data_18578 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of the connexin45 carboxyl terminal domain: monomer and dimer conformations. ; _BMRB_accession_number 18578 _BMRB_flat_file_name bmr18578.str _Entry_type original _Submission_date 2012-07-06 _Accession_date 2012-07-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Carboxyl Terminal Domain of the Connexin45 Isoform' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kopanic Jennifer L. . 2 Sorgen Paul L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 625 "13C chemical shifts" 505 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2012-10-31 update BMRB 'switch the shifts of H and N of residue 117 ASN' 2012-10-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18577 'Connexin45 Carboxyl Terminal Domain, dimer' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical shift assignments of the connexin45 carboxyl terminal domain: monomer and dimer conformations.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23070843 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kopanic Jennifer L. . 2 Sorgen Paul L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 293 _Page_last 297 _Year 2013 _Details . loop_ _Keyword NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Connexin45 Carboxyl Terminal Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Connexin45 Carboxyl Terminal Domain' $Connexin45_Carboxyl_Terminal_Domain stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Connexin45_Carboxyl_Terminal_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Connexin45_Carboxyl_Terminal_Domain _Molecular_mass 15005.5 _Mol_thiol_state 'not present' _Details 'Monomer conformation of the Connexin45 Carboxyl Terminal Domain' ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; GSKRRELDDPGAYNYPFTWN TPSAPPGYNIAVKPDQIQYT ELSNAKIAYKQNKANIAQEQ QYGSHEEHLPADLETLQREI RMAQERLDLAIQAYHHQNNP HGPREKKAKVGSKSGSNKSS ISSKSGDGKTSVWI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 LYS 4 ARG 5 ARG 6 GLU 7 LEU 8 ASP 9 ASP 10 PRO 11 GLY 12 ALA 13 TYR 14 ASN 15 TYR 16 PRO 17 PHE 18 THR 19 TRP 20 ASN 21 THR 22 PRO 23 SER 24 ALA 25 PRO 26 PRO 27 GLY 28 TYR 29 ASN 30 ILE 31 ALA 32 VAL 33 LYS 34 PRO 35 ASP 36 GLN 37 ILE 38 GLN 39 TYR 40 THR 41 GLU 42 LEU 43 SER 44 ASN 45 ALA 46 LYS 47 ILE 48 ALA 49 TYR 50 LYS 51 GLN 52 ASN 53 LYS 54 ALA 55 ASN 56 ILE 57 ALA 58 GLN 59 GLU 60 GLN 61 GLN 62 TYR 63 GLY 64 SER 65 HIS 66 GLU 67 GLU 68 HIS 69 LEU 70 PRO 71 ALA 72 ASP 73 LEU 74 GLU 75 THR 76 LEU 77 GLN 78 ARG 79 GLU 80 ILE 81 ARG 82 MET 83 ALA 84 GLN 85 GLU 86 ARG 87 LEU 88 ASP 89 LEU 90 ALA 91 ILE 92 GLN 93 ALA 94 TYR 95 HIS 96 HIS 97 GLN 98 ASN 99 ASN 100 PRO 101 HIS 102 GLY 103 PRO 104 ARG 105 GLU 106 LYS 107 LYS 108 ALA 109 LYS 110 VAL 111 GLY 112 SER 113 LYS 114 SER 115 GLY 116 SER 117 ASN 118 LYS 119 SER 120 SER 121 ILE 122 SER 123 SER 124 LYS 125 SER 126 GLY 127 ASP 128 GLY 129 LYS 130 THR 131 SER 132 VAL 133 TRP 134 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 18577 Connexin45_Carboxyl_Terminal_Domain 100.00 134 100.00 100.00 5.07e-93 DBJ BAC34953 "unnamed protein product [Mus musculus]" 99.25 276 100.00 100.00 9.56e-91 EMBL CAA44814 "connexin 45 [Mus musculus]" 99.25 396 100.00 100.00 1.76e-89 EMBL CAC21557 "connexin 45 [Mus musculus]" 99.25 396 100.00 100.00 1.76e-89 GB AAH50840 "Gjc1 protein [Mus musculus]" 99.25 396 100.00 100.00 1.76e-89 GB AAH71230 "Gjc1 protein [Mus musculus]" 99.25 396 100.00 100.00 1.76e-89 GB AAI66405 "Gja7 protein [Rattus norvegicus]" 99.25 396 100.00 100.00 1.76e-89 GB AAN17802 "gap junction channel protein connexin 45 [Rattus norvegicus]" 89.55 383 100.00 100.00 2.74e-79 GB AAR98617 "connexin45 [Cricetulus griseus]" 99.25 396 100.00 100.00 1.76e-89 REF NP_001078850 "gap junction gamma-1 protein [Rattus norvegicus]" 99.25 396 100.00 100.00 1.76e-89 REF NP_001152854 "gap junction gamma-1 protein [Mus musculus]" 99.25 396 100.00 100.00 1.76e-89 REF NP_001152855 "gap junction gamma-1 protein [Mus musculus]" 99.25 396 100.00 100.00 1.76e-89 REF NP_001233715 "gap junction gamma-1 protein [Cricetulus griseus]" 99.25 396 100.00 100.00 1.76e-89 REF NP_001268477 "gap junction gamma-1 protein [Mesocricetus auratus]" 99.25 396 100.00 100.00 1.76e-89 SP A4GG66 "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" 99.25 396 100.00 100.00 1.76e-89 SP P28229 "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" 99.25 396 100.00 100.00 1.76e-89 SP Q6PYT3 "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" 99.25 396 100.00 100.00 1.76e-89 SP Q6R4A8 "RecName: Full=Gap junction gamma-1 protein; AltName: Full=Connexin-45; Short=Cx45; AltName: Full=Gap junction alpha-7 protein" 99.25 396 100.00 100.00 1.76e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Connexin45_Carboxyl_Terminal_Domain Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $Connexin45_Carboxyl_Terminal_Domain 'recombinant technology' . Escherichia coli 'Rosetta2 pLySs' pGEX-KT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_monomer_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Connexin45_Carboxyl_Terminal_Domain 0.9-1.2 mM '[U-98% 13C; U-98% 15N]' 'potassium chloride' 2.7 mM 'natural abundance' phosphate 11.9 mM 'natural abundance' 'sodium chloride' 137 mM 'natural abundance' acetonitrile 30 % '[U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $monomer_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $monomer_sample save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $monomer_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $monomer_sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $monomer_sample save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $monomer_sample save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $monomer_sample save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $monomer_sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $monomer_sample save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $monomer_sample save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $monomer_sample save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $monomer_sample save_ ####################### # Sample conditions # ####################### save_monomer_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 151.6 . mM pH 5.8 . pH pressure 1 . atm temperature 310 . 