data_17827 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Kindle-2 N-terminus ; _BMRB_accession_number 17827 _BMRB_flat_file_name bmr17827.str _Entry_type original _Submission_date 2011-08-03 _Accession_date 2011-08-03 _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 Perera H. Dhanuja . 2 Ma Yan-Qing . . 3 Yang Jun . . 4 Hirbawi Jamila . . 5 Plow Edward F. . 6 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 461 "13C chemical shifts" 398 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-01 original author . stop_ _Original_release_date 2011-12-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Membrane Binding of the N-Terminal Ubiquitin-Like Domain of kindlin-2 Is Crucial for Its Regulation of Integrin Activation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22078565 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Perera H. Dhanuja . 2 Ma Yan-Qing . . 3 Yang Jun . . 4 Hirbawi Jamila . . 5 Plow Edward F. . 6 Qin Jun . . stop_ _Journal_abbreviation Structure _Journal_volume 19 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1664 _Page_last 1671 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name k2-n _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label k2-n $k2-n 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_k2-n _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 10895.647 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GAMPDEFMALDGIRMPDGCY ADGTWELSVHVTDVNRDVTL RVTGEVHIGGVMLKLVEKLD VKKDWSDHALWWEKKRTWLL KTHWTLDKYGIQADAKLQFT PQHKLLRLQLPN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 ALA 3 -4 MET 4 -3 PRO 5 -2 ASP 6 -1 GLU 7 0 PHE 8 1 MET 9 2 ALA 10 3 LEU 11 4 ASP 12 5 GLY 13 6 ILE 14 7 ARG 15 8 MET 16 9 PRO 17 10 ASP 18 11 GLY 19 12 CYS 20 13 TYR 21 14 ALA 22 15 ASP 23 16 GLY 24 17 THR 25 18 TRP 26 19 GLU 27 20 LEU 28 21 SER 29 22 VAL 30 23 HIS 31 24 VAL 32 25 THR 33 26 ASP 34 27 VAL 35 28 ASN 36 29 ARG 37 30 ASP 38 31 VAL 39 32 THR 40 33 LEU 41 34 ARG 42 35 VAL 43 36 THR 44 37 GLY 45 38 GLU 46 39 VAL 47 40 HIS 48 41 ILE 49 42 GLY 50 43 GLY 51 44 VAL 52 45 MET 53 46 LEU 54 47 LYS 55 48 LEU 56 49 VAL 57 50 GLU 58 51 LYS 59 52 LEU 60 53 ASP 61 54 VAL 62 55 LYS 63 56 LYS 64 57 ASP 65 58 TRP 66 59 SER 67 60 ASP 68 61 HIS 69 62 ALA 70 63 LEU 71 64 TRP 72 65 TRP 73 66 GLU 74 67 LYS 75 68 LYS 76 69 ARG 77 70 THR 78 71 TRP 79 72 LEU 80 73 LEU 81 74 LYS 82 75 THR 83 76 HIS 84 77 TRP 85 78 THR 86 79 LEU 87 80 ASP 88 81 LYS 89 82 TYR 90 83 GLY 91 84 ILE 92 85 GLN 93 86 ALA 94 87 ASP 95 88 ALA 96 89 LYS 97 90 LEU 98 91 GLN 99 92 PHE 100 93 THR 101 94 PRO 102 95 GLN 103 96 HIS 104 97 LYS 105 98 LEU 106 99 LEU 107 100 ARG 108 101 LEU 109 102 GLN 110 103 LEU 111 104 PRO 112 105 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 2LGX "Nmr Structure For Kindle-2 N-Terminus" 100.00 112 100.00 100.00 9.08e-75 DBJ BAC37692 "unnamed protein product [Mus musculus]" 93.75 149 98.10 99.05 2.70e-67 DBJ BAE26194 "unnamed protein product [Mus musculus]" 93.75 680 98.10 99.05 4.31e-64 DBJ BAE38850 "unnamed protein product [Mus musculus]" 93.75 680 98.10 99.05 4.49e-64 DBJ BAF84427 "unnamed protein product [Homo sapiens]" 93.75 680 99.05 100.00 2.11e-65 EMBL CAA80852 "mitogen inducible gene mig-2 [Homo sapiens]" 93.75 720 98.10 100.00 7.51e-65 EMBL CAD61925 "unnamed protein product [Homo sapiens]" 93.75 633 99.05 100.00 1.12e-65 GB AAH17327 "Fermitin family homolog 2 (Drosophila) [Homo sapiens]" 93.75 680 99.05 100.00 2.11e-65 GB AAH33436 "Fermitin family homolog 2 (Drosophila) [Mus musculus]" 93.75 680 98.10 99.05 4.49e-64 GB AAH83876 "Fermitin family homolog 2 (Drosophila) [Rattus norvegicus]" 93.75 680 98.10 100.00 7.61e-65 GB AAI08179 "FERMT2 protein [Bos taurus]" 93.75 154 99.05 100.00 9.17e-69 GB AAI51293 "FERMT2 protein [Bos taurus]" 93.75 680 99.05 100.00 1.99e-65 REF NP_001011915 "fermitin family homolog 2 [Rattus norvegicus]" 93.75 680 98.10 100.00 7.61e-65 REF NP_001094734 "fermitin family homolog 2 [Bos taurus]" 93.75 680 99.05 100.00 1.99e-65 REF NP_001128471 "fermitin family homolog 2 isoform 2 [Homo sapiens]" 93.75 687 99.05 100.00 2.45e-65 REF NP_001128472 "fermitin family homolog 2 isoform 3 [Homo sapiens]" 93.75 633 99.05 100.00 1.12e-65 REF NP_001253248 "fermitin family homolog 2 [Macaca mulatta]" 93.75 680 99.05 100.00 1.99e-65 SP Q8CIB5 "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Pleckstrin homology domain-containing family C " 93.75 680 98.10 99.05 4.49e-64 SP Q96AC1 "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Mitogen-inducible gene 2 protein; Short=MIG-2; " 93.75 680 99.05 100.00 2.11e-65 TPG DAA25234 "TPA: fermitin family homolog 2 [Bos taurus]" 93.75 680 99.05 100.00 1.99e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $k2-n