data_18577 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments of the Connexin45 Carboxyl Terminal Domain: Dimer Conformation ; _BMRB_accession_number 18577 _BMRB_flat_file_name bmr18577.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" 559 "13C chemical shifts" 406 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2012-10-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18578 'Connexin45 Carboxyl Terminal Domain, monomer' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_1 _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 . 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, chain 1' $Connexin45_Carboxyl_Terminal_Domain 'Connexin45 Carboxyl Terminal Domain, chain 2' $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 'Dimer 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 18578 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_dimer_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' H20 90 % 'natural abundance' D20 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 $dimer_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $dimer_sample save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $dimer_sample save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $dimer_sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $dimer_sample save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $dimer_sample save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $dimer_sample save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $dimer_sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $dimer_sample save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $dimer_sample save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $dimer_sample save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $dimer_sample save_ ####################### # Sample conditions # ####################### save_dimer_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 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 C 13 protons ppm 46.00 internal direct . . . 0.251449530 water H 1 protons ppm 4.778 internal direct . . . 1.000000000 water N 15 protons ppm 120.00 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_Cx4CTsequence _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 $dimer_sample stop_ _Sample_conditions_label $dimer_sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Connexin45 Carboxyl Terminal Domain, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.820 0.05 2 2 1 1 GLY HA3 H 3.820 0.05 2 3 1 1 GLY CA C 43.786 0.3 1 4 2 2 SER HA H 4.150 0.05 1 5 2 2 SER HB2 H 3.980 0.05 2 6 2 2 SER HB3 H 3.980 0.05 2 7 2 2 SER C C 174.410 0.3 1 8 2 2 SER CA C 55.700 0.3 1 9 2 2 SER CB C 61.600 0.3 1 10 3 3 LYS H H 8.483 0.05 1 11 3 3 LYS HA H 4.326 0.05 1 12 3 3 LYS HB2 H 1.792 0.05 2 13 3 3 LYS HB3 H 1.792 0.05 2 14 3 3 LYS HG2 H 1.463 0.05 2 15 3 3 LYS HG3 H 1.463 0.05 2 16 3 3 LYS HD2 H 1.703 0.05 2 17 3 3 LYS HD3 H 1.703 0.05 2 18 3 3 LYS HE2 H 3.000 0.05 2 19 3 3 LYS HE3 H 3.000 0.05 2 20 3 3 LYS C C 176.450 0.3 1 21 3 3 LYS CA C 54.600 0.3 1 22 3 3 LYS CB C 31.416 0.3 1 23 3 3 LYS CG C 22.800 0.3 1 24 3 3 LYS CD C 