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 C 13 protons ppm 46.00 internal direct . . . 0.251449530 water H 1 protons ppm 4.658 internal direct . . . 1.000000000 water N 15 protons ppm 117.751 internal direct . . . 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_assignments_Cx45CTsequence _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $monomer_sample stop_ _Sample_conditions_label $monomer_sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Connexin45 Carboxyl Terminal Domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER C C 174.898 0.30 1 2 2 2 SER CA C 58.993 0.30 1 3 2 2 SER CB C 64.741 0.30 1 4 3 3 LYS H H 8.495 0.05 1 5 3 3 LYS HA H 4.281 0.05 1 6 3 3 LYS HB2 H 1.963 0.05 2 7 3 3 LYS HB3 H 1.963 0.05 2 8 3 3 LYS HG2 H 1.645 0.05 2 9 3 3 LYS HG3 H 1.645 0.05 2 10 3 3 LYS HD2 H 1.926 0.05 2 11 3 3 LYS HD3 H 1.926 0.05 2 12 3 3 LYS HE2 H 3.183 0.05 2 13 3 3 LYS HE3 H 3.183 0.05 2 14 3 3 LYS HZ H 7.587 0.05 1 15 3 3 LYS C C 176.420 0.30 1 16 3 3 LYS CA C 56.789 0.30 1 17 3 3 LYS CB C 33.613 0.30 1 18 3 3 LYS CG C 25.309 0.30 1 19 3 3 LYS CD C 29.766 0.30 1 20 3 3 LYS CE C 43.847 0.30 1 21 3 3 LYS N N 122.744 0.30 1 22 4 4 ARG H H 8.411 0.05 1 23 4 4 ARG HA H 4.536 0.05 1 24 4 4 ARG HB2 H 2.054 0.05 2 25 4 4 ARG HB3 H 2.054 0.05 2 26 4 4 ARG HG2 H 1.832 0.05 2 27 4 4 ARG HG3 H 1.832 0.05 2 28 4 4 ARG HD2 H 3.390 0.05 2 29 4 4 ARG HD3 H 3.390 0.05 2 30 4 4 ARG C C 176.248 0.30 1 31 4 4 ARG CA C 56.637 0.30 1 32 4 4 ARG CB C 31.558 0.30 1 33 4 4 ARG CG C 27.698 0.30 1 34 4 4 ARG CD C 44.537 0.30 1 35 4 4 ARG N N 121.729 0.30 1 36 5 5 ARG H H 8.507 0.05 1 37 5 5 ARG C C 176.452 0.30 1 38 5 5 ARG CA C 56.999 0.30 1 39 5 5 ARG CB C 31.461 0.30 1 40 5 5 ARG CG C 27.977 0.30 1 41 5 5 ARG CD C 44.351 0.30 1 42 5 5 ARG N N 122.299 0.30 1 43 6 6 GLU H H 8.819 0.05 1 44 6 6 GLU HA H 4.460 0.05 1 45 6 6 GLU HB2 H 2.121 0.05 2 46 6 6 GLU HB3 H 2.121 0.05 2 47 6 6 GLU HG2 H 2.234 0.05 2 48 6 6 GLU HG3 H 2.511 0.05 2 49 6 6 GLU C C 176.620 0.30 1 50 6 6 GLU CA C 57.486 0.30 1 51 6 6 GLU CB C 30.652 0.30 1 52 6 6 GLU CG C 37.094 0.30 1 53 6 6 GLU N N 121.318 0.30 1 54 7 7 LEU H H 8.159 0.05 1 55 7 7 LEU HA H 4.519 0.05 1 56 7 7 LEU HB2 H 1.857 0.05 2 57 7 7 LEU HB3 H 1.857 0.05 2 58 7 7 LEU HG H 1.197 0.05 1 59 7 7 LEU HD1 H 1.035 0.05 2 60 7 7 LEU HD2 H 1.035 0.05 2 61 7 7 LEU C C 176.837 0.30 1 62 7 7 LEU CA C 54.949 0.30 1 63 7 7 LEU CB C 43.034 0.30 1 64 7 7 LEU CG C 28.163 0.30 1 65 7 7 LEU CD1 C 26.116 0.30 1 66 7 7 LEU CD2 C 24.255 0.30 1 67 7 7 LEU N N 120.197 0.30 1 68 8 8 ASP H H 8.189 0.05 1 69 8 8 ASP HA H 4.779 0.05 1 70 8 8 ASP HB2 H 2.842 0.05 2 71 8 8 ASP HB3 H 1.470 0.05 2 72 8 8 ASP C C 175.480 0.30 1 73 8 8 ASP CA C 54.680 0.30 1 74 8 8 ASP CB C 41.829 0.30 1 75 8 8 ASP N N 119.636 0.30 1 76 9 9 ASP H H 8.073 0.05 1 77 9 9 ASP HA H 5.093 0.05 1 78 9 9 ASP HB2 H 2.756 0.05 2 79 9 9 ASP HB3 H 2.983 0.05 2 80 9 9 ASP CA C 52.303 0.30 1 81 9 9 ASP CB C 42.577 0.30 1 82 9 9 ASP N N 120.573 0.30 1 83 10 10 PRO C C 177.826 0.30 1 84 10 10 PRO CA C 64.595 0.30 1 85 10 10 PRO CB C 32.530 0.30 1 86 10 10 PRO CG C 27.977 0.30 1 87 10 10 PRO CD C 51.794 0.30 1 88 11 11 GLY H H 8.699 0.05 1 89 11 11 GLY HA2 H 4.153 0.05 2 90 11 11 GLY HA3 H 3.998 0.05 2 91 11 11 GLY C C 174.415 0.30 1 92 11 11 GLY CA C 46.022 0.30 1 93 11 11 GLY N N 107.455 0.30 1 94 12 12 ALA H H 7.948 0.05 1 95 12 12 ALA HA H 4.379 0.05 1 96 12 12 ALA HB H 1.468 0.05 1 97 12 12 ALA C C 177.373 0.30 1 98 12 12 ALA CA C 53.227 0.30 1 99 12 12 ALA CB C 19.965 0.30 1 100 12 12 ALA N N 122.566 0.30 1 101 13 13 TYR H H 7.932 0.05 1 102 13 13 TYR HA H 4.635 0.05 1 103 13 13 TYR HB2 H 3.033 0.05 2 104 13 13 TYR HB3 H 3.192 0.05 2 105 13 13 TYR C C 175.325 0.30 1 106 13 13 TYR CA C 58.447 0.30 1 107 13 13 TYR CB C 39.212 0.30 1 108 13 13 TYR N N 117.005 0.30 1 109 14 14 ASN H H 8.055 0.05 1 110 14 14 ASN HA H 4.486 0.05 1 111 14 14 ASN HB2 H 2.517 0.05 2 112 14 14 ASN HB3 H 2.875 0.05 2 113 14 14 ASN C C 174.167 0.30 1 114 14 14 ASN CA C 53.533 0.30 1 115 14 14 ASN CB C 39.718 0.30 1 116 14 14 ASN N N 118.762 0.30 1 117 15 15 TYR H H 7.966 0.05 1 118 15 15 TYR HA H 4.909 0.05 1 119 15 15 TYR HB2 H 2.972 0.05 2 120 15 15 TYR HB3 H 3.134 0.05 2 121 15 15 TYR C C 174.354 0.30 1 122 15 15 TYR CA C 56.596 0.30 1 123 15 15 TYR CB C 39.186 0.30 1 124 15 15 TYR N N 120.613 0.30 1 125 16 16 PRO C C 176.242 0.30 1 126 16 16 PRO CA C 63.852 0.30 1 127 16 16 PRO CB C 32.010 0.30 1 128 16 16 PRO CG C 27.605 0.30 1 129 16 16 PRO CD C 51.050 0.30 1 130 17 17 PHE H H 7.766 0.05 1 131 17 17 PHE HA H 4.788 0.05 1 132 17 17 PHE HB2 H 3.191 0.05 2 133 17 17 PHE HB3 H 3.191 0.05 2 134 17 17 PHE HD1 H 6.262 0.05 3 135 17 17 PHE HD2 H 6.262 0.05 3 136 17 17 PHE HE1 H 7.715 0.05 3 137 17 17 PHE HE2 H 7.715 0.05 3 138 17 17 PHE C C 175.697 0.30 1 139 17 17 PHE CA C 58.052 0.30 1 140 17 17 PHE CB C 39.795 0.30 1 141 17 17 PHE N N 118.163 0.30 1 142 18 18 THR H H 7.890 0.05 1 143 18 18 THR HA H 4.496 0.05 1 144 18 18 THR HB H 4.350 0.05 1 145 18 18 THR HG2 H 1.299 0.05 1 146 18 18 THR C C 174.173 0.30 1 147 18 18 THR CA C 62.282 0.30 1 148 18 18 THR CB C 70.445 0.30 1 149 18 18 THR N N 113.288 0.30 1 150 19 19 TRP H H 8.020 0.05 1 151 19 19 TRP HA H 4.866 0.05 1 152 19 19 TRP HB2 H 3.454 0.05 2 153 19 19 TRP HB3 H 3.454 0.05 2 154 19 19 TRP C C 175.720 0.30 1 155 19 19 TRP CA C 57.655 0.30 1 156 19 19 TRP CB C 30.147 0.30 1 157 19 19 TRP N N 121.898 0.30 1 158 20 20 ASN H H 8.225 0.05 1 159 20 20 ASN HA H 4.968 0.05 1 160 20 20 ASN HB2 H 2.252 0.05 2 161 20 20 ASN HB3 H 2.560 0.05 2 162 20 20 ASN C C 174.551 0.30 1 163 20 20 ASN CA C 53.688 0.30 1 164 20 20 ASN CB C 39.740 0.30 1 165 20 20 ASN N N 119.099 0.30 1 166 21 21 THR H H 7.984 0.05 1 167 21 21 THR HA H 4.784 0.05 1 168 21 21 THR HB H 4.351 0.05 1 169 21 21 THR HG2 H 1.410 0.05 1 170 21 21 THR C C 173.100 0.30 1 171 21 21 THR CA C 