human 9606 Eukaryota Metazoa Homo sapiens 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 $k2-n 'recombinant technology' . Escherichia coli . pGST-1 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 $k2-n 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $k2-n 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $k2-n 0.1 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PASA _Saveframe_category software _Name PASA _Version . loop_ _Vendor _Address _Electronic_address 'Xu, Wang, Yang, Vaynberg, Xu, and Qin' 'Dept. of Cardiology, Lerner Research Institute, The Cleveland Clinic Foundation, 9500 Euclid Ave., Cleveland, OH 44195' qinj@ccf.org stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Xu, Y, Wang, X., Yang, J., Vaynberg, J., Qin, J. (2006). J Biomol NMR. 34, 41-56.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_1 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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_1 save_ save_3D_C(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_13C-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 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' 0.1 . M pH 6.8 . 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 water H 1 protons ppm 4.7 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HNCA' '3D H(CCO)NH' '3D C(CCO)NH' '3D HCCH-TOCSY' '3D 13C-15N NOESY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' 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 k2-n _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 8 MET H H 7.950 0.03 1 2 1 8 MET HA H 4.280 0.03 1 3 1 8 MET HB2 H 1.950 0.03 1 4 1 8 MET HB3 H 1.860 0.03 1 5 1 8 MET HG2 H 2.430 0.03 1 6 1 8 MET HG3 H 2.370 0.03 1 7 1 8 MET C C 175.284 0.50 1 8 1 8 MET CA C 55.330 0.50 1 9 1 8 MET CB C 32.780 0.50 1 10 1 8 MET CG C 31.750 0.50 1 11 1 8 MET N N 121.498 0.25 1 12 2 9 ALA H H 8.018 0.03 1 13 2 9 ALA HA H 4.210 0.03 1 14 2 9 ALA HB H 1.320 0.03 1 15 2 9 ALA C C 177.598 0.50 1 16 2 9 ALA CA C 52.440 0.50 1 17 2 9 ALA CB C 19.030 0.50 1 18 2 9 ALA N N 124.336 0.25 1 19 3 10 LEU H H 8.057 0.03 1 20 3 10 LEU HA H 4.210 0.03 1 21 3 10 LEU HB2 H 1.580 0.03 1 22 3 10 LEU HB3 H 1.510 0.03 1 23 3 10 LEU HG H 1.445 0.03 1 24 3 10 LEU HD1 H 0.850 0.03 1 25 3 10 LEU HD2 H 0.780 0.03 1 26 3 10 LEU C C 177.094 0.50 1 27 3 10 LEU CA C 55.320 0.50 1 28 3 10 LEU CB C 42.170 0.50 1 29 3 10 LEU CG C 26.720 0.50 1 30 3 10 LEU CD1 C 24.480 0.50 1 31 3 10 LEU CD2 C 23.480 0.50 1 32 3 10 LEU N N 121.125 0.25 1 33 4 11 ASP H H 8.145 0.03 1 34 4 11 ASP HA H 4.475 0.03 1 35 4 11 ASP HB2 H 2.590 0.03 1 36 4 11 ASP C C 176.509 0.50 1 37 4 11 ASP CA C 54.550 0.50 1 38 4 11 ASP CB C 40.950 0.50 1 39 4 11 ASP N N 119.766 0.25 1 40 5 12 GLY H H 8.110 0.03 1 41 5 12 GLY HA2 H 3.870 0.03 1 42 5 12 GLY C C 173.692 0.50 1 43 5 12 GLY CA C 45.310 0.50 1 44 5 12 GLY N N 108.440 0.25 1 45 6 13 ILE H H 7.790 0.03 1 46 6 13 ILE HA H 4.100 0.03 1 47 6 13 ILE HB H 1.810 0.03 1 48 6 13 ILE HG12 H 1.380 0.03 1 49 6 13 ILE HG13 H 1.090 0.03 1 50 6 13 ILE HG2 H 0.820 0.03 1 51 6 13 ILE HD1 H 0.770 0.03 1 52 6 13 ILE C C 175.525 0.50 1 53 6 13 ILE CA C 60.710 0.50 1 54 6 13 ILE CB C 38.430 0.50 1 55 6 13 ILE CG1 C 26.900 0.50 1 56 6 13 ILE CG2 C 17.330 0.50 1 57 6 13 ILE CD1 C 13.140 0.50 1 58 6 13 ILE N N 119.766 0.25 1 59 7 14 ARG H H 8.410 0.03 1 60 7 14 ARG HA H 4.210 0.03 1 61 7 14 ARG HB2 H 1.580 0.03 1 62 7 14 ARG HB3 H 1.650 0.03 1 63 7 14 ARG HG2 H 1.380 0.03 1 64 7 14 ARG HD2 H 2.987 0.03 1 65 7 14 ARG C C 175.810 0.50 1 66 7 14 ARG CA C 55.640 0.50 1 67 7 14 ARG CB C 30.990 0.50 1 68 7 14 ARG CG C 26.810 0.50 1 69 7 14 ARG CD C 43.000 0.50 1 70 7 14 ARG N N 125.657 0.25 1 71 8 15 MET H H 8.495 0.03 1 72 8 15 MET HA H 4.210 0.03 1 73 8 15 MET HB2 H 1.990 0.03 1 74 8 15 MET HG2 H 2.580 0.03 1 75 8 15 MET HG3 H 2.440 0.03 1 76 8 15 MET C C 174.950 0.50 1 77 8 15 MET CA C 55.330 0.50 1 78 8 15 MET CB C 31.730 0.50 1 79 8 15 MET CG C 32.160 0.50 1 80 8 15 MET N N 123.598 0.25 1 81 9 16 PRO HA H 4.290 0.03 1 82 9 16 PRO HB2 H 2.210 0.03 1 83 9 16 PRO HB3 H 1.810 0.03 1 84 9 16 PRO HG2 H 1.950 0.03 1 85 9 16 PRO HD2 H 3.750 0.03 1 86 9 16 PRO C C 176.228 0.50 1 87 9 16 PRO CA C 63.370 0.50 1 88 9 16 PRO CB C 31.820 0.50 1 89 9 16 PRO CG C 27.270 0.50 1 90 9 16 PRO CD C 50.300 0.50 1 91 10 17 ASP H H 8.076 0.03 1 92 10 17 ASP HA H 4.420 0.03 1 93 10 17 ASP HB2 H 2.680 0.03 1 94 10 17 ASP C C 176.714 0.50 1 95 10 17 ASP CA C 54.130 0.50 1 96 10 17 ASP CB C 40.430 0.50 1 97 10 17 ASP N N 117.952 0.25 1 98 11 18 GLY H H 8.255 0.03 1 99 11 18 GLY HA2 H 4.005 0.03 1 100 11 18 GLY HA3 H 3.670 0.03 1 101 11 18 GLY C C 173.819 0.50 1 102 11 18 GLY CA C 45.300 0.50 1 103 11 18 GLY N N 108.663 0.25 1 104 12 19 CYS H H 7.850 