646 55 61 VAL CG1 C 21.734 0.102 2 647 55 61 VAL CG2 C 22.148 0.073 2 648 55 61 VAL N N 120.466 0.000 1 649 56 62 TRP H H 8.730 0.000 1 650 56 62 TRP HA H 3.912 0.010 1 651 56 62 TRP HB2 H 3.710 0.000 2 652 56 62 TRP HB3 H 3.315 0.000 2 653 56 62 TRP HD1 H 7.209 0.002 1 654 56 62 TRP HE1 H 10.081 0.002 1 655 56 62 TRP HE3 H 7.417 0.003 1 656 56 62 TRP HH2 H 7.139 0.007 1 657 56 62 TRP HZ2 H 7.420 0.001 1 658 56 62 TRP HZ3 H 7.149 0.005 1 659 56 62 TRP CA C 62.675 0.244 1 660 56 62 TRP CB C 29.223 0.000 1 661 56 62 TRP CD1 C 126.469 0.016 1 662 56 62 TRP CE3 C 120.731 0.073 1 663 56 62 TRP CH2 C 124.661 0.012 1 664 56 62 TRP CZ2 C 114.774 0.041 1 665 56 62 TRP CZ3 C 121.737 0.088 1 666 56 62 TRP N N 120.941 0.000 1 667 56 62 TRP NE1 N 129.257 0.000 1 668 57 63 GLN H H 8.403 0.000 1 669 57 63 GLN HA H 3.954 0.003 1 670 57 63 GLN HB2 H 2.435 0.004 2 671 57 63 GLN HB3 H 2.276 0.005 2 672 57 63 GLN HG2 H 2.685 0.001 2 673 57 63 GLN HG3 H 2.685 0.001 2 674 57 63 GLN CA C 59.272 0.000 1 675 57 63 GLN CB C 27.868 0.123 1 676 57 63 GLN CG C 33.603 0.126 1 677 57 63 GLN N N 117.419 0.000 1 678 58 64 GLU H H 7.942 0.000 1 679 58 64 GLU HA H 3.960 0.004 1 680 58 64 GLU HB2 H 2.272 0.011 2 681 58 64 GLU HB3 H 2.074 0.005 2 682 58 64 GLU HG2 H 2.535 0.006 2 683 58 64 GLU HG3 H 2.243 0.006 2 684 58 64 GLU CA C 59.440 0.042 1 685 58 64 GLU CB C 29.258 0.000 1 686 58 64 GLU CG C 36.365 0.096 1 687 58 64 GLU N N 119.403 0.000 1 688 59 65 ILE H H 8.468 0.000 1 689 59 65 ILE HA H 3.667 0.004 1 690 59 65 ILE HB H 1.799 0.003 1 691 59 65 ILE HD1 H 0.785 0.003 1 692 59 65 ILE HG12 H 1.587 0.000 2 693 59 65 ILE HG13 H 1.405 0.000 2 694 59 65 ILE HG2 H 0.878 0.003 1 695 59 65 ILE CA C 63.470 0.073 1 696 59 65 ILE CB C 36.521 0.000 1 697 59 65 ILE CD1 C 12.944 0.000 1 698 59 65 ILE CG2 C 18.091 0.000 1 699 59 65 ILE N N 120.124 0.000 1 700 60 66 ASN H H 8.379 0.000 1 701 60 66 ASN HA H 3.922 0.001 1 702 60 66 ASN HB2 H 1.707 0.009 2 703 60 66 ASN HB3 H 2.340 0.009 2 704 60 66 ASN HD21 H 6.952 0.000 2 705 60 66 ASN HD22 H 5.979 0.000 2 706 60 66 ASN CA C 57.065 0.094 1 707 60 66 ASN CB C 38.644 0.114 1 708 60 66 ASN N N 119.917 0.000 1 709 60 66 ASN ND2 N 113.207 0.006 1 710 61 67 VAL H H 7.645 0.000 1 711 61 67 VAL