60.117 0.30 1 172 21 21 THR CB C 70.262 0.30 1 173 21 21 THR N N 115.189 0.30 1 174 22 22 PRO C C 176.646 0.30 1 175 22 22 PRO CA C 63.952 0.30 1 176 22 22 PRO CB C 32.536 0.30 1 177 22 22 PRO CG C 28.163 0.30 1 178 22 22 PRO CD C 52.166 0.30 1 179 23 23 SER H H 8.222 0.05 1 180 23 23 SER HA H 4.658 0.05 1 181 23 23 SER HB2 H 4.007 0.05 2 182 23 23 SER HB3 H 4.007 0.05 2 183 23 23 SER C C 173.516 0.30 1 184 23 23 SER CA C 58.551 0.30 1 185 23 23 SER CB C 64.767 0.30 1 186 23 23 SER N N 114.697 0.30 1 187 24 24 ALA H H 8.136 0.05 1 188 24 24 ALA HA H 4.744 0.05 1 189 24 24 ALA HB H 1.488 0.05 1 190 24 24 ALA C C 174.684 0.30 1 191 24 24 ALA CA C 50.814 0.30 1 192 24 24 ALA CB C 19.355 0.30 1 193 24 24 ALA N N 125.523 0.30 1 194 26 26 PRO C C 177.420 0.30 1 195 26 26 PRO CA C 63.957 0.30 1 196 26 26 PRO CB C 32.439 0.30 1 197 26 26 PRO CG C 28.070 0.30 1 198 26 26 PRO CD C 51.143 0.30 1 199 27 27 GLY H H 8.404 0.05 1 200 27 27 GLY HA2 H 3.995 0.05 2 201 27 27 GLY HA3 H 4.189 0.05 2 202 27 27 GLY C C 173.967 0.30 1 203 27 27 GLY CA C 45.980 0.30 1 204 27 27 GLY N N 108.202 0.30 1 205 28 28 TYR H H 7.998 0.05 1 206 28 28 TYR HA H 4.691 0.05 1 207 28 28 TYR HB2 H 3.196 0.05 2 208 28 28 TYR HB3 H 3.196 0.05 2 209 28 28 TYR HD1 H 6.264 0.05 3 210 28 28 TYR HD2 H 7.148 0.05 3 211 28 28 TYR HE1 H 6.264 0.05 3 212 28 28 TYR HE2 H 7.148 0.05 3 213 28 28 TYR C C 175.310 0.30 1 214 28 28 TYR CA C 58.565 0.30 1 215 28 28 TYR CB C 39.417 0.30 1 216 28 28 TYR N N 119.149 0.30 1 217 29 29 ASN H H 8.323 0.05 1 218 29 29 ASN HA H 4.866 0.05 1 219 29 29 ASN HB2 H 2.799 0.05 2 220 29 29 ASN HB3 H 2.799 0.05 2 221 29 29 ASN C C 174.741 0.30 1 222 29 29 ASN CA C 53.702 0.30 1 223 29 29 ASN CB C 39.517 0.30 1 224 29 29 ASN N N 119.519 0.30 1 225 30 30 ILE H H 7.927 0.05 1 226 30 30 ILE HA H 4.351 0.05 1 227 30 30 ILE HB H 2.074 0.05 1 228 30 30 ILE HG12 H 1.363 0.05 1 229 30 30 ILE HG13 H 1.636 0.05 1 230 30 30 ILE HG2 H 1.105 0.05 1 231 30 30 ILE HD1 H 1.105 0.05 1 232 30 30 ILE C C 175.360 0.30 1 233 30 30 ILE CA C 61.787 0.30 1 234 30 30 ILE CB C 39.672 0.30 1 235 30 30 ILE CG1 C 28.163 0.30 1 236 30 30 ILE CG2 C 18.328 0.30 1 237 30 30 ILE CD1 C 13.733 0.30 1 238 30 30 ILE N N 119.318 0.30 1 239 31 31 ALA H H 8.237 0.05 1 240 31 31 ALA HA H 4.594 0.05 1 241 31 31 ALA HB H 1.570 0.05 1 242 31 31 ALA C C 177.054 0.30 1 243 31 31 ALA CA C 52.726 0.30 1 244 31 31 ALA CB C 20.023 0.30 1 245 31 31 ALA N N 126.166 0.30 1 246 32 32 VAL H H 7.905 0.05 1 247 32 32 VAL HA H 4.339 0.05 1 248 32 32 VAL HB H 2.246 0.05 1 249 32 32 VAL HG1 H 1.109 0.05 2 250 32 32 VAL HG2 H 1.109 0.05 2 251 32 32 VAL C C 175.377 0.30 1 252 32 32 VAL CA C 62.355 0.30 1 253 32 32 VAL CB C 33.562 0.30 1 254 32 32 VAL CG1 C 21.325 0.30 1 255 32 32 VAL CG2 C 21.325 0.30 1 256 32 32 VAL N N 117.946 0.30 1 257 33 33 LYS H H 8.286 0.05 1 258 33 33 LYS HA H 4.838 0.05 1 259 33 33 LYS HB2 H 2.078 0.05 2 260 33 33 LYS HB3 H 2.078 0.05 2 261 33 33 LYS HG2 H 1.680 0.05 2 262 33 33 LYS HG3 H 1.680 0.05 2 263 33 33 LYS HD2 H 1.904 0.05 2 264 33 33 LYS HD3 H 1.904 0.05 2 265 33 33 LYS HE2 H 3.197 0.05 2 266 33 33 LYS HE3 H 3.197 0.05 2 267 33 33 LYS C C 175.160 0.30 1 268 33 33 LYS CA C 54.566 0.30 1 269 33 33 LYS CB C 33.515 0.30 1 270 33 33 LYS N N 124.779 0.30 1 271 34 34 PRO C C 176.833 0.30 1 272 34 34 PRO CA C 64.405 0.30 1 273 34 34 PRO CB C 32.514 0.30 1 274 34 34 PRO CG C 28.018 0.30 1 275 34 34 PRO CD C 51.392 0.30 1 276 35 35 ASP H H 8.485 0.05 1 277 35 35 ASP HA H 4.712 0.05 1 278 35 35 ASP HB2 H 2.877 0.05 2 279 35 35 ASP HB3 H 2.877 0.05 2 280 35 35 ASP C C 176.507 0.30 1 281 35 35 ASP CA C 55.131 0.30 1 282 35 35 ASP CB C 41.209 0.30 1 283 35 35 ASP N N 117.762 0.30 1 284 36 36 GLN H H 8.207 0.05 1 285 36 36 GLN HA H 4.546 0.05 1 286 36 36 GLN HB2 H 2.226 0.05 2 287 36 36 GLN HB3 H 2.340 0.05 2 288 36 36 GLN HG2 H 2.577 0.05 2 289 36 36 GLN HG3 H 2.577 0.05 2 290 36 36 GLN HE21 H 6.961 0.05 2 291 36 36 GLN HE22 H 7.760 0.05 2 292 36 36 GLN C C 176.346 0.30 1 293 36 36 GLN CA C 56.642 0.30 1 294 36 36 GLN CB C 30.166 0.30 1 295 36 36 GLN CG C 35.010 0.30 1 296 36 36 GLN N N 118.723 0.30 1 297 37 37 ILE H H 8.005 0.05 1 298 37 37 ILE HA H 4.270 0.05 1 299 37 37 ILE HB H 2.041 0.05 1 300 37 37 ILE HG12 H 1.360 0.05 1 301 37 37 ILE HG13 H 1.706 0.05 1 302 37 37 ILE HG2 H 0.981 0.05 1 303 37 37 ILE HD1 H 0.981 0.05 1 304 37 37 ILE C C 176.181 0.30 1 305 37 37 ILE CA C 62.363 0.30 1 306 37 37 ILE CB C 39.189 0.30 1 307 37 37 ILE CG1 C 28.717 0.30 1 308 37 37 ILE CG2 C 17.829 0.30 1 309 37 37 ILE CD1 C 13.434 0.30 1 310 37 37 ILE N N 120.463 0.30 1 311 38 38 GLN H H 8.352 0.05 1 312 38 38 GLN HA H 4.481 0.05 1 313 38 38 GLN HB2 H 2.135 0.05 2 314 38 38 GLN HB3 H 2.135 0.05 2 315 38 38 GLN HG2 H 2.429 0.05 2 316 38 38 GLN HG3 H 2.429 0.05 2 317 38 38 GLN C C 176.040 0.30 1 318 38 38 GLN CA C 56.612 0.30 1 319 38 38 GLN CB C 30.092 0.30 1 320 38 38 GLN CG C 34.910 0.30 1 321 38 38 GLN N N 122.388 0.30 1 322 39 39 TYR H H 8.258 0.05 1 323 39 39 TYR HA H 4.740 0.05 1 324 39 39 TYR HB2 H 3.165 0.05 2 325 39 39 TYR HB3 H 3.312 0.05 2 326 39 39 TYR C C 176.449 0.30 1 327 39 39 TYR CA C 59.389 0.30 1 328 39 39 TYR CB C 39.237 0.30 1 329 39 39 TYR N N 120.515 0.30 1 330 40 40 THR H H 8.088 0.05 1 331 40 40 THR HA H 4.710 0.05 1 332 40 40 THR HB H 4.422 0.05 1 333 40 40 THR HG2 H 1.396 0.05 1 334 40 40 THR C C 174.881 0.30 1 335 40 40 THR CA C 63.334 0.30 1 336 40 40 THR CB C 70.154 0.30 1 337 40 40 THR CG2 C 22.524 0.30 1 338 40 40 THR N N 114.524 0.30 1 339 41 41 GLU H H 8.474 0.05 1 340 41 41 GLU HA H 4.455 0.05 1 341 41 41 GLU HB2 H 2.187 0.05 2 342 41 41 GLU HB3 H 2.187 0.05 2 343 41 41 GLU HG2 H 2.473 0.05 2 344 41 41 GLU HG3 H 2.473 0.05 2 345 41 41 GLU C C 177.181 0.30 1 346 41 41 GLU CA C 57.954 0.30 1 347 41 41 GLU CB C 30.615 0.30 1 348 41 41 GLU CG C 36.708 0.30 1 349 41 41 GLU N N 122.136 0.30 1 350 42 42 LEU H H 8.210 0.05 1 351 42 42 LEU HA H 4.450 0.05 1 352 42 42 LEU HB2 H 1.845 0.05 2 353 42 42 LEU HB3 H 1.845 0.05 2 354 42 42 LEU HG H 1.115 0.05 1 355 42 42 LEU C C 177.808 0.30 1 356 42 42 LEU CA C 56.492 