0.03 1 105 12 19 CYS HA H 4.550 0.03 1 106 12 19 CYS HB2 H 2.850 0.03 1 107 12 19 CYS C C 174.073 0.50 1 108 12 19 CYS CA C 58.420 0.50 1 109 12 19 CYS CB C 28.400 0.50 1 110 12 19 CYS N N 118.179 0.25 1 111 13 20 TYR H H 8.550 0.03 1 112 13 20 TYR HA H 4.550 0.03 1 113 13 20 TYR HB2 H 3.050 0.03 1 114 13 20 TYR HB3 H 2.890 0.03 1 115 13 20 TYR C C 176.748 0.50 1 116 13 20 TYR CA C 58.470 0.50 1 117 13 20 TYR CB C 39.210 0.50 1 118 13 20 TYR N N 120.897 0.25 1 119 14 21 ALA H H 8.615 0.03 1 120 14 21 ALA HA H 4.190 0.03 1 121 14 21 ALA HB H 1.380 0.03 1 122 14 21 ALA C C 177.181 0.50 1 123 14 21 ALA CA C 53.530 0.50 1 124 14 21 ALA CB C 18.630 0.50 1 125 14 21 ALA N N 124.750 0.25 1 126 15 22 ASP H H 7.960 0.03 1 127 15 22 ASP HA H 4.480 0.03 1 128 15 22 ASP HB2 H 2.870 0.03 1 129 15 22 ASP HB3 H 2.580 0.03 1 130 15 22 ASP C C 176.708 0.50 1 131 15 22 ASP CA C 53.500 0.50 1 132 15 22 ASP CB C 40.730 0.50 1 133 15 22 ASP N N 117.500 0.25 1 134 16 23 GLY H H 8.344 0.03 1 135 16 23 GLY HA2 H 4.200 0.03 1 136 16 23 GLY HA3 H 3.870 0.03 1 137 16 23 GLY C C 174.373 0.50 1 138 16 23 GLY CA C 45.370 0.50 1 139 16 23 GLY N N 108.891 0.25 1 140 17 24 THR H H 7.850 0.03 1 141 17 24 THR HA H 4.640 0.03 1 142 17 24 THR HB H 3.945 0.03 1 143 17 24 THR HG2 H 0.880 0.03 1 144 17 24 THR C C 173.620 0.50 1 145 17 24 THR CA C 60.540 0.50 1 146 17 24 THR CB C 72.100 0.50 1 147 17 24 THR CG2 C 21.300 0.50 1 148 17 24 THR N N 110.929 0.25 1 149 18 25 TRP H H 8.640 0.03 1 150 18 25 TRP HA H 4.945 0.03 1 151 18 25 TRP HB2 H 3.400 0.03 1 152 18 25 TRP HB3 H 3.275 0.03 1 153 18 25 TRP HD1 H 7.214 0.03 1 154 18 25 TRP HE1 H 9.800 0.03 1 155 18 25 TRP HZ2 H 7.018 0.03 1 156 18 25 TRP C C 174.164 0.50 1 157 18 25 TRP CA C 54.620 0.50 1 158 18 25 TRP CB C 30.650 0.50 1 159 18 25 TRP N N 117.728 0.25 1 160 18 25 TRP NE1 N 128.375 0.25 1 161 19 26 GLU H H 8.744 0.03 1 162 19 26 GLU HA H 4.851 0.03 1 163 19 26 GLU HB2 H 1.990 0.03 1 164 19 26 GLU HB3 H 1.770 0.03 1 165 19 26 GLU HG2 H 2.280 0.03 1 166 19 26 GLU HG3 H 1.935 0.03 1 167 19 26 GLU C C 174.786 0.50 1 168 19 26 GLU CA C 55.710 0.50 1 169 19 26 GLU CB C 31.500 0.50 1 170 19 26 GLU CG C 37.530 0.50 1 171 19 26 GLU N N 117.728 0.25 1 172 20 27 LEU H H 8.980 0.03 1 173 20 27 LEU HA H 4.880 0.03 1 174 20 27 LEU HB2 H 1.527 0.03 1 175 20 27 LEU HB3 H 1.370 0.03 1 176 20 27 LEU HG H 1.230 0.03 1 177 20 27 LEU HD1 H 0.800 0.03 1 178 20 27 LEU HD2 H 0.540 0.03 1 179 20 27 LEU C C 175.123 0.50 1 180 20 27 LEU CA C 53.252 0.50 1 181 20 27 LEU CB C 45.280 0.50 1 182 20 27 LEU CG C 26.970 0.50 1 183 20 27 LEU CD1 C 23.710 0.50 1 184 20 27 LEU CD2 C 26.690 0.50 1 185 20 27 LEU N N 126.668 0.25 1 186 21 28 SER H H 8.785 0.03 1 187 21 28 SER HA H 4.894 0.03 1 188 21 28 SER HB2 H 3.790 0.03 1 189 21 28 SER C C 173.483 0.50 1 190 21 28 SER CA C 57.880 0.50 1 191 21 28 SER CB C 63.920 0.50 1 192 21 28 SER N N 121.804 0.25 1 193 22 29 VAL H H 8.865 0.03 1 194 22 29 VAL HA H 4.370 0.03 1 195 22 29 VAL HB H 1.720 0.03 1 196 22 29 VAL HG1 H 0.650 0.03 1 197 22 29 VAL HG2 H 0.540 0.03 1 198 22 29 VAL C C 173.953 0.50 1 199 22 29 VAL CA C 60.440 0.50 1 200 22 29 VAL CB C 34.350 0.50 1 201 22 29 VAL CG1 C 22.920 0.50 1 202 22 29 VAL CG2 C 20.180 0.50 1 203 22 29 VAL N N 125.881 0.25 1 204 23 30 HIS H H 8.810 0.03 1 205 23 30 HIS HA H 5.220 0.03 1 206 23 30 HIS HB2 H 3.220 0.03 1 207 23 30 HIS HB3 H 3.140 0.03 1 208 23 30 HIS C C 174.596 0.50 1 209 23 30 HIS CA C 55.250 0.50 1 210 23 30 HIS CB C 30.550 0.50 1 211 23 30 HIS N N 126.560 0.25 1 212 24 31 VAL H H 9.043 0.03 1 213 24 31 VAL HA H 5.230 0.03 1 214 24 31 VAL HB H 2.170 0.03 1 215 24 31 VAL HG1 H 1.280 0.03 1 216 24 31 VAL HG2 H 0.950 0.03 1 217 24 31 VAL C C 177.426 0.50 1 218 24 31 VAL CA C 55.530 0.50 1 219 24 31 VAL CB C 31.040 0.50 1 220 24 31 VAL CG1 C 22.350 0.50 1 221 24 31 VAL CG2 C 20.830 0.50 1 222 24 31 VAL N N 130.587 0.25 1 223 25 32 THR H H 8.245 0.03 1 224 25 32 THR HA H 3.970 0.03 1 225 25 32 THR HB H 4.335 0.03 1 226 25 32 THR HG2 H 1.430 0.03 1 227 25 32 THR C C 177.437 0.50 1 228 25 32 THR CA C 66.470 0.50 1 229 25 32 THR CB C 68.220 0.50 1 230 25 32 THR CG2 C 22.320 0.50 1 231 25 32 THR N N 122.484 0.25 1 232 27 34 VAL H H 6.977 0.03 1 233 27 34 VAL HA H 4.500 0.03 1 234 27 34 VAL HB H 1.692 0.03 1 235 27 34 VAL HG1 H 1.015 0.03 1 236 27 34 VAL HG2 H 0.930 0.03 1 237 27 34 VAL CA C 54.220 0.50 1 238 27 34 VAL CB C 27.060 0.50 1 239 27 34 VAL CG1 C 25.700 0.50 1 240 27 34 VAL CG2 C 22.400 0.50 1 241 27 34 VAL N N 114.090 0.25 1 242 28 35 ASN H H 7.897 0.03 1 243 28 35 ASN HA H 4.299 0.03 1 244 28 35 ASN HB2 H 3.273 0.03 1 245 28 35 ASN HB3 H 2.630 0.03 1 246 28 35 ASN CA C 53.650 0.50 1 247 28 35 ASN CB C 37.110 0.50 1 248 28 35 ASN N N 116.829 