27.200 0.3 1 25 3 3 LYS CE C 40.500 0.3 1 26 3 3 LYS N N 125.272 0.3 1 27 4 4 ARG H H 8.399 0.05 1 28 4 4 ARG HA H 4.292 0.05 1 29 4 4 ARG HB2 H 1.826 0.05 2 30 4 4 ARG HB3 H 1.826 0.05 2 31 4 4 ARG HG2 H 1.644 0.05 2 32 4 4 ARG HG3 H 1.644 0.05 2 33 4 4 ARG HD2 H 3.199 0.05 2 34 4 4 ARG HD3 H 3.199 0.05 2 35 4 4 ARG C C 176.190 0.3 1 36 4 4 ARG CA C 54.594 0.3 1 37 4 4 ARG CB C 29.069 0.3 1 38 4 4 ARG CG C 25.410 0.3 1 39 4 4 ARG CD C 41.681 0.3 1 40 4 4 ARG N N 124.951 0.3 1 41 5 5 ARG H H 8.472 0.05 1 42 5 5 ARG HA H 4.303 0.05 1 43 5 5 ARG HB2 H 1.817 0.05 2 44 5 5 ARG HB3 H 1.817 0.05 2 45 5 5 ARG HG2 H 1.644 0.05 2 46 5 5 ARG HG3 H 1.644 0.05 2 47 5 5 ARG HD2 H 3.199 0.05 2 48 5 5 ARG HD3 H 3.199 0.05 2 49 5 5 ARG C C 176.350 0.3 1 50 5 5 ARG CA C 54.585 0.3 1 51 5 5 ARG CB C 28.878 0.3 1 52 5 5 ARG CG C 25.410 0.3 1 53 5 5 ARG CD C 41.681 0.3 1 54 5 5 ARG N N 124.958 0.3 1 55 6 6 GLU H H 8.637 0.05 1 56 6 6 GLU HA H 4.269 0.05 1 57 6 6 GLU HB2 H 1.986 0.05 2 58 6 6 GLU HB3 H 1.986 0.05 2 59 6 6 GLU HG2 H 2.201 0.05 2 60 6 6 GLU HG3 H 2.310 0.05 2 61 6 6 GLU C C 176.510 0.3 1 62 6 6 GLU CA C 55.078 0.3 1 63 6 6 GLU CB C 28.165 0.3 1 64 6 6 GLU CG C 34.350 0.3 1 65 6 6 GLU N N 123.974 0.3 1 66 7 7 LEU H H 8.175 0.05 1 67 7 7 LEU HA H 4.326 0.05 1 68 7 7 LEU HB2 H 1.611 0.05 2 69 7 7 LEU HB3 H 1.611 0.05 2 70 7 7 LEU HG H 1.600 0.05 1 71 7 7 LEU HD1 H 0.898 0.05 2 72 7 7 LEU HD2 H 0.898 0.05 2 73 7 7 LEU C C 176.970 0.3 1 74 7 7 LEU CA C 53.639 0.3 1 75 7 7 LEU CB C 40.602 0.3 1 76 7 7 LEU CG C 25.112 0.3 1 77 7 7 LEU CD1 C 23.324 0.3 1 78 7 7 LEU CD2 C 21.655 0.3 1 79 7 7 LEU N N 123.200 0.3 1 80 8 8 ASP H H 8.176 0.05 1 81 8 8 ASP HA H 4.633 0.05 1 82 8 8 ASP HB2 H 2.644 0.05 2 83 8 8 ASP HB3 H 2.644 0.05 2 84 8 8 ASP C C 175.460 0.3 1 85 8 8 ASP CA C 52.580 0.3 1 86 8 8 ASP CB C 39.343 0.3 1 87 8 8 ASP N N 121.848 0.3 1 88 9 9 ASP H H 8.056 0.05 1 89 9 9 ASP HA H 4.861 0.05 1 90 9 9 ASP HB2 H 2.588 0.05 2 91 9 9 ASP HB3 H 2.769 0.05 2 92 9 9 ASP C C 174.730 0.3 1 93 9 9 ASP CA C 50.244 0.3 1 94 9 9 ASP CB C 39.701 0.3 1 95 9 9 ASP N N 122.713 0.3 1 96 10 10 PRO HA H 4.339 0.05 1 97 10 10 PRO HB2 H 2.297 0.05 2 98 10 10 PRO HB3 H 2.297 0.05 2 99 10 10 PRO HG2 H 2.011 0.05 2 100 10 10 PRO HG3 H 2.011 0.05 2 101 10 10 PRO HD2 H 3.848 0.05 2 102 10 10 PRO HD3 H 3.848 0.05 2 103 10 10 PRO C C 177.780 0.3 1 104 10 10 PRO CA C 62.257 0.3 1 105 10 10 PRO CB C 30.176 0.3 1 106 10 10 PRO CG C 25.350 0.3 1 107 10 10 PRO CD C 49.011 0.3 1 108 11 11 GLY H H 8.478 0.05 1 109 11 11 GLY HA2 H 3.897 0.05 2 110 11 11 GLY HA3 H 3.897 0.05 2 111 11 11 GLY C C 174.160 0.3 1 112 11 11 GLY CA C 43.546 0.3 1 113 11 11 GLY N N 109.580 0.3 1 114 12 12 ALA H H 7.803 0.05 1 115 12 12 ALA HA H 4.235 0.05 1 116 12 12 ALA HB H 1.281 0.05 1 117 12 12 ALA C C 177.410 0.3 1 118 12 12 ALA CA C 50.808 0.3 1 119 12 12 ALA CB C 17.658 0.3 1 120 12 12 ALA N N 124.708 0.3 1 121 13 13 TYR H H 7.932 0.05 1 122 13 13 TYR HA H 4.462 0.05 1 123 13 13 TYR HB2 H 2.906 0.05 2 124 13 13 TYR HB3 H 2.906 0.05 2 125 13 13 TYR C C 175.250 0.3 1 126 13 13 TYR CA C 55.708 0.3 1 127 13 13 TYR CB C 36.856 0.3 1 128 