0.30 1 357 42 42 LEU CB C 30.604 0.30 1 358 42 42 LEU CG C 25.720 0.30 1 359 42 42 LEU CD1 C 24.222 0.30 1 360 42 42 LEU CD2 C 24.222 0.30 1 361 42 42 LEU N N 121.319 0.30 1 362 43 43 SER H H 8.199 0.05 1 363 43 43 SER HA H 4.499 0.05 1 364 43 43 SER HB2 H 8.198 0.05 2 365 43 43 SER HB3 H 4.041 0.05 2 366 43 43 SER C C 178.541 0.30 1 367 43 43 SER CA C 59.940 0.30 1 368 43 43 SER CB C 64.296 0.30 1 369 43 43 SER N N 114.697 0.30 1 370 44 44 ASN H H 8.342 0.05 1 371 44 44 ASN C C 175.675 0.30 1 372 44 44 ASN CA C 54.354 0.30 1 373 44 44 ASN CB C 39.184 0.30 1 374 44 44 ASN N N 119.873 0.30 1 375 45 45 ALA H H 8.188 0.05 1 376 45 45 ALA HA H 4.444 0.05 1 377 45 45 ALA HB H 1.633 0.05 1 378 45 45 ALA C C 178.042 0.30 1 379 45 45 ALA CA C 54.155 0.30 1 380 45 45 ALA CB C 19.576 0.30 1 381 45 45 ALA N N 123.022 0.30 1 382 46 46 LYS H H 8.157 0.05 1 383 46 46 LYS HA H 4.448 0.05 1 384 46 46 LYS HB2 H 2.023 0.05 2 385 46 46 LYS HB3 H 2.023 0.05 2 386 46 46 LYS HG2 H 1.658 0.05 2 387 46 46 LYS HG3 H 1.658 0.05 2 388 46 46 LYS HD2 H 1.877 0.05 2 389 46 46 LYS HD3 H 1.877 0.05 2 390 46 46 LYS HE2 H 3.180 0.05 2 391 46 46 LYS HE3 H 3.180 0.05 2 392 46 46 LYS C C 177.083 0.30 1 393 46 46 LYS CA C 57.598 0.30 1 394 46 46 LYS CB C 33.357 0.30 1 395 46 46 LYS CG C 25.521 0.30 1 396 46 46 LYS CD C 29.916 0.30 1 397 46 46 LYS CE C 43.002 0.30 1 398 46 46 LYS N N 118.072 0.30 1 399 47 47 ILE H H 7.881 0.05 1 400 47 47 ILE HA H 4.269 0.05 1 401 47 47 ILE HB H 2.063 0.05 1 402 47 47 ILE HG12 H 1.374 0.05 1 403 47 47 ILE HG13 H 1.693 0.05 1 404 47 47 ILE HG2 H 1.058 0.05 1 405 47 47 ILE HD1 H 1.058 0.05 1 406 47 47 ILE C C 176.200 0.30 1 407 47 47 ILE CA C 62.355 0.30 1 408 47 47 ILE CB C 39.273 0.30 1 409 47 47 ILE CG1 C 28.318 0.30 1 410 47 47 ILE CG2 C 18.129 0.30 1 411 47 47 ILE CD1 C 13.534 0.30 1 412 47 47 ILE N N 118.984 0.30 1 413 48 48 ALA H H 8.162 0.05 1 414 48 48 ALA HA H 4.462 0.05 1 415 48 48 ALA HB H 1.527 0.05 1 416 48 48 ALA C C 177.694 0.30 1 417 48 48 ALA CA C 53.588 0.30 1 418 48 48 ALA CB C 19.950 0.30 1 419 48 48 ALA N N 125.314 0.30 1 420 49 49 TYR H H 8.033 0.05 1 421 49 49 TYR HA H 4.687 0.05 1 422 49 49 TYR HB2 H 3.227 0.05 2 423 49 49 TYR HB3 H 3.227 0.05 2 424 49 49 TYR C C 176.103 0.30 1 425 49 49 TYR CA C 59.007 0.30 1 426 49 49 TYR CB C 39.243 0.30 1 427 49 49 TYR N N 118.166 0.30 1 428 50 50 LYS H H 8.087 0.05 1 429 50 50 LYS HA H 4.415 0.05 1 430 50 50 LYS HB2 H 1.976 0.05 2 431 50 50 LYS HB3 H 1.976 0.05 2 432 50 50 LYS HG2 H 1.597 0.05 2 433 50 50 LYS HG3 H 1.597 0.05 2 434 50 50 LYS HE2 H 3.190 0.05 2 435 50 50 LYS HE3 H 3.190 0.05 2 436 50 50 LYS C C 176.546 0.30 1 437 50 50 LYS CA C 57.133 0.30 1 438 50 50 LYS CB C 33.543 0.30 1 439 50 50 LYS CG C 25.321 0.30 1 440 50 50 LYS CD C 29.816 0.30 1 441 50 50 LYS CE C 43.301 0.30 1 442 50 50 LYS N N 120.993 0.30 1 443 51 51 GLN H H 8.306 0.05 1 444 51 51 GLN HA H 4.452 0.05 1 445 51 51 GLN HB2 H 2.197 0.05 2 446 51 51 GLN HB3 H 2.561 0.05 2 447 51 51 GLN HG2 H 2.923 0.05 2 448 51 51 GLN HG3 H 2.923 0.05 2 449 51 51 GLN C C 175.900 0.30 1 450 51 51 GLN CA C 56.913 0.30 1 451 51 51 GLN CB C 30.072 0.30 1 452 51 51 GLN CG C 35.110 0.30 1 453 51 51 GLN N N 119.802 0.30 1 454 52 52 ASN H H 8.416 0.05 1 455 52 52 ASN HA H 4.876 0.05 1 456 52 52 ASN HB2 H 3.005 0.05 2 457 52 52 ASN HB3 H 3.005 0.05 2 458 52 52 ASN C C 175.403 0.30 1 459 52 52 ASN CA C 54.125 0.30 1 460 52 52 ASN CB C 39.677 0.30 1 461 52 52 ASN N N 119.308 0.30 1 462 53 53 LYS H H 8.297 0.05 1 463 53 53 LYS HA H 4.454 0.05 1 464 53 53 LYS HB2 H 2.004 0.05 2 465 53 53 LYS HB3 H 2.004 0.05 2 466 53 53 LYS HG2 H 1.626 0.05 2 467 53 53 LYS HG3 H 1.626 0.05 2 468 53 53 LYS HD2 H 1.924 0.05 2 469 53 53 LYS HD3 H 1.924 0.05 2 470 53 53 LYS HE2 H 3.192 0.05 2 471 53 53 LYS HE3 H 3.192 0.05 2 472 53 53 LYS C C 176.303 0.30 1 473 53 53 LYS CA C 57.107 0.30 1 474 53 53 LYS CB C 33.496 0.30 1 475 53 53 LYS CG C 25.521 0.30 1 476 53 53 LYS CD C 29.716 0.30 1 477 53 53 LYS CE C 43.201 0.30 1 478 53 53 LYS N N 121.054 0.30 1 479 54 54 ALA H H 8.281 0.05 1 480 54 54 ALA HA H 4.466 0.05 1 481 54 54 ALA HB H 1.572 0.05 1 482 54 54 ALA C C 177.519 0.30 1 483 54 54 ALA CA C 53.280 0.30 1 484 54 54 ALA CB C 19.983 0.30 1 485 54 54 ALA N N 123.115 0.30 1 486 55 55 ASN H H 8.338 0.05 1 487 55 55 ASN HA H 4.902 0.05 1 488 55 55 ASN HB2 H 2.998 0.05 2 489 55 55 ASN HB3 H 2.998 0.05 2 490 55 55 ASN C C 175.462 0.30 1 491 55 55 ASN CA C 53.752 0.30 1 492 55 55 ASN CB C 39.327 0.30 1 493 55 55 ASN N N 117.156 0.30 1 494 56 56 ILE H H 7.998 0.05 1 495 56 56 ILE HA H 4.339 0.05 1 496 56 56 ILE HB H 2.101 0.05 1 497 56 56 ILE HG12 H 1.680 0.05 1 498 56 56 ILE HG13 H 1.680 0.05 1 499 56 56 ILE HG2 H 1.112 0.05 1 500 56 56 ILE HD1 H 1.378 0.05 1 501 56 56 ILE C C 176.052 0.30 1 502 56 56 ILE CA C 62.264 0.30 1 503 56 56 ILE CB C 39.353 0.30 1 504 56 56 ILE CG1 C 28.018 0.30 1 505 56 56 ILE CG2 C 18.029 0.30 1 506 56 56 ILE CD1 C 13.534 0.30 1 507 56 56 ILE N N 119.648 0.30 1 508 57 57 ALA H H 8.324 0.05 1 509 57 57 ALA HA H 4.506 0.05 1 510 57 57 ALA HB H 1.609 0.05 1 511 57 57 ALA C C 177.993 0.30 1 512 57 57 ALA CA C 53.417 0.30 1 513 57 57 ALA CB C 19.581 0.30 1 514 57 57 ALA N N 125.850 0.30 1 515 58 58 GLN H H 8.267 0.05 1 516 58 58 GLN HA H 4.458 0.05 1 517 58 58 GLN HB2 H 2.226 0.05 2 518 58 58 GLN HB3 H 2.226 0.05 2 519 58 58 GLN HG2 H 2.572 0.05 2 520 58 58 GLN HG3 H 2.572 0.05 2 521 58 58 GLN C C 176.473 0.30 1 522 58 58 GLN CA C 57.074 0.30 1 523 58 58 GLN CB C 30.112 0.30 1 524 58 58 GLN CG C 35.010 0.30 1 525 58 58 GLN N N 118.574 0.30 1 526 59 59 GLU H H 8.504 0.05 1 527 59 59 GLU HA H 4.437 0.05 1 528 59 59 GLU HB2 H 2.188 0.05 2 529 59 59 GLU HB3 H 2.188 0.05 2 530 59 59 GLU HG2 H 2.496 0.05 2 531 59 59 GLU HG3 H 2.496 0.05 2 532 59 59 GLU C C 176.894 0.30 1 533 59 59 GLU CA C 57.587 0.30 1 534 59 59 GLU CB C 30.526 0.30 1 535 59 59 GLU CG C 37.008 0.30 1 536 59 59 GLU N N 120.622 0.30 1 537 60 60 GLN H H 8.346 0.05 1 538 60 60 GLN HA H 4.418 0.05 1 539 60 60 GLN HB2 H 1.031 0.05 2 540 60 60 GLN HB3 H 2.160 0.05 2 541 60 60 GLN HG2 H 2.501 0.05 2 