0.25 1 249 29 36 ARG H H 6.787 0.03 1 250 29 36 ARG HA H 4.700 0.03 1 251 29 36 ARG HB2 H 1.570 0.03 1 252 29 36 ARG HB3 H 1.510 0.03 1 253 29 36 ARG HG2 H 1.520 0.03 1 254 29 36 ARG HG3 H 1.445 0.03 1 255 29 36 ARG HD2 H 3.055 0.03 1 256 29 36 ARG C C 173.347 0.50 1 257 29 36 ARG CA C 54.900 0.50 1 258 29 36 ARG CB C 34.700 0.50 1 259 29 36 ARG CG C 26.200 0.50 1 260 29 36 ARG CD C 43.270 0.50 1 261 29 36 ARG N N 114.310 0.25 1 262 30 37 ASP H H 8.760 0.03 1 263 30 37 ASP HA H 5.475 0.03 1 264 30 37 ASP HB2 H 2.488 0.03 1 265 30 37 ASP C C 175.354 0.50 1 266 30 37 ASP CA C 53.660 0.50 1 267 30 37 ASP CB C 42.260 0.50 1 268 30 37 ASP N N 124.071 0.25 1 269 31 38 VAL H H 9.187 0.03 1 270 31 38 VAL HA H 4.270 0.03 1 271 31 38 VAL HB H 1.700 0.03 1 272 31 38 VAL HG1 H 0.640 0.03 1 273 31 38 VAL C C 174.203 0.50 1 274 31 38 VAL CA C 60.700 0.50 1 275 31 38 VAL CB C 34.620 0.50 1 276 31 38 VAL CG1 C 20.590 0.50 1 277 31 38 VAL N N 123.300 0.25 1 278 32 39 THR H H 8.360 0.03 1 279 32 39 THR HA H 5.095 0.03 1 280 32 39 THR HB H 3.840 0.03 1 281 32 39 THR HG2 H 1.015 0.03 1 282 32 39 THR C C 173.547 0.50 1 283 32 39 THR CA C 60.550 0.50 1 284 32 39 THR CB C 70.170 0.50 1 285 32 39 THR CG2 C 21.630 0.50 1 286 32 39 THR N N 119.766 0.25 1 287 33 40 LEU H H 8.750 0.03 1 288 33 40 LEU HA H 4.590 0.03 1 289 33 40 LEU HB2 H 1.135 0.03 1 290 33 40 LEU HB3 H 1.370 0.03 1 291 33 40 LEU HD1 H 0.560 0.03 1 292 33 40 LEU HD2 H 0.570 0.03 1 293 33 40 LEU C C 174.691 0.50 1 294 33 40 LEU CA C 52.580 0.50 1 295 33 40 LEU CB C 45.410 0.50 1 296 33 40 LEU CD1 C 26.730 0.50 1 297 33 40 LEU CD2 C 24.100 0.50 1 298 33 40 LEU N N 124.522 0.25 1 299 34 41 ARG H H 8.345 0.03 1 300 34 41 ARG HA H 4.680 0.03 1 301 34 41 ARG HB2 H 1.490 0.03 1 302 34 41 ARG HG2 H 1.385 0.03 1 303 34 41 ARG HD2 H 2.810 0.03 1 304 34 41 ARG HD3 H 3.068 0.03 1 305 34 41 ARG C C 175.700 0.50 1 306 34 41 ARG CA C 55.420 0.50 1 307 34 41 ARG CB C 29.500 0.50 1 308 34 41 ARG CG C 26.600 0.50 1 309 34 41 ARG CD C 42.400 0.50 1 310 34 41 ARG N N 122.712 0.25 1 311 35 42 VAL H H 8.640 0.03 1 312 35 42 VAL HA H 4.465 0.03 1 313 35 42 VAL HB H 1.570 0.03 1 314 35 42 VAL HG1 H 0.390 0.03 1 315 35 42 VAL HG2 H -0.870 0.03 1 316 35 42 VAL C C 173.184 0.50 1 317 35 42 VAL CA C 58.670 0.50 1 318 35 42 VAL CB C 36.050 0.50 1 319 35 42 VAL CG1 C 21.310 0.50 1 320 35 42 VAL CG2 C 16.690 0.50 1 321 35 42 VAL N N 117.728 0.25 1 322 36 43 THR H H 6.220 0.03 1 323 36 43 THR HA H 4.660 0.03 1 324 36 43 THR HB H 4.410 0.03 1 325 36 43 THR HG2 H 0.970 0.03 1 326 36 43 THR C C 174.862 0.50 1 327 36 43 THR CA C 59.010 0.50 1 328 36 43 THR CB C 71.570 0.50 1 329 36 43 THR CG2 C 20.340 0.50 1 330 36 43 THR N N 104.359 0.25 1 331 37 44 GLY H H 9.160 0.03 1 332 37 44 GLY HA2 H 4.360 0.03 1 333 37 44 GLY HA3 H 3.990 0.03 1 334 37 44 GLY C C 173.394 0.50 1 335 37 44 GLY CA C 46.830 0.50 1 336 37 44 GLY N N 105.946 0.25 1 337 38 45 GLU H H 7.500 0.03 1 338 38 45 GLU HA H 4.290 0.03 1 339 38 45 GLU HB2 H 1.770 0.03 1 340 38 45 GLU HG2 H 2.240 0.03 1 341 38 45 GLU C C 176.167 0.50 1 342 38 45 GLU CA C 55.500 0.50 1 343 38 45 GLU CB C 30.950 0.50 1 344 38 45 GLU CG C 36.470 0.50 1 345 38 45 GLU N N 113.875 0.25 1 346 39 46 VAL H H 7.260 0.03 1 347 39 46 VAL HA H 3.820 0.03 1 348 39 46 VAL HB H 1.950 0.03 1 349 39 46 VAL HG1 H 0.990 0.03 1 350 39 46 VAL HG2 H 0.920 0.03 1 351 39 46 VAL C C 174.651 0.50 1 352 39 46 VAL CA C 63.920 0.50 1 353 39 46 VAL CB C 31.590 0.50 1 354 39 46 VAL CG1 C 23.070 0.50 1 355 39 46 VAL CG2 C 21.310 0.50 1 356 39 46 VAL N N 121.577 0.25 1 357 40 47 HIS H H 8.285 0.03 1 358 40 47 HIS HA H 5.212 0.03 1 359 40 47 HIS HB2 H 3.140 0.03 1 360 40 47 HIS HB3 H 3.300 0.03 1 361 40 47 HIS C C 177.440 0.50 1 362 40 47 HIS CA C 54.660 0.50 1 363 40 47 HIS CB C 30.910 0.50 1 364 40 47 HIS N N 123.391 0.25 1 365 41 48 ILE H H 8.863 0.03 1 366 41 48 ILE HA H 3.530 0.03 1 367 41 48 ILE HB H 2.435 0.03 1 368 41 48 ILE HG12 H 1.420 0.03 1 369 41 48 ILE HG13 H 1.990 0.03 1 370 41 48 ILE HG2 H 0.570 0.03 1 371 41 48 ILE HD1 H 0.870 0.03 1 372 41 48 ILE C C 178.941 0.50 1 373 41 48 ILE CA C 62.330 0.50 1 374 41 48 ILE CB C 34.230 0.50 1 375 41 48 ILE CG1 C 27.800 0.50 1 376 41 48 ILE CG2 C 9.200 0.50 1 377 41 48 ILE CD1 C 17.880 0.50 1 378 41 48 ILE N N 124.071 0.25 1 379 42 49 GLY H H 9.720 0.03 1 380 42 49 GLY HA2 H 3.867 0.03 1 381 42 49 GLY C C 175.669 0.50 1 382 42 49 GLY CA C 45.320 0.50 1 383 42 49 GLY N N 106.853 0.25 1 384 43 50 GLY H H 6.950 0.03 1 385 43 50 GLY HA2 H 3.789 0.03 1 386 43 50 GLY HA3 H 3.490 0.03 1 387 43 50 GLY C C 175.847 0.50 1 388 43 50 GLY CA C 47.000 0.50 1 389 43 50 GLY N N 109.571 0.25 1 390 44 51 VAL H H 7.860 0.03 1 391 44 51 VAL HA H 3.115 0.03 1 392 44 51 VAL HB H 