HA H 3.484 0.001 1 712 61 67 VAL HB H 2.100 0.004 1 713 61 67 VAL HG1 H 1.050 0.005 2 714 61 67 VAL HG2 H 0.867 0.004 2 715 61 67 VAL CA C 66.609 0.000 1 716 61 67 VAL CB C 31.817 0.000 1 717 61 67 VAL CG1 C 22.931 0.000 2 718 61 67 VAL CG2 C 21.202 0.002 2 719 61 67 VAL N N 118.529 0.000 1 720 62 68 GLU H H 7.540 0.000 1 721 62 68 GLU HA H 3.855 0.005 1 722 62 68 GLU HB2 H 2.093 0.014 2 723 62 68 GLU HB3 H 2.033 0.007 2 724 62 68 GLU HG2 H 2.365 0.004 2 725 62 68 GLU HG3 H 2.119 0.009 2 726 62 68 GLU CA C 59.339 0.000 1 727 62 68 GLU CB C 29.440 0.000 1 728 62 68 GLU CG C 35.823 0.002 1 729 62 68 GLU N N 121.455 0.000 1 730 63 69 ALA H H 8.360 0.000 1 731 63 69 ALA HA H 3.081 0.000 1 732 63 69 ALA HB H 0.955 0.002 1 733 63 69 ALA CA C 54.780 0.000 1 734 63 69 ALA CB C 18.210 0.000 1 735 63 69 ALA N N 121.004 0.000 1 736 64 70 LYS H H 7.654 0.000 1 737 64 70 LYS HA H 3.771 0.006 1 738 64 70 LYS HB2 H 1.858 0.011 2 739 64 70 LYS HB3 H 1.808 0.010 2 740 64 70 LYS HD2 H 1.605 0.006 2 741 64 70 LYS HD3 H 1.540 0.031 2 742 64 70 LYS HE2 H 2.926 0.007 2 743 64 70 LYS HE3 H 2.926 0.007 2 744 64 70 LYS HG2 H 1.449 0.008 2 745 64 70 LYS HG3 H 1.350 0.023 2 746 64 70 LYS CA C 59.200 0.034 1 747 64 70 LYS CB C 31.826 0.000 1 748 64 70 LYS CD C 28.835 0.020 1 749 64 70 LYS CE C 42.245 0.034 1 750 64 70 LYS CG C 25.229 0.000 1 751 64 70 LYS N N 118.080 0.000 1 752 65 71 GLN H H 7.535 0.000 1 753 65 71 GLN HA H 4.028 0.006 1 754 65 71 GLN HB2 H 2.170 0.005 2 755 65 71 GLN HB3 H 2.062 0.006 2 756 65 71 GLN HG2 H 2.503 0.008 2 757 65 71 GLN HG3 H 2.329 0.007 2 758 65 71 GLN CA C 58.773 0.000 1 759 65 71 GLN CB C 27.756 0.055 1 760 65 71 GLN CG C 34.178 0.000 1 761 65 71 GLN N N 117.371 0.000 1 762 66 72 VAL H H 7.353 0.000 1 763 66 72 VAL HA H 3.477 0.008 1 764 66 72 VAL HB H 2.216 0.004 1 765 66 72 VAL HG1 H 1.046 0.008 2 766 66 72 VAL HG2 H 1.108 0.007 2 767 66 72 VAL CA C 66.239 0.067 1 768 66 72 VAL CB C 30.950 0.000 1 769 66 72 VAL CG1 C 23.223 0.005 2 770 66 72 VAL CG2 C 23.669 0.005 2 771 66 72 VAL N N 119.320 0.000 1 772 67 73 LYS H H 8.028 0.000 1 773 67 73 LYS HA H 3.864 0.006 1 774 67 73 LYS HB2 H 1.883 0.010 2 775 67 73 LYS HB3 H 1.826 0.007 2 776 67 73 LYS HD2 H 1.667 0.007 2 777 67 73 LYS