542 60 60 GLN HG3 H 2.948 0.05 2 543 60 60 GLN C C 176.083 0.30 1 544 60 60 GLN CA C 56.628 0.30 1 545 60 60 GLN CB C 30.091 0.30 1 546 60 60 GLN CG C 33.712 0.30 1 547 60 60 GLN N N 119.663 0.30 1 548 61 61 GLN H H 8.284 0.05 1 549 61 61 GLN HA H 4.460 0.05 1 550 61 61 GLN HB2 H 1.576 0.05 2 551 61 61 GLN HB3 H 2.105 0.05 2 552 61 61 GLN HG2 H 2.427 0.05 2 553 61 61 GLN HG3 H 2.427 0.05 2 554 61 61 GLN C C 175.899 0.30 1 555 61 61 GLN CA C 56.636 0.30 1 556 61 61 GLN CB C 30.076 0.30 1 557 61 61 GLN CG C 35.210 0.30 1 558 61 61 GLN N N 119.891 0.30 1 559 62 62 TYR H H 8.237 0.05 1 560 62 62 TYR HA H 4.772 0.05 1 561 62 62 TYR HB2 H 3.315 0.05 2 562 62 62 TYR HB3 H 3.138 0.05 2 563 62 62 TYR C C 176.397 0.30 1 564 62 62 TYR CA C 58.561 0.30 1 565 62 62 TYR CB C 39.327 0.30 1 566 62 62 TYR N N 119.996 0.30 1 567 63 63 GLY H H 8.354 0.05 1 568 63 63 GLY HA2 H 4.142 0.05 2 569 63 63 GLY HA3 H 4.142 0.05 2 570 63 63 GLY CA C 45.998 0.30 1 571 63 63 GLY N N 109.618 0.30 1 572 64 64 SER H H 8.228 0.05 1 573 64 64 SER HA H 4.637 0.05 1 574 64 64 SER HB2 H 4.035 0.05 2 575 64 64 SER HB3 H 4.035 0.05 2 576 64 64 SER C C 174.080 0.30 1 577 64 64 SER CA C 58.965 0.30 1 578 64 64 SER CB C 64.672 0.30 1 579 64 64 SER N N 114.968 0.30 1 580 65 65 HIS H H 8.602 0.05 1 581 65 65 HIS HA H 4.903 0.05 1 582 65 65 HIS HB2 H 3.450 0.05 2 583 65 65 HIS HB3 H 3.354 0.05 2 584 65 65 HIS C C 174.549 0.30 1 585 65 65 HIS CA C 56.435 0.30 1 586 65 65 HIS CB C 30.121 0.30 1 587 65 65 HIS N N 120.279 0.30 1 588 66 66 GLU H H 8.505 0.05 1 589 66 66 GLU HA H 4.440 0.05 1 590 66 66 GLU HB2 H 2.196 0.05 2 591 66 66 GLU HB3 H 2.040 0.05 2 592 66 66 GLU HG2 H 2.421 0.05 2 593 66 66 GLU HG3 H 2.421 0.05 2 594 66 66 GLU C C 176.181 0.30 1 595 66 66 GLU CA C 57.062 0.30 1 596 66 66 GLU CB C 31.015 0.30 1 597 66 66 GLU CG C 37.208 0.30 1 598 66 66 GLU N N 121.395 0.30 1 599 67 67 GLU H H 8.549 0.05 1 600 67 67 GLU HA H 4.454 0.05 1 601 67 67 GLU HB2 H 2.116 0.05 2 602 67 67 GLU HB3 H 2.116 0.05 2 603 67 67 GLU HG2 H 2.435 0.05 2 604 67 67 GLU HG3 H 2.435 0.05 2 605 67 67 GLU C C 175.958 0.30 1 606 67 67 GLU CA C 57.075 0.30 1 607 67 67 GLU CB C 31.061 0.30 1 608 67 67 GLU N N 121.451 0.30 1 609 68 68 HIS H H 8.490 0.05 1 610 68 68 HIS HA H 4.924 0.05 1 611 68 68 HIS HB2 H 3.286 0.05 2 612 68 68 HIS HB3 H 3.413 0.05 2 613 68 68 HIS C C 174.270 0.30 1 614 68 68 HIS CA C 55.643 0.30 1 615 68 68 HIS CB C 30.620 0.30 1 616 68 68 HIS N N 119.053 0.30 1 617 69 69 LEU H H 8.463 0.05 1 618 69 69 LEU HA H 4.762 0.05 1 619 69 69 LEU HB2 H 1.818 0.05 2 620 69 69 LEU HB3 H 1.818 0.05 2 621 69 69 LEU HG H 1.699 0.05 1 622 69 69 LEU C C 175.127 0.30 1 623 69 69 LEU CA C 53.724 0.30 1 624 69 69 LEU CB C 42.618 0.30 1 625 69 69 LEU N N 123.722 0.30 1 626 70 70 PRO C C 176.909 0.30 1 627 70 70 PRO CA C 63.817 0.30 1 628 70 70 PRO CB C 32.521 0.30 1 629 71 71 ALA H H 8.414 0.05 1 630 71 71 ALA HA H 4.436 0.05 1 631 71 71 ALA HB H 1.618 0.05 1 632 71 71 ALA C C 178.037 0.30 1 633 71 71 ALA CA C 54.142 0.30 1 634 71 71 ALA CB C 19.981 0.30 1 635 71 71 ALA N N 123.060 0.30 1 636 72 72 ASP H H 8.439 0.05 1 637 72 72 ASP HA H 4.440 0.05 1 638 72 72 ASP HB2 H 2.189 0.05 2 639 72 72 ASP HB3 H 1.627 0.05 2 640 72 72 ASP C C 177.181 0.30 1 641 72 72 ASP CA C 55.288 0.30 1 642 72 72 ASP CB C 41.307 0.30 1 643 72 72 ASP N N 117.460 0.30 1 644 73 73 LEU H H 8.221 0.05 1 645 73 73 LEU HA H 4.527 0.05 1 646 73 73 LEU HB2 H 1.882 0.05 2 647 73 73 LEU HB3 H 1.882 0.05 2 648 73 73 LEU HG H 1.129 0.05 1 649 73 73 LEU C C 178.627 0.30 1 650 73 73 LEU CA C 57.953 0.30 1 651 73 73 LEU CB C 42.705 0.30 1 652 73 73 LEU CG C 28.118 0.30 1 653 73 73 LEU N N 121.501 0.30 1 654 74 74 GLU H H 8.506 0.05 1 655 74 74 GLU HA H 4.229 0.05 1 656 74 74 GLU HB2 H 1.835 0.05 2 657 74 74 GLU HB3 H 1.835 0.05 2 658 74 74 GLU HG2 H 1.983 0.05 2 659 74 74 GLU HG3 H 1.983 0.05 2 660 74 74 GLU C C 179.151 0.30 1 661 74 74 GLU CA C 60.093 0.30 1 662 74 74 GLU CB C 30.060 0.30 1 663 74 74 GLU CG C 37.308 0.30 1 664 74 74 GLU N N 119.824 0.30 1 665 75 75 THR H H 8.306 0.05 1 666 75 75 THR HA H 4.445 0.05 1 667 75 75 THR HB H 4.132 0.05 1 668 75 75 THR C C 176.277 0.30 1 669 75 75 THR CA C 66.859 0.30 1 670 75 75 THR CB C 69.001 0.30 1 671 75 75 THR CG2 C 22.424 0.30 1 672 75 75 THR N N 116.408 0.30 1 673 76 76 LEU H H 7.979 0.05 1 674 76 76 LEU HA H 4.407 0.05 1 675 76 76 LEU HB2 H 1.484 0.05 2 676 76 76 LEU HB3 H 1.484 0.05 2 677 76 76 LEU HG H 1.484 0.05 1 678 76 76 LEU C C 178.630 0.30 1 679 76 76 LEU CA C 58.551 0.30 1 680 76 76 LEU CB C 42.563 0.30 1 681 76 76 LEU CG C 20.126 0.30 1 682 76 76 LEU CD1 C 20.126 0.30 1 683 76 76 LEU CD2 C 20.126 0.30 1 684 76 76 LEU N N 122.246 0.30 1 685 77 77 GLN H H 8.504 0.05 1 686 77 77 GLN HA H 4.182 0.05 1 687 77 77 GLN HB2 H 2.930 0.05 2 688 77 77 GLN HB3 H 2.930 0.05 2 689 77 77 GLN C C 178.568 0.30 1 690 77 77 GLN CA C 59.535 0.30 1 691 77 77 GLN CB C 29.196 0.30 1 692 77 77 GLN CG C 34.311 0.30 1 693 77 77 GLN N N 117.235 0.30 1 694 78 78 ARG H H 8.239 0.05 1 695 78 78 ARG HA H 4.778 0.05 1 696 78 78 ARG HB2 H 2.011 0.05 2 697 78 78 ARG HB3 H 1.838 0.05 2 698 78 78 ARG HG2 H 1.597 0.05 2 699 78 78 ARG HG3 H 1.597 0.05 2 700 78 78 ARG HD2 H 3.130 0.05 2 701 78 78 ARG HD3 H 3.308 0.05 2 702 78 78 ARG C C 178.426 0.30 1 703 78 78 ARG CA C 59.890 0.30 1 704 78 78 ARG CB C 30.125 0.30 1 705 78 78 ARG CG C 27.818 0.30 1 706 78 78 ARG CD C 39.805 0.30 1 707 78 78 ARG N N 119.996 0.30 1 708 79 79 GLU H H 8.455 0.05 1 709 79 79 GLU HA H 4.274 0.05 1 710 79 79 GLU HB2 H 2.884 0.05 2 711 79 79 GLU HB3 H 2.884 0.05 2 712 79 79 GLU C C 179.617 0.30 1 713 79 79 GLU CA C 59.944 0.30 1 714 79 79 GLU CB C 29.635 0.30 1 715 79 79 GLU CG C 35.110 0.30 1 716 79 79 GLU N N 119.517 0.30 1 717 80 80 ILE H H 8.468 0.05 1 718 80 80 ILE HA H 4.437 0.05 1 719 80 80 ILE HB H 2.496 0.05 1 720 80 80 ILE HG12 H 2.188 0.05 1 721 80 80 ILE HG13 H 2.188 0.05 1 722 80 80 ILE HG2 H 0.876 0.05 1 723 80 80 ILE HD1 H 1.741 0.05 1 724 80 80 ILE C C 177.963 0.30 1 725 80 80 ILE CA C 65.417 0.30 1 726 80 80 ILE CB C 38.765 0.30 1 727 80 80 ILE CG1 