2.170 0.03 1 393 44 51 VAL HG1 H 0.718 0.03 1 394 44 51 VAL HG2 H 0.455 0.03 1 395 44 51 VAL C C 176.804 0.50 1 396 44 51 VAL CA C 66.660 0.50 1 397 44 51 VAL CB C 30.730 0.50 1 398 44 51 VAL CG1 C 23.320 0.50 1 399 44 51 VAL CG2 C 21.140 0.50 1 400 44 51 VAL N N 123.163 0.25 1 401 45 52 MET H H 7.940 0.03 1 402 45 52 MET HA H 3.410 0.03 1 403 45 52 MET HB2 H 2.185 0.03 1 404 45 52 MET HG2 H 2.754 0.03 1 405 45 52 MET HE H 2.322 0.03 1 406 45 52 MET C C 176.881 0.50 1 407 45 52 MET CA C 59.830 0.50 1 408 45 52 MET CB C 32.310 0.50 1 409 45 52 MET CG C 32.280 0.50 1 410 45 52 MET CE C 16.390 0.50 1 411 45 52 MET N N 115.913 0.25 1 412 46 53 LEU H H 7.550 0.03 1 413 46 53 LEU HA H 3.940 0.03 1 414 46 53 LEU HB2 H 1.700 0.03 1 415 46 53 LEU HG H 1.680 0.03 1 416 46 53 LEU HD1 H 0.855 0.03 1 417 46 53 LEU HD2 H 0.835 0.03 1 418 46 53 LEU C C 179.178 0.50 1 419 46 53 LEU CA C 58.500 0.50 1 420 46 53 LEU CB C 41.930 0.50 1 421 46 53 LEU CG C 26.700 0.50 1 422 46 53 LEU CD1 C 24.680 0.50 1 423 46 53 LEU CD2 C 24.000 0.50 1 424 46 53 LEU N N 118.291 0.25 1 425 47 54 LYS H H 7.665 0.03 1 426 47 54 LYS HA H 3.870 0.03 1 427 47 54 LYS HB2 H 1.690 0.03 1 428 47 54 LYS HB3 H 1.625 0.03 1 429 47 54 LYS HG2 H 1.423 0.03 1 430 47 54 LYS HD2 H 1.625 0.03 1 431 47 54 LYS HE2 H 2.830 0.03 1 432 47 54 LYS C C 178.616 0.50 1 433 47 54 LYS CA C 57.980 0.50 1 434 47 54 LYS CB C 32.320 0.50 1 435 47 54 LYS CG C 25.010 0.50 1 436 47 54 LYS CD C 32.320 0.50 1 437 47 54 LYS CE C 41.500 0.50 1 438 47 54 LYS N N 118.142 0.25 1 439 48 55 LEU H H 7.975 0.03 1 440 48 55 LEU HA H 3.570 0.03 1 441 48 55 LEU HB2 H 1.145 0.03 1 442 48 55 LEU HG H 0.925 0.03 1 443 48 55 LEU HD1 H 0.120 0.03 1 444 48 55 LEU HD2 H -0.143 0.03 1 445 48 55 LEU C C 177.405 0.50 1 446 48 55 LEU CA C 57.790 0.50 1 447 48 55 LEU CB C 41.590 0.50 1 448 48 55 LEU CG C 26.020 0.50 1 449 48 55 LEU CD1 C 23.960 0.50 1 450 48 55 LEU CD2 C 24.860 0.50 1 451 48 55 LEU N N 119.385 0.25 1 452 49 56 VAL H H 7.615 0.03 1 453 49 56 VAL HA H 2.990 0.03 1 454 49 56 VAL HB H 1.955 0.03 1 455 49 56 VAL HG2 H 0.770 0.03 1 456 49 56 VAL C C 178.564 0.50 1 457 49 56 VAL CA C 66.310 0.50 1 458 49 56 VAL CB C 31.300 0.50 1 459 49 56 VAL CG2 C 21.640 0.50 1 460 49 56 VAL N N 116.141 0.25 1 461 50 57 GLU H H 7.575 0.03 1 462 50 57 GLU HA H 3.965 0.03 1 463 50 57 GLU HB2 H 2.140 0.03 1 464 50 57 GLU HB3 H 2.040 0.03 1 465 50 57 GLU HG2 H 2.145 0.03 1 466 50 57 GLU HG3 H 2.365 0.03 1 467 50 57 GLU C C 178.030 0.50 1 468 50 57 GLU CA C 58.500 0.50 1 469 50 57 GLU CB C 29.610 0.50 1 470 50 57 GLU CG C 36.320 0.50 1 471 50 57 GLU N N 118.631 0.25 1 472 51 58 LYS H H 7.490 0.03 1 473 51 58 LYS HA H 4.130 0.03 1 474 51 58 LYS HB2 H 1.785 0.03 1 475 51 58 LYS HG2 H 1.395 0.03 1 476 51 58 LYS HD2 H 1.560 0.03 1 477 51 58 LYS HE2 H 2.930 0.03 1 478 51 58 LYS C C 176.956 0.50 1 479 51 58 LYS CA C 56.660 0.50 1 480 51 58 LYS CB C 32.660 0.50 1 481 51 58 LYS CG C 24.960 0.50 1 482 51 58 LYS CD C 27.090 0.50 1 483 51 58 LYS CE C 42.000 0.50 1 484 51 58 LYS N N 117.053 0.25 1 485 52 59 LEU H H 7.470 0.03 1 486 52 59 LEU HA H 4.122 0.03 1 487 52 59 LEU HG H 1.590 0.03 1 488 52 59 LEU HD1 H 0.500 0.03 1 489 52 59 LEU HD2 H 1.390 0.03 1 490 52 59 LEU C C 176.645 0.50 1 491 52 59 LEU CA C 56.660 0.50 1 492 52 59 LEU CB C 42.700 0.50 1 493 52 59 LEU CG C 27.090 0.50 1 494 52 59 LEU CD1 C 22.380 0.50 1 495 52 59 LEU CD2 C 24.960 0.50 1 496 52 59 LEU N N 119.460 0.25 1 497 55 62 LYS C C 175.670 0.50 1 498 56 63 LYS H H 7.245 0.03 1 499 56 63 LYS HA H 4.302 0.03 1 500 56 63 LYS HB2 H 1.765 0.03 1 501 56 63 LYS HG2 H 1.417 0.03 1 502 56 63 LYS HD2 H 1.622 0.03 1 503 56 63 LYS HE2 H 2.93 0.03 1 504 56 63 LYS C C 172.850 0.50 1 505 56 63 LYS CA C 54.530 0.50 1 506 56 63 LYS CB C 31.1 0.50 1 507 56 63 LYS CG C 23.940 0.50 1 508 56 63 LYS CD C 28.570 0.50 1 509 56 63 LYS CE C 41.300 0.50 1 510 56 63 LYS N N 122.430 0.25 1 511 57 64 ASP H H 7.867 0.03 1 512 57 64 ASP HA H 4.530 0.03 1 513 57 64 ASP HB2 H 2.470 0.03 1 514 57 64 ASP HB3 H 2.690 0.03 1 515 57 64 ASP C C 176.710 0.50 1 516 57 64 ASP CA C 52.500 0.50 1 517 57 64 ASP CB C 40.320 0.50 1 518 57 64 ASP N N 118.867 0.25 1 519 58 65 TRP H H 8.790 0.03 1 520 58 65 TRP HA H 4.540 0.03 1 521 58 65 TRP HB2 H 3.479 0.03 1 522 58 65 TRP HB3 H 2.910 0.03 1 523 58 65 TRP HE1 H 10.100 0.03 1 524 58 65 TRP C C 178.390 0.50 1 525 58 65 TRP CA C 52.860 0.50 1 526 58 65 TRP CB C 29.420 0.50 1 527 58 65 TRP N N 128.827 0.25 1 528 58 65 TRP NE1 N 128.827 0.25 1 529 59 66 SER H H 8.637 0.03 1 530 59 66 SER HA H 4.143 0.03 1 531 59 66 SER HB2 H 3.952 0.03 1 532 59 66 SER HB3 H 3.994 0.03 1 533 59 66 SER C C 174.471 0.50 1 534 59 66 SER CA C 62.350 0.50 1 535 59 66 SER CB C 63.110 0.50 1 536 59 66 