HD3 H 1.579 0.008 2 778 67 73 LYS HE2 H 2.978 0.004 2 779 67 73 LYS HE3 H 2.904 0.008 2 780 67 73 LYS HG2 H 1.486 0.007 2 781 67 73 LYS HG3 H 1.433 0.005 2 782 67 73 LYS CA C 59.437 0.032 1 783 67 73 LYS CB C 32.480 0.000 1 784 67 73 LYS CD C 28.821 0.056 1 785 67 73 LYS CE C 42.560 0.000 1 786 67 73 LYS CG C 24.320 0.000 1 787 67 73 LYS N N 120.824 0.000 1 788 68 74 ASP H H 8.050 0.000 1 789 68 74 ASP HA H 4.372 0.005 1 790 68 74 ASP HB2 H 2.647 0.005 2 791 68 74 ASP HB3 H 2.582 0.006 2 792 68 74 ASP CA C 56.539 0.049 1 793 68 74 ASP CB C 40.490 0.098 1 794 68 74 ASP N N 117.257 0.000 1 795 69 75 ILE H H 7.537 0.000 1 796 69 75 ILE HA H 3.925 0.004 1 797 69 75 ILE HB H 1.716 0.004 1 798 69 75 ILE HD1 H 0.665 0.003 1 799 69 75 ILE HG12 H 1.083 0.004 2 800 69 75 ILE HG13 H 1.421 0.005 2 801 69 75 ILE HG2 H 0.588 0.003 1 802 69 75 ILE CA C 62.339 0.000 1 803 69 75 ILE CB C 38.418 0.000 1 804 69 75 ILE CD1 C 13.457 0.066 1 805 69 75 ILE CG1 C 28.299 0.067 1 806 69 75 ILE CG2 C 17.124 0.054 1 807 69 75 ILE N N 119.134 0.000 1 808 70 76 MET H H 7.632 0.000 1 809 70 76 MET HA H 4.101 0.002 1 810 70 76 MET HB2 H 2.029 0.004 2 811 70 76 MET HB3 H 2.076 0.005 2 812 70 76 MET HE H 1.832 0.000 1 813 70 76 MET HG2 H 2.546 0.002 2 814 70 76 MET HG3 H 2.477 0.003 2 815 70 76 MET CA C 56.808 0.064 1 816 70 76 MET CB C 33.460 0.000 1 817 70 76 MET CG C 31.730 0.000 1 818 70 76 MET N N 119.744 0.000 1 819 71 77 LYS H H 7.787 0.000 1 820 71 77 LYS HA H 4.320 0.004 1 821 71 77 LYS HB2 H 1.891 0.012 2 822 71 77 LYS HB3 H 1.828 0.006 2 823 71 77 LYS HD2 H 1.676 0.013 2 824 71 77 LYS HD3 H 1.631 0.010 2 825 71 77 LYS HE2 H 2.987 0.010 2 826 71 77 LYS HE3 H 2.925 0.014 2 827 71 77 LYS HG2 H 1.490 0.010 2 828 71 77 LYS HG3 H 1.433 0.005 2 829 71 77 LYS CA C 56.575 0.058 1 830 71 77 LYS CB C 32.128 0.000 1 831 71 77 LYS CD C 29.120 0.009 1 832 71 77 LYS CE C 42.259 0.000 1 833 71 77 LYS CG C 24.628 0.000 1 834 71 77 LYS N N 120.429 0.000 1 835 72 78 THR H H 7.700 0.000 1 836 72 78 THR HA H 4.123 0.001 1 837 72 78 THR HB H 4.224 0.001 1 838 72 78 THR HG2 H 1.173 0.000 1 839 72 78 THR CA C 63.449 0.480 1 840 72 78 THR CB C 70.770 0.318 1 841 72 78 THR CG2 C 22.021 0.000 1 842 72 78 THR N N 120.464 0.000 1 stop_ save_