C 34.636 0.30 1 728 80 80 ILE CG2 C 20.275 0.30 1 729 80 80 ILE CD1 C 20.275 0.30 1 730 80 80 ILE N N 120.745 0.30 1 731 81 81 ARG H H 8.234 0.05 1 732 81 81 ARG HA H 4.359 0.05 1 733 81 81 ARG HB2 H 1.613 0.05 2 734 81 81 ARG HB3 H 1.897 0.05 2 735 81 81 ARG HG2 H 1.263 0.05 2 736 81 81 ARG HG3 H 1.263 0.05 2 737 81 81 ARG C C 179.153 0.30 1 738 81 81 ARG CA C 59.435 0.30 1 739 81 81 ARG CB C 30.060 0.30 1 740 81 81 ARG CG C 19.664 0.30 1 741 81 81 ARG CD C 44.210 0.30 1 742 81 81 ARG N N 120.340 0.30 1 743 82 82 MET H H 8.558 0.05 1 744 82 82 MET HA H 4.452 0.05 1 745 82 82 MET HB2 H 2.031 0.05 2 746 82 82 MET HB3 H 2.031 0.05 2 747 82 82 MET C C 178.369 0.30 1 748 82 82 MET CA C 58.978 0.30 1 749 82 82 MET CB C 33.411 0.30 1 750 82 82 MET CG C 29.849 0.30 1 751 82 82 MET CE C 25.470 0.30 1 752 82 82 MET N N 118.202 0.30 1 753 83 83 ALA H H 8.251 0.05 1 754 83 83 ALA HA H 4.337 0.05 1 755 83 83 ALA HB H 1.441 0.05 1 756 83 83 ALA C C 179.809 0.30 1 757 83 83 ALA CA C 55.499 0.30 1 758 83 83 ALA CB C 18.985 0.30 1 759 83 83 ALA N N 122.476 0.30 1 760 84 84 GLN H H 8.485 0.05 1 761 84 84 GLN HA H 4.045 0.05 1 762 84 84 GLN HB2 H 2.713 0.05 2 763 84 84 GLN HB3 H 2.713 0.05 2 764 84 84 GLN HG2 H 3.010 0.05 2 765 84 84 GLN HG3 H 3.010 0.05 2 766 84 84 GLN C C 177.850 0.30 1 767 84 84 GLN CA C 58.980 0.30 1 768 84 84 GLN CB C 29.221 0.30 1 769 84 84 GLN N N 118.177 0.30 1 770 85 85 GLU H H 8.398 0.05 1 771 85 85 GLU HA H 4.483 0.05 1 772 85 85 GLU HB2 H 2.206 0.05 2 773 85 85 GLU HB3 H 2.206 0.05 2 774 85 85 GLU HG2 H 2.574 0.05 2 775 85 85 GLU HG3 H 2.574 0.05 2 776 85 85 GLU C C 178.541 0.30 1 777 85 85 GLU CA C 59.403 0.30 1 778 85 85 GLU CB C 30.086 0.30 1 779 85 85 GLU N N 119.583 0.30 1 780 86 86 ARG H H 8.186 0.05 1 781 86 86 ARG HA H 4.532 0.05 1 782 86 86 ARG HB2 H 2.251 0.05 2 783 86 86 ARG HB3 H 2.251 0.05 2 784 86 86 ARG HG2 H 2.561 0.05 2 785 86 86 ARG HG3 H 2.561 0.05 2 786 86 86 ARG C C 178.425 0.30 1 787 86 86 ARG CA C 59.133 0.30 1 788 86 86 ARG CB C 30.588 0.30 1 789 86 86 ARG CG C 25.775 0.30 1 790 86 86 ARG CD C 43.395 0.30 1 791 86 86 ARG N N 118.539 0.30 1 792 87 87 LEU H H 8.246 0.05 1 793 87 87 LEU HA H 4.509 0.05 1 794 87 87 LEU HB2 H 1.944 0.05 2 795 87 87 LEU HB3 H 1.944 0.05 2 796 87 87 LEU HG H 1.635 0.05 1 797 87 87 LEU C C 178.000 0.30 1 798 87 87 LEU CA C 58.027 0.30 1 799 87 87 LEU CB C 42.226 0.30 1 800 87 87 LEU N N 121.806 0.30 1 801 88 88 ASP H H 8.639 0.05 1 802 88 88 ASP HA H 4.656 0.05 1 803 88 88 ASP C C 176.634 0.30 1 804 88 88 ASP CA C 57.588 0.30 1 805 88 88 ASP CB C 41.147 0.30 1 806 88 88 ASP N N 119.421 0.30 1 807 89 89 LEU H H 8.150 0.05 1 808 89 89 LEU HA H 4.320 0.05 1 809 89 89 LEU HB2 H 2.097 0.05 2 810 89 89 LEU HB3 H 2.097 0.05 2 811 89 89 LEU C C 178.970 0.30 1 812 89 89 LEU CA C 57.852 0.30 1 813 89 89 LEU CB C 42.596 0.30 1 814 89 89 LEU CG C 33.618 0.30 1 815 89 89 LEU CD1 C 29.849 0.30 1 816 89 89 LEU CD2 C 25.775 0.30 1 817 89 89 LEU N N 119.865 0.30 1 818 90 90 ALA H H 8.207 0.05 1 819 90 90 ALA HA H 4.449 0.05 1 820 90 90 ALA HB H 1.761 0.05 1 821 90 90 ALA C C 179.832 0.30 1 822 90 90 ALA CA C 55.203 0.30 1 823 90 90 ALA CB C 19.038 0.30 1 824 90 90 ALA N N 122.791 0.30 1 825 91 91 ILE H H 8.490 0.05 1 826 91 91 ILE HA H 4.702 0.05 1 827 91 91 ILE C C 178.072 0.30 1 828 91 91 ILE CA C 64.739 0.30 1 829 91 91 ILE CB C 38.767 0.30 1 830 91 91 ILE CG1 C 29.951 0.30 1 831 91 91 ILE CG2 C 25.470 0.30 1 832 91 91 ILE CD1 C 20.275 0.30 1 833 91 91 ILE N N 118.534 0.30 1 834 92 92 GLN H H 8.280 0.05 1 835 92 92 GLN HA H 4.460 0.05 1 836 92 92 GLN HB2 H 2.105 0.05 2 837 92 92 GLN HB3 H 1.576 0.05 2 838 92 92 GLN HG2 H 2.427 0.05 2 839 92 92 GLN HG3 H 2.427 0.05 2 840 92 92 GLN HE21 H 6.981 0.05 2 841 92 92 GLN C C 177.997 0.30 1 842 92 92 GLN CA C 58.934 0.30 1 843 92 92 GLN CB C 33.605 0.30 1 844 92 92 GLN CG C 33.923 0.30 1 845 92 92 GLN N N 119.904 0.30 1 846 93 93 ALA H H 8.279 0.05 1 847 93 93 ALA HA H 4.660 0.05 1 848 93 93 ALA HB H 1.948 0.05 1 849 93 93 ALA C C 179.192 0.30 1 850 93 93 ALA CA C 54.780 0.30 1 851 93 93 ALA CB C 19.042 0.30 1 852 93 93 ALA N N 121.823 0.30 1 853 94 94 TYR H H 8.197 0.05 1 854 94 94 TYR HA H 4.504 0.05 1 855 94 94 TYR HB2 H 2.831 0.05 2 856 94 94 TYR HB3 H 2.049 0.05 2 857 94 94 TYR C C 177.079 0.30 1 858 94 94 TYR CA C 60.451 0.30 1 859 94 94 TYR CB C 38.990 0.30 1 860 94 94 TYR N N 118.235 0.30 1 861 95 95 HIS H H 8.262 0.05 1 862 95 95 HIS HA H 4.053 0.05 1 863 95 95 HIS C C 175.831 0.30 1 864 95 95 HIS CA C 70.294 0.30 1 865 95 95 HIS CB C 57.545 0.30 1 866 95 95 HIS N N 117.659 0.30 1 867 96 96 HIS H H 8.270 0.05 1 868 96 96 HIS HA H 8.210 0.05 1 869 96 96 HIS HB2 H 3.369 0.05 2 870 96 96 HIS HB3 H 3.122 0.05 2 871 96 96 HIS C C 175.831 0.30 1 872 96 96 HIS CA C 57.085 0.30 1 873 96 96 HIS CB C 30.103 0.30 1 874 96 96 HIS N N 119.000 0.30 1 875 97 97 GLN H H 8.323 0.05 1 876 97 97 GLN HA H 4.877 0.05 1 877 97 97 GLN HB2 H 2.773 0.05 2 878 97 97 GLN HB3 H 2.773 0.05 2 879 97 97 GLN HG2 H 2.943 0.05 2 880 97 97 GLN HG3 H 2.943 0.05 2 881 97 97 GLN C C 175.697 0.30 1 882 97 97 GLN CA C 53.807 0.30 1 883 97 97 GLN CB C 39.758 0.30 1 884 97 97 GLN CG C 30.053 0.30 1 885 97 97 GLN N N 118.135 0.30 1 886 98 98 ASN H H 8.212 0.05 1 887 98 98 ASN HA H 4.502 0.05 1 888 98 98 ASN HB2 H 2.782 0.05 2 889 98 98 ASN HB3 H 2.209 0.05 2 890 98 98 ASN C C 173.755 0.30 1 891 98 98 ASN CA C 53.277 0.30 1 892 98 98 ASN CB C 39.755 0.30 1 893 98 98 ASN N N 118.955 0.30 1 894 99 99 ASN H H 8.045 0.05 1 895 99 99 ASN HA H 4.395 0.05 1 896 99 99 ASN HB2 H 3.063 0.05 2 897 99 99 ASN HB3 H 3.063 0.05 2 898 99 99 ASN CA C 57.181 0.30 1 899 99 99 ASN CB C 30.219 0.30 1 900 99 99 ASN N N 121.758 0.30 1 901 100 100 PRO C C 176.741 0.30 1 902 100 100 PRO CA C 64.309 0.30 1 903 100 100 PRO CB C 32.527 0.30 1 904 100 100 PRO CG C 27.914 0.30 1 905 100 100 PRO CD C 51.543 0.30 1 906 101 101 HIS H H 8.386 0.05 1 907 101 101 HIS HA H 4.948 0.05 1 908 101 101 HIS HB2 H 3.348 0.05 2 909 101 101 HIS HB3 H 3.490 0.05 2 910 101 101 HIS C C 175.119 0.30 1 911 101 101 HIS CA C 56.046 0.30 1 912 101 101 