SER N N 117.724 0.25 1 537 60 67 ASP H H 8.895 0.03 1 538 60 67 ASP HB2 H 2.540 0.03 1 539 60 67 ASP C C 176.206 0.50 1 540 60 67 ASP CB C 42.560 0.50 1 541 60 67 ASP N N 121.042 0.25 1 542 61 68 HIS H H 7.958 0.03 1 543 61 68 HIS HA H 4.490 0.03 1 544 61 68 HIS HB2 H 2.990 0.03 1 545 61 68 HIS HB3 H 3.100 0.03 1 546 61 68 HIS C C 174.546 0.50 1 547 61 68 HIS CA C 57.940 0.50 1 548 61 68 HIS CB C 39.410 0.50 1 549 61 68 HIS N N 121.519 0.25 1 550 62 69 ALA H H 8.575 0.03 1 551 62 69 ALA HB H 1.430 0.03 1 552 62 69 ALA C C 175.294 0.50 1 553 62 69 ALA CB C 22.470 0.50 1 554 62 69 ALA N N 122.256 0.25 1 555 63 70 LEU H H 9.150 0.03 1 556 63 70 LEU HA H 5.654 0.03 1 557 63 70 LEU HB2 H 2.075 0.03 1 558 63 70 LEU HG H 1.770 0.03 1 559 63 70 LEU HD1 H 0.723 0.03 1 560 63 70 LEU HD2 H 0.765 0.03 1 561 63 70 LEU C C 174.445 0.50 1 562 63 70 LEU CA C 53.930 0.50 1 563 63 70 LEU CB C 44.300 0.50 1 564 63 70 LEU CG C 26.910 0.50 1 565 63 70 LEU CD1 C 24.010 0.50 1 566 63 70 LEU CD2 C 26.130 0.50 1 567 63 70 LEU N N 118.904 0.25 1 568 64 71 TRP H H 9.590 0.03 1 569 64 71 TRP HB2 H 2.575 0.03 1 570 64 71 TRP HB3 H 2.200 0.03 1 571 64 71 TRP HE1 H 10.410 0.03 1 572 64 71 TRP C C 174.010 0.50 1 573 64 71 TRP CB C 32.210 0.50 1 574 64 71 TRP N N 125.367 0.25 1 575 64 71 TRP NE1 N 128.827 0.25 1 576 65 72 TRP H H 8.277 0.03 1 577 65 72 TRP HA H 4.980 0.03 1 578 65 72 TRP HB2 H 3.280 0.03 1 579 65 72 TRP HB3 H 3.220 0.03 1 580 65 72 TRP HE1 H 10.280 0.03 1 581 65 72 TRP C C 174.335 0.50 1 582 65 72 TRP CA C 51.440 0.50 1 583 65 72 TRP CB C 30.490 0.50 1 584 65 72 TRP N N 129.982 0.25 1 585 65 72 TRP NE1 N 127.696 0.25 1 586 66 73 GLU H H 8.969 0.03 1 587 66 73 GLU HA H 3.300 0.03 1 588 66 73 GLU HB2 H 2.160 0.03 1 589 66 73 GLU HG2 H 2.190 0.03 1 590 66 73 GLU HG3 H 2.270 0.03 1 591 66 73 GLU C C 178.595 0.50 1 592 66 73 GLU CA C 59.920 0.50 1 593 66 73 GLU CB C 29.060 0.50 1 594 66 73 GLU CG C 35.110 0.50 1 595 66 73 GLU N N 129.112 0.25 1 596 67 74 LYS H H 7.860 0.03 1 597 67 74 LYS HA H 3.702 0.03 1 598 67 74 LYS HB2 H 1.759 0.03 1 599 67 74 LYS HG2 H 1.033 0.03 1 600 67 74 LYS HD2 H 1.240 0.03 1 601 67 74 LYS HE2 H 2.870 0.03 1 602 67 74 LYS C C 176.361 0.50 1 603 67 74 LYS CA C 58.660 0.50 1 604 67 74 LYS CB C 32.020 0.50 1 605 67 74 LYS CG C 24.550 0.50 1 606 67 74 LYS CD C 24.550 0.50 1 607 67 74 LYS CE C 41.480 0.50 1 608 67 74 LYS N N 117.492 0.25 1 609 68 75 LYS H H 7.500 0.03 1 610 68 75 LYS HA H 3.935 0.03 1 611 68 75 LYS HB2 H 1.410 0.03 1 612 68 75 LYS HG2 H -0.120 0.03 1 613 68 75 LYS HG3 H -0.050 0.03 1 614 68 75 LYS HD2 H 1.030 0.03 1 615 68 75 LYS HE2 H 2.560 0.03 1 616 68 75 LYS HE3 H 2.525 0.03 1 617 68 75 LYS C C 174.183 0.50 1 618 68 75 LYS CA C 53.400 0.50 1 619 68 75 LYS CB C 32.200 0.50 1 620 68 75 LYS CG C 23.850 0.50 1 621 68 75 LYS CD C 27.700 0.50 1 622 68 75 LYS CE C 41.600 0.50 1 623 68 75 LYS N N 121.233 0.25 1 624 69 76 ARG H H 7.500 0.03 1 625 69 76 ARG HA H 2.890 0.03 1 626 69 76 ARG HB2 H 1.845 0.03 1 627 69 76 ARG HB3 H 1.560 0.03 1 628 69 76 ARG HD2 H 3.215 0.03 1 629 69 76 ARG C C 173.984 0.50 1 630 69 76 ARG CA C 56.316 0.50 1 631 69 76 ARG CB C 27.090 0.50 1 632 69 76 ARG CD C 43.120 0.50 1 633 69 76 ARG N N 121.125 0.25 1 634 70 77 THR H H 6.280 0.03 1 635 70 77 THR HA H 4.650 0.03 1 636 70 77 THR HB H 3.590 0.03 1 637 70 77 THR HG2 H 1.130 0.03 1 638 70 77 THR C C 171.846 0.50 1 639 70 77 THR CA C 61.630 0.50 1 640 70 77 THR CB C 72.210 0.50 1 641 70 77 THR CG2 C 20.190 0.50 1 642 70 77 THR N N 110.478 0.25 1 643 71 78 TRP H H 8.795 0.03 1 644 71 78 TRP HA H 4.750 0.03 1 645 71 78 TRP HB2 H 3.222 0.03 1 646 71 78 TRP HB3 H 3.135 0.03 1 647 71 78 TRP HE1 H 10.020 0.03 1 648 71 78 TRP C C 177.303 0.50 1 649 71 78 TRP CA C 56.240 0.50 1 650 71 78 TRP CB C 30.500 0.50 1 651 71 78 TRP N N 127.244 0.25 1 652 71 78 TRP NE1 N 130.413 0.25 1 653 72 79 LEU H H 9.175 0.03 1 654 72 79 LEU HA H 4.500 0.03 1 655 72 79 LEU HB2 H 1.910 0.03 1 656 72 79 LEU HG H 1.256 0.03 1 657 72 79 LEU HD1 H 0.427 0.03 1 658 72 79 LEU HD2 H 0.030 0.03 1 659 72 79 LEU C C 175.667 0.50 1 660 72 79 LEU CA C 52.510 0.50 1 661 72 79 LEU CB C 38.240 0.50 1 662 72 79 LEU CG C 25.220 0.50 1 663 72 79 LEU CD1 C 27.100 0.50 1 664 72 79 LEU CD2 C 21.850 0.50 1 665 72 79 LEU N N 125.202 0.25 1 666 73 80 LEU H H 7.280 0.03 1 667 73 80 LEU HA H 4.380 0.03 1 668 73 80 LEU HB2 H 1.670 0.03 1 669 73 80 LEU HD1 H 0.840 0.03 1 670 73 80 LEU HD2 H 0.720 0.03 1 671 73 80 LEU C C 178.139 0.50 1 672 73 80 LEU CA C 54.700 0.50 1 673 73 80 LEU CB C 42.170 0.50 1 674 73 80 LEU CD1 C 25.100 0.50 1 675 73 80 LEU CD2 C 21.770 0.50 1 676 73 80 LEU N N 119.170 0.25 1 677 74 81 LYS H H 7.865 0.03 1 678 74 81 LYS HA H 4.435 0.03 1 679 74 81 LYS HB2 H 1.325 0.03 