HIS CB C 30.536 0.30 1 913 101 101 HIS N N 117.183 0.30 1 914 102 102 GLY H H 8.205 0.05 1 915 102 102 GLY HA2 H 4.313 0.05 2 916 102 102 GLY HA3 H 4.313 0.05 2 917 102 102 GLY C C 172.046 0.30 1 918 102 102 GLY CA C 45.515 0.30 1 919 102 102 GLY N N 108.852 0.30 1 920 103 103 PRO C C 177.379 0.30 1 921 103 103 PRO CA C 64.189 0.30 1 922 103 103 PRO CB C 32.618 0.30 1 923 103 103 PRO CG C 28.220 0.30 1 924 103 103 PRO CD C 51.136 0.30 1 925 104 104 ARG H H 8.479 0.05 1 926 104 104 ARG HA H 4.498 0.05 1 927 104 104 ARG HB2 H 2.005 0.05 2 928 104 104 ARG HB3 H 2.005 0.05 2 929 104 104 ARG HG2 H 1.861 0.05 2 930 104 104 ARG HG3 H 1.861 0.05 2 931 104 104 ARG HD2 H 3.379 0.05 2 932 104 104 ARG HD3 H 3.379 0.05 2 933 104 104 ARG C C 176.515 0.30 1 934 104 104 ARG CA C 57.050 0.30 1 935 104 104 ARG CB C 31.297 0.30 1 936 104 104 ARG CG C 28.118 0.30 1 937 104 104 ARG CD C 44.617 0.30 1 938 104 104 ARG N N 119.479 0.30 1 939 105 105 GLU H H 8.376 0.05 1 940 105 105 GLU HA H 4.465 0.05 1 941 105 105 GLU HB2 H 2.196 0.05 2 942 105 105 GLU HB3 H 2.196 0.05 2 943 105 105 GLU HG2 H 2.437 0.05 2 944 105 105 GLU HG3 H 2.437 0.05 2 945 105 105 GLU C C 176.510 0.30 1 946 105 105 GLU CA C 57.158 0.30 1 947 105 105 GLU CB C 31.095 0.30 1 948 105 105 GLU CG C 36.775 0.30 1 949 105 105 GLU N N 120.737 0.30 1 950 106 106 LYS H H 8.372 0.05 1 951 106 106 LYS HA H 4.491 0.05 1 952 106 106 LYS HB2 H 1.964 0.05 2 953 106 106 LYS HB3 H 1.964 0.05 2 954 106 106 LYS HG2 H 1.646 0.05 2 955 106 106 LYS HG3 H 1.646 0.05 2 956 106 106 LYS HD2 H 1.964 0.05 2 957 106 106 LYS HD3 H 1.964 0.05 2 958 106 106 LYS HE2 H 3.185 0.05 2 959 106 106 LYS HE3 H 3.185 0.05 2 960 106 106 LYS C C 176.511 0.30 1 961 106 106 LYS CA C 57.020 0.30 1 962 106 106 LYS CB C 33.507 0.30 1 963 106 106 LYS CG C 25.368 0.30 1 964 106 106 LYS CD C 29.646 0.30 1 965 106 106 LYS CE C 42.886 0.30 1 966 106 106 LYS N N 122.021 0.30 1 967 107 107 LYS H H 8.268 0.05 1 968 107 107 LYS HA H 4.508 0.05 1 969 107 107 LYS HB2 H 1.947 0.05 2 970 107 107 LYS HB3 H 1.947 0.05 2 971 107 107 LYS HG2 H 1.629 0.05 2 972 107 107 LYS HG3 H 1.629 0.05 2 973 107 107 LYS HD2 H 1.947 0.05 2 974 107 107 LYS HD3 H 1.947 0.05 2 975 107 107 LYS HE2 H 3.185 0.05 2 976 107 107 LYS HE3 H 3.185 0.05 2 977 107 107 LYS C C 176.219 0.30 1 978 107 107 LYS CA C 56.756 0.30 1 979 107 107 LYS CB C 33.805 0.30 1 980 107 107 LYS CG C 25.062 0.30 1 981 107 107 LYS CD C 29.849 0.30 1 982 107 107 LYS CE C 43.090 0.30 1 983 107 107 LYS N N 121.469 0.30 1 984 108 108 ALA H H 8.266 0.05 1 985 108 108 ALA HA H 4.508 0.05 1 986 108 108 ALA HB H 1.586 0.05 1 987 108 108 ALA C C 177.452 0.30 1 988 108 108 ALA CA C 52.884 0.30 1 989 108 108 ALA CB C 20.058 0.30 1 990 108 108 ALA N N 124.284 0.30 1 991 109 109 LYS H H 8.303 0.05 1 992 109 109 LYS HA H 4.611 0.05 1 993 109 109 LYS HB2 H 2.004 0.05 2 994 109 109 LYS HB3 H 2.004 0.05 2 995 109 109 LYS HG2 H 1.616 0.05 2 996 109 109 LYS HG3 H 1.616 0.05 2 997 109 109 LYS HD2 H 2.004 0.05 2 998 109 109 LYS HD3 H 2.004 0.05 2 999 109 109 LYS HE2 H 3.188 0.05 2 1000 109 109 LYS HE3 H 3.188 0.05 2 1001 109 109 LYS HZ H 7.219 0.05 1 1002 109 109 LYS C C 176.620 0.30 1 1003 109 109 LYS CA C 57.009 0.30 1 1004 109 109 LYS CB C 33.775 0.30 1 1005 109 109 LYS CG C 25.572 0.30 1 1006 109 109 LYS CD C 29.951 0.30 1 1007 109 109 LYS CE C 42.988 0.30 1 1008 109 109 LYS N N 120.222 0.30 1 1009 110 110 VAL H H 8.134 0.05 1 1010 110 110 VAL HA H 4.357 0.05 1 1011 110 110 VAL HB H 2.301 0.05 1 1012 110 110 VAL HG1 H 1.165 0.05 2 1013 110 110 VAL HG2 H 1.165 0.05 2 1014 110 110 VAL C C 176.487 0.30 1 1015 110 110 VAL CA C 62.864 0.30 1 1016 110 110 VAL CB C 33.515 0.30 1 1017 110 110 VAL CG1 C 21.498 0.30 1 1018 110 110 VAL CG2 C 21.498 0.30 1 1019 110 110 VAL N N 120.196 0.30 1 1020 111 111 GLY H H 8.516 0.05 1 1021 111 111 GLY HA2 H 4.200 0.05 2 1022 111 111 GLY HA3 H 4.200 0.05 2 1023 111 111 GLY C C 174.156 0.30 1 1024 111 111 GLY CA C 45.988 0.30 1 1025 111 111 GLY N N 111.807 0.30 1 1026 112 112 SER H H 8.254 0.05 1 1027 112 112 SER HA H 4.662 0.05 1 1028 112 112 SER HB2 H 4.076 0.05 2 1029 112 112 SER HB3 H 4.076 0.05 2 1030 112 112 SER C C 174.471 0.30 1 1031 112 112 SER CA C 58.986 0.30 1 1032 112 112 SER CB C 64.738 0.30 1 1033 112 112 SER N N 115.172 0.30 1 1034 113 113 LYS H H 8.517 0.05 1 1035 113 113 LYS HA H 4.466 0.05 1 1036 113 113 LYS HB2 H 2.183 0.05 2 1037 113 113 LYS HB3 H 2.183 0.05 2 1038 113 113 LYS HG2 H 2.183 0.05 2 1039 113 113 LYS HG3 H 2.183 0.05 2 1040 113 113 LYS HD2 H 2.533 0.05 2 1041 113 113 LYS HD3 H 2.533 0.05 2 1042 113 113 LYS HE2 H 3.005 0.05 2 1043 113 113 LYS HE3 H 3.005 0.05 2 1044 113 113 LYS C C 176.624 0.30 1 1045 113 113 LYS CA C 56.789 0.30 1 1046 113 113 LYS CB C 33.613 0.30 1 1047 113 113 LYS CG C 25.572 0.30 1 1048 113 113 LYS CD C 29.849 0.30 1 1049 113 113 LYS CE C 43.192 0.30 1 1050 113 113 LYS N N 122.747 0.30 1 1051 114 114 SER H H 8.361 0.05 1 1052 114 114 SER HA H 4.665 0.05 1 1053 114 114 SER HB2 H 4.089 0.05 2 1054 114 114 SER HB3 H 4.089 0.05 2 1055 114 114 SER C C 175.102 0.30 1 1056 114 114 SER CA C 59.030 0.30 1 1057 114 114 SER CB C 64.427 0.30 1 1058 114 114 SER N N 115.857 0.30 1 1059 115 115 GLY H H 8.496 0.05 1 1060 115 115 GLY HA2 H 4.207 0.05 2 1061 115 115 GLY HA3 H 4.207 0.05 2 1062 115 115 GLY C C 174.266 0.30 1 1063 115 115 GLY CA C 46.016 0.30 1 1064 115 115 GLY N N 110.394 0.30 1 1065 116 116 SER H H 8.287 0.05 1 1066 116 116 SER HA H 4.663 0.05 1 1067 116 116 SER HB2 H 4.070 0.05 2 1068 116 116 SER HB3 H 4.070 0.05 2 1069 116 116 SER C C 174.498 0.30 1 1070 116 116 SER CA C 58.962 0.30 1 1071 116 116 SER CB C 64.640 0.30 1 1072 116 116 SER N N 115.008 0.30 1 1073 117 117 ASN H H 8.538 0.05 1 1074 117 117 ASN HA H 4.933 0.05 1 1075 117 117 ASN HB2 H 3.038 0.05 2 1076 117 117 ASN HB3 H 3.038 0.05 2 1077 117 117 ASN C C 175.335 0.30 1 1078 117 117 ASN CA C 53.979 0.30 1 1079 117 117 ASN CB C 39.341 0.30 1 1080 117 117 ASN N N 120.462 0.30 1 1081 118 118 LYS H H 8.345 0.05 1 1082 118 118 LYS HA H 4.532 0.05 1 1083 118 118 LYS HB2 H 2.075 0.05 2 1084 118 118 LYS HB3 H 