1 680 74 81 LYS HG2 H 0.810 0.03 1 681 74 81 LYS HG3 H 0.370 0.03 1 682 74 81 LYS HD2 H 0.570 0.03 1 683 74 81 LYS HD3 H 0.105 0.03 1 684 74 81 LYS HE2 H 2.445 0.03 1 685 74 81 LYS HE3 H 2.515 0.03 1 686 74 81 LYS C C 176.601 0.50 1 687 74 81 LYS CA C 54.660 0.50 1 688 74 81 LYS CB C 28.540 0.50 1 689 74 81 LYS CG C 23.470 0.50 1 690 74 81 LYS CD C 27.900 0.50 1 691 74 81 LYS CE C 42.020 0.50 1 692 74 81 LYS N N 119.766 0.25 1 693 75 82 THR H H 7.910 0.03 1 694 75 82 THR HA H 3.800 0.03 1 695 75 82 THR HB H 4.165 0.03 1 696 75 82 THR HG2 H 1.305 0.03 1 697 75 82 THR C C 174.806 0.50 1 698 75 82 THR CA C 64.650 0.50 1 699 75 82 THR CB C 68.260 0.50 1 700 75 82 THR CG2 C 22.370 0.50 1 701 75 82 THR N N 115.636 0.25 1 702 76 83 HIS H H 8.965 0.03 1 703 76 83 HIS HB2 H 3.310 0.03 1 704 76 83 HIS HB3 H 3.295 0.03 1 705 76 83 HIS C C 176.370 0.50 1 706 76 83 HIS CB C 30.210 0.50 1 707 76 83 HIS N N 116.767 0.25 1 708 77 84 TRP H H 7.635 0.03 1 709 77 84 TRP HB2 H 3.430 0.03 1 710 77 84 TRP HB3 H 2.950 0.03 1 711 77 84 TRP HE1 H 10.180 0.03 1 712 77 84 TRP C C 175.584 0.50 1 713 77 84 TRP CB C 30.390 0.50 1 714 77 84 TRP N N 123.905 0.25 1 715 77 84 TRP NE1 N 127.468 0.25 1 716 78 85 THR H H 7.030 0.03 1 717 78 85 THR HA H 4.900 0.03 1 718 78 85 THR HB H 5.000 0.03 1 719 78 85 THR HG2 H 1.130 0.03 1 720 78 85 THR C C 175.691 0.50 1 721 78 85 THR CA C 59.500 0.50 1 722 78 85 THR CB C 70.600 0.50 1 723 78 85 THR CG2 C 22.230 0.50 1 724 78 85 THR N N 108.440 0.25 1 725 79 86 LEU H H 8.045 0.03 1 726 79 86 LEU HA H 4.040 0.03 1 727 79 86 LEU HB2 H 2.060 0.03 1 728 79 86 LEU HG H 1.760 0.03 1 729 79 86 LEU HD1 H 0.570 0.03 1 730 79 86 LEU HD2 H 0.630 0.03 1 731 79 86 LEU C C 179.734 0.50 1 732 79 86 LEU CA C 58.750 0.50 1 733 79 86 LEU CB C 40.450 0.50 1 734 79 86 LEU CG C 26.680 0.50 1 735 79 86 LEU CD1 C 22.950 0.50 1 736 79 86 LEU CD2 C 26.310 0.50 1 737 79 86 LEU N N 119.766 0.25 1 738 80 87 ASP H H 8.935 0.03 1 739 80 87 ASP HA H 4.440 0.03 1 740 80 87 ASP HB2 H 2.465 0.03 1 741 80 87 ASP HB3 H 2.400 0.03 1 742 80 87 ASP C C 179.152 0.50 1 743 80 87 ASP CA C 57.320 0.50 1 744 80 87 ASP CB C 40.320 0.50 1 745 80 87 ASP N N 118.407 0.25 1 746 81 88 LYS H H 8.055 0.03 1 747 81 88 LYS HA H 3.700 0.03 1 748 81 88 LYS HB2 H 1.75 0.03 1 749 81 88 LYS HG2 H 1.22 0.03 1 750 81 88 LYS HG3 H 1.03 0.03 1 751 81 88 LYS HD2 H 1.5 0.03 1 752 81 88 LYS HE2 H 2.940 0.03 1 753 81 88 LYS C C 178.721 0.50 1 754 81 88 LYS CA C 59.020 0.50 1 755 81 88 LYS CB C 31.640 0.50 1 756 81 88 LYS CG C 24.100 0.50 1 757 81 88 LYS CD C 29.0 0.50 1 758 81 88 LYS CE C 42.000 0.50 1 759 81 88 LYS N N 123.300 0.25 1 760 82 89 TYR H H 7.730 0.03 1 761 82 89 TYR HA H 4.580 0.03 1 762 82 89 TYR HB2 H 3.260 0.03 1 763 82 89 TYR HB3 H 2.790 0.03 1 764 82 89 TYR C C 176.164 0.50 1 765 82 89 TYR CA C 61.750 0.50 1 766 82 89 TYR CB C 40.750 0.50 1 767 82 89 TYR N N 115.690 0.25 1 768 83 90 GLY H H 8.030 0.03 1 769 83 90 GLY HA2 H 4.240 0.03 1 770 83 90 GLY HA3 H 3.840 0.03 1 771 83 90 GLY C C 174.555 0.50 1 772 83 90 GLY CA C 45.510 0.50 1 773 83 90 GLY N N 108.212 0.25 1 774 84 91 ILE H H 7.850 0.03 1 775 84 91 ILE HA H 3.370 0.03 1 776 84 91 ILE HB H 1.470 0.03 1 777 84 91 ILE HG12 H 0.825 0.03 1 778 84 91 ILE HG13 H -0.560 0.03 1 779 84 91 ILE HG2 H 0.525 0.03 1 780 84 91 ILE HD1 H 0.010 0.03 1 781 84 91 ILE C C 173.611 0.50 1 782 84 91 ILE CA C 61.700 0.50 1 783 84 91 ILE CB C 37.610 0.50 1 784 84 91 ILE CG1 C 27.700 0.50 1 785 84 91 ILE CG2 C 17.900 0.50 1 786 84 91 ILE CD1 C 14.000 0.50 1 787 84 91 ILE N N 122.960 0.25 1 788 85 92 GLN H H 7.700 0.03 1 789 85 92 GLN HA H 3.880 0.03 1 790 85 92 GLN HB2 H 1.770 0.03 1 791 85 92 GLN HG2 H 2.050 0.03 1 792 85 92 GLN HE21 H 7.420 0.03 1 793 85 92 GLN HE22 H 6.640 0.03 1 794 85 92 GLN C C 174.756 0.50 1 795 85 92 GLN CA C 53.720 0.50 1 796 85 92 GLN CB C 31.150 0.50 1 797 85 92 GLN CG C 33.840 0.50 1 798 85 92 GLN N N 125.429 0.25 1 799 85 92 GLN NE2 N 112.280 0.25 1 800 86 93 ALA H H 6.886 0.03 1 801 86 93 ALA HA H 3.800 0.03 1 802 86 93 ALA HB H 1.085 0.03 1 803 86 93 ALA C C 177.201 0.50 1 804 86 93 ALA CA C 54.080 0.50 1 805 86 93 ALA CB C 18.410 0.50 1 806 86 93 ALA N N 118.217 0.25 1 807 87 94 ASP H H 8.223 0.03 1 808 87 94 ASP HA H 4.420 0.03 1 809 87 94 ASP HB2 H 2.795 0.03 1 810 87 94 ASP HB3 H 2.560 0.03 1 811 87 94 ASP C C 176.218 0.50 1 812 87 94 ASP CA C 54.060 0.50 1 813 87 94 ASP CB C 39.600 0.50 1 814 87 94 ASP N N 113.647 0.25 1 815 88 95 ALA H H 7.941 0.03 1 816 88 95 ALA HA H 4.306 0.03 1 817 88 95 ALA HB H 1.275 0.03 1 818 88 95 ALA C C 176.630 0.50 1 819 88 95 ALA CA C 53.320 0.50 1 820 88 95 ALA CB C 20.020 0.50 1 821 88 95 ALA N N 124.145 0.25 1 822 89 96 LYS H H 8.500 0.03 1 823 89 96 LYS HA H 4.826 