2.075 0.05 2 1085 118 118 LYS HG2 H 1.648 0.05 2 1086 118 118 LYS HG3 H 1.648 0.05 2 1087 118 118 LYS HD2 H 1.918 0.05 2 1088 118 118 LYS HD3 H 1.918 0.05 2 1089 118 118 LYS HE2 H 3.225 0.05 2 1090 118 118 LYS HE3 H 3.225 0.05 2 1091 118 118 LYS C C 176.653 0.30 1 1092 118 118 LYS CA C 57.101 0.30 1 1093 118 118 LYS CB C 33.513 0.30 1 1094 118 118 LYS CG C 25.062 0.30 1 1095 118 118 LYS CD C 29.646 0.30 1 1096 118 118 LYS CE C 43.293 0.30 1 1097 118 118 LYS N N 121.001 0.30 1 1098 119 119 SER H H 8.366 0.05 1 1099 119 119 SER HA H 4.658 0.05 1 1100 119 119 SER HB2 H 4.085 0.05 2 1101 119 119 SER HB3 H 4.085 0.05 2 1102 119 119 SER C C 174.722 0.30 1 1103 119 119 SER CA C 57.071 0.30 1 1104 119 119 SER CB C 64.453 0.30 1 1105 119 119 SER N N 116.047 0.30 1 1106 120 120 SER H H 8.336 0.05 1 1107 120 120 SER HA H 4.647 0.05 1 1108 120 120 SER HB2 H 4.089 0.05 2 1109 120 120 SER HB3 H 4.089 0.05 2 1110 120 120 SER C C 174.711 0.30 1 1111 120 120 SER CA C 59.016 0.30 1 1112 120 120 SER CB C 64.391 0.30 1 1113 120 120 SER N N 117.455 0.30 1 1114 121 121 ILE H H 8.154 0.05 1 1115 121 121 ILE HA H 4.436 0.05 1 1116 121 121 ILE HB H 2.092 0.05 1 1117 121 121 ILE HG12 H 1.395 0.05 1 1118 121 121 ILE HG13 H 1.683 0.05 1 1119 121 121 ILE HG2 H 1.151 0.05 1 1120 121 121 ILE HD1 H 0.933 0.05 1 1121 121 121 ILE C C 176.275 0.30 1 1122 121 121 ILE CA C 61.964 0.30 1 1123 121 121 ILE CB C 39.353 0.30 1 1124 121 121 ILE CG1 C 27.812 0.30 1 1125 121 121 ILE CG2 C 18.137 0.30 1 1126 121 121 ILE CD1 C 13.451 0.30 1 1127 121 121 ILE N N 120.874 0.30 1 1128 122 122 SER H H 8.307 0.05 1 1129 122 122 SER HA H 4.647 0.05 1 1130 122 122 SER HB2 H 4.089 0.05 2 1131 122 122 SER HB3 H 4.089 0.05 2 1132 122 122 SER C C 174.717 0.30 1 1133 122 122 SER CA C 58.968 0.30 1 1134 122 122 SER CB C 64.598 0.30 1 1135 122 122 SER N N 118.145 0.30 1 1136 123 123 SER H H 8.357 0.05 1 1137 123 123 SER HA H 4.659 0.05 1 1138 123 123 SER HB2 H 4.088 0.05 2 1139 123 123 SER HB3 H 4.088 0.05 2 1140 123 123 SER C C 174.665 0.30 1 1141 123 123 SER CA C 59.012 0.30 1 1142 123 123 SER CB C 64.387 0.30 1 1143 123 123 SER N N 117.268 0.30 1 1144 124 124 LYS H H 8.384 0.05 1 1145 124 124 LYS HA H 4.608 0.05 1 1146 124 124 LYS HB2 H 2.081 0.05 2 1147 124 124 LYS HB3 H 2.499 0.05 2 1148 124 124 LYS HG2 H 1.611 0.05 2 1149 124 124 LYS HG3 H 1.611 0.05 2 1150 124 124 LYS HD2 H 1.936 0.05 2 1151 124 124 LYS HD3 H 1.936 0.05 2 1152 124 124 LYS HE2 H 3.156 0.05 2 1153 124 124 LYS HE3 H 3.156 0.05 2 1154 124 124 LYS C C 176.633 0.30 1 1155 124 124 LYS CA C 57.084 0.30 1 1156 124 124 LYS CB C 33.584 0.30 1 1157 124 124 LYS CG C 25.062 0.30 1 1158 124 124 LYS CD C 29.951 0.30 1 1159 124 124 LYS CE C 43.395 0.30 1 1160 124 124 LYS N N 122.404 0.30 1 1161 125 125 SER H H 8.330 0.05 1 1162 125 125 SER HA H 4.661 0.05 1 1163 125 125 SER HB2 H 4.084 0.05 2 1164 125 125 SER HB3 H 4.084 0.05 2 1165 125 125 SER C C 175.128 0.30 1 1166 125 125 SER CA C 59.024 0.30 1 1167 125 125 SER CB C 65.461 0.30 1 1168 125 125 SER N N 115.734 0.30 1 1169 126 126 GLY H H 8.454 0.05 1 1170 126 126 GLY HA2 H 4.207 0.05 2 1171 126 126 GLY HA3 H 4.207 0.05 2 1172 126 126 GLY C C 174.036 0.30 1 1173 126 126 GLY CA C 46.036 0.30 1 1174 126 126 GLY N N 110.446 0.30 1 1175 127 127 ASP H H 8.301 0.05 1 1176 127 127 ASP HA H 4.845 0.05 1 1177 127 127 ASP HB2 H 2.197 0.05 2 1178 127 127 ASP HB3 H 2.563 0.05 2 1179 127 127 ASP C C 177.066 0.30 1 1180 127 127 ASP CA C 54.686 0.30 1 1181 127 127 ASP CB C 41.956 0.30 1 1182 127 127 ASP N N 119.727 0.30 1 1183 128 128 GLY H H 8.533 0.05 1 1184 128 128 GLY HA2 H 4.142 0.05 2 1185 128 128 GLY HA3 H 4.142 0.05 2 1186 128 128 GLY C C 174.524 0.30 1 1187 128 128 GLY CA C 46.457 0.30 1 1188 128 128 GLY N N 108.788 0.30 1 1189 129 129 LYS H H 8.312 0.05 1 1190 129 129 LYS HA H 4.600 0.05 1 1191 129 129 LYS HB2 H 2.557 0.05 2 1192 129 129 LYS HB3 H 2.056 0.05 2 1193 129 129 LYS HG2 H 1.607 0.05 2 1194 129 129 LYS HG3 H 1.607 0.05 2 1195 129 129 LYS HD2 H 1.870 0.05 2 1196 129 129 LYS HD3 H 1.870 0.05 2 1197 129 129 LYS HE2 H 3.183 0.05 2 1198 129 129 LYS HE3 H 3.362 0.05 2 1199 129 129 LYS HZ H 7.601 0.05 1 1200 129 129 LYS C C 176.847 0.30 1 1201 129 129 LYS CA C 57.038 0.30 1 1202 129 129 LYS CB C 33.776 0.30 1 1203 129 129 LYS CG C 25.368 0.30 1 1204 129 129 LYS CD C 29.951 0.30 1 1205 129 129 LYS CE C 43.192 0.30 1 1206 129 129 LYS N N 120.069 0.30 1 1207 130 130 THR H H 8.334 0.05 1 1208 130 130 THR HA H 4.577 0.05 1 1209 130 130 THR HB H 4.394 0.05 1 1210 130 130 THR HG2 H 1.399 0.05 1 1211 130 130 THR C C 174.492 0.30 1 1212 130 130 THR CA C 62.397 0.30 1 1213 130 130 THR CB C 70.302 0.30 1 1214 130 130 THR CG2 C 22.414 0.30 1 1215 130 130 THR N N 113.993 0.30 1 1216 131 131 SER H H 8.284 0.05 1 1217 131 131 SER HA H 4.685 0.05 1 1218 131 131 SER HB2 H 3.974 0.05 2 1219 131 131 SER HB3 H 3.974 0.05 2 1220 131 131 SER C C 174.093 0.30 1 1221 131 131 SER CA C 58.556 0.30 1 1222 131 131 SER CB C 64.715 0.30 1 1223 131 131 SER N N 117.654 0.30 1 1224 132 132 VAL H H 7.976 0.05 1 1225 132 132 VAL HA H 4.313 0.05 1 1226 132 132 VAL HB H 2.158 0.05 1 1227 132 132 VAL HG1 H 0.968 0.05 2 1228 132 132 VAL HG2 H 0.968 0.05 2 1229 132 132 VAL C C 175.304 0.30 1 1230 132 132 VAL CA C 62.762 0.30 1 1231 132 132 VAL CB C 33.460 0.30 1 1232 132 132 VAL CG1 C 20.521 0.30 1 1233 132 132 VAL CG2 C 21.737 0.30 1 1234 132 132 VAL N N 119.261 0.30 1 1235 133 133 TRP H H 8.125 0.05 1 1236 133 133 TRP HA H 4.967 0.05 1 1237 133 133 TRP HB2 H 3.349 0.05 2 1238 133 133 TRP HB3 H 3.534 0.05 2 1239 133 133 TRP C C 174.820 0.30 1 1240 133 133 TRP CA C 57.517 0.30 1 1241 133 133 TRP CB C 30.548 0.30 1 1242 133 133 TRP N N 123.335 0.30 1 1243 134 134 ILE H H 7.542 0.05 1 1244 134 134 ILE HA H 4.294 0.05 1 1245 134 134 ILE HB H 1.979 0.05 1 1246 134 134 ILE HG12 H 1.282 0.05 1 1247 134 134 ILE HG13 H 1.599 0.05 1 1248 134 134 ILE HG2 H 1.282 0.05 1 1249 134 134 ILE HD1 H 1.055 0.05 1 1250 134 134 ILE C C 180.148 0.30 1 1251 134 134 ILE CA C 63.307 0.30 1 1252 134 134 ILE CB C 40.708 0.30 1 1253 134 134 ILE N N 124.997 0.30 1 stop_ save_