0.03 1 824 89 96 LYS HB2 H 1.920 0.03 1 825 89 96 LYS HB3 H 1.810 0.03 1 826 89 96 LYS HG2 H 1.480 0.03 1 827 89 96 LYS HD2 H 1.680 0.03 1 828 89 96 LYS HE2 H 2.950 0.03 1 829 89 96 LYS C C 176.161 0.50 1 830 89 96 LYS CA C 54.736 0.50 1 831 89 96 LYS CB C 32.390 0.50 1 832 89 96 LYS CG C 24.140 0.50 1 833 89 96 LYS CD C 28.780 0.50 1 834 89 96 LYS CE C 42.000 0.50 1 835 89 96 LYS N N 120.897 0.25 1 836 90 97 LEU H H 8.566 0.03 1 837 90 97 LEU HA H 5.075 0.03 1 838 90 97 LEU HB2 H 1.770 0.03 1 839 90 97 LEU HB3 H 1.270 0.03 1 840 90 97 LEU HG H 1.420 0.03 1 841 90 97 LEU HD1 H 0.530 0.03 1 842 90 97 LEU HD2 H 0.290 0.03 1 843 90 97 LEU C C 176.394 0.50 1 844 90 97 LEU CA C 53.060 0.50 1 845 90 97 LEU CB C 44.850 0.50 1 846 90 97 LEU CG C 26.880 0.50 1 847 90 97 LEU CD1 C 25.500 0.50 1 848 90 97 LEU CD2 C 22.000 0.50 1 849 90 97 LEU N N 122.960 0.25 1 850 91 98 GLN H H 9.060 0.03 1 851 91 98 GLN HA H 5.710 0.03 1 852 91 98 GLN HB2 H 2.280 0.03 1 853 91 98 GLN HB3 H 2.225 0.03 1 854 91 98 GLN HG2 H 2.500 0.03 1 855 91 98 GLN HG3 H 2.720 0.03 1 856 91 98 GLN HE21 H 7.570 0.03 1 857 91 98 GLN HE22 H 6.870 0.03 1 858 91 98 GLN C C 174.144 0.50 1 859 91 98 GLN CA C 54.360 0.50 1 860 91 98 GLN CB C 32.290 0.50 1 861 91 98 GLN CG C 34.400 0.50 1 862 91 98 GLN N N 119.538 0.25 1 863 91 98 GLN NE2 N 111.037 0.25 1 864 92 99 PHE H H 9.290 0.03 1 865 92 99 PHE HA H 5.700 0.03 1 866 92 99 PHE HB2 H 2.560 0.03 1 867 92 99 PHE HB3 H 3.135 0.03 1 868 92 99 PHE C C 174.537 0.50 1 869 92 99 PHE CA C 54.190 0.50 1 870 92 99 PHE CB C 41.080 0.50 1 871 92 99 PHE N N 125.674 0.25 1 872 93 100 THR H H 8.945 0.03 1 873 93 100 THR HA H 5.100 0.03 1 874 93 100 THR HB H 3.960 0.03 1 875 93 100 THR HG2 H 1.270 0.03 1 876 93 100 THR C C 180.164 0.50 1 877 93 100 THR CA C 58.830 0.50 1 878 93 100 THR CB C 73.610 0.50 1 879 93 100 THR CG2 C 19.700 0.50 1 880 93 100 THR N N 124.543 0.25 1 881 94 101 PRO HA H 4.300 0.03 1 882 94 101 PRO HB2 H 2.206 0.03 1 883 94 101 PRO HG2 H 1.816 0.03 1 884 94 101 PRO HG3 H 1.950 0.03 1 885 94 101 PRO HD2 H 3.725 0.03 1 886 94 101 PRO CA C 63.570 0.50 1 887 94 101 PRO CB C 31.620 0.50 1 888 94 101 PRO CG C 27.2 0.50 1 889 94 101 PRO CD C 50.690 0.50 1 890 96 103 HIS HA H 4.358 0.03 1 891 96 103 HIS HB2 H 2.984 0.03 1 892 96 103 HIS C C 174.808 0.50 1 893 96 103 HIS CA C 56.595 0.50 1 894 96 103 HIS CB C 29.646 0.50 1 895 97 104 LYS H H 7.985 0.03 1 896 97 104 LYS C C 176.220 0.50 1 897 97 104 LYS CA C 56.386 0.50 1 898 97 104 LYS CB C 32.442 0.50 1 899 97 104 LYS CG C 24.241 0.50 1 900 97 104 LYS CD C 28.488 0.50 1 901 97 104 LYS CE C 41.584 0.50 1 902 97 104 LYS N N 120.773 0.25 1 903 98 105 LEU H H 8.062 0.03 1 904 98 105 LEU C C 176.953 0.50 1 905 98 105 LEU CA C 55.061 0.50 1 906 98 105 LEU CB C 43.761 0.50 1 907 98 105 LEU N N 122.256 0.25 1 908 99 106 LEU H H 8.013 0.03 1 909 99 106 LEU HA H 4.206 0.03 1 910 99 106 LEU HB2 H 1.460 0.03 1 911 99 106 LEU HB3 H 1.510 0.03 1 912 99 106 LEU HG H 1.450 0.03 1 913 99 106 LEU HD1 H 0.720 0.03 1 914 99 106 LEU C C 176.940 0.50 1 915 99 106 LEU CA C 54.950 0.50 1 916 99 106 LEU CB C 42.040 0.50 1 917 99 106 LEU CG C 26.770 0.50 1 918 99 106 LEU CD1 C 23.470 0.50 1 919 99 106 LEU N N 123.010 0.25 1 920 100 107 ARG H H 8.091 0.03 1 921 100 107 ARG HA H 4.205 0.03 1 922 100 107 ARG HB2 H 1.650 0.03 1 923 100 107 ARG HB3 H 1.723 0.03 1 924 100 107 ARG HD2 H 3.065 0.03 1 925 100 107 ARG C C 175.772 0.50 1 926 100 107 ARG CA C 55.620 0.50 1 927 100 107 ARG CB C 30.100 0.50 1 928 100 107 ARG CD C 43.150 0.50 1 929 100 107 ARG N N 121.353 0.25 1 930 101 108 LEU H H 8.032 0.03 1 931 101 108 LEU HA H 4.210 0.03 1 932 101 108 LEU HB2 H 1.500 0.03 1 933 101 108 LEU HB3 H 1.450 0.03 1 934 101 108 LEU HG H 1.450 0.03 1 935 101 108 LEU HD1 H 0.830 0.03 1 936 101 108 LEU HD2 H 0.830 0.03 1 937 101 108 LEU C C 176.744 0.50 1 938 101 108 LEU CA C 55.180 0.50 1 939 101 108 LEU CB C 42.030 0.50 1 940 101 108 LEU CG C 26.740 0.50 1 941 101 108 LEU CD1 C 23.130 0.50 1 942 101 108 LEU CD2 C 24.520 0.50 1 943 101 108 LEU N N 122.712 0.25 1 944 102 109 GLN H H 8.210 0.03 1 945 102 109 GLN HA H 4.280 0.03 1 946 102 109 GLN HB2 H 1.900 0.03 1 947 102 109 GLN HB3 H 2.000 0.03 1 948 102 109 GLN HG2 H 2.255 0.03 1 949 102 109 GLN C C 175.167 0.50 1 950 102 109 GLN CA C 55.310 0.50 1 951 102 109 GLN CB C 29.200 0.50 1 952 102 109 GLN CG C 33.460 0.50 1 953 102 109 GLN N N 121.063 0.25 1 954 103 110 LEU H H 8.183 0.03 1 955 103 110 LEU HA H 4.540 0.03 1 956 103 110 LEU HB2 H 1.570 0.03 1 957 103 110 LEU HD2 H 0.850 0.03 1 958 103 110 LEU C C 174.815 0.50 1 959 103 110 LEU CA C 52.800 0.50 1 960 103 110 LEU CB C 41.550 0.50 1 961 103 110 LEU CD2 C 22.860 0.50 1 962 103 110 LEU N N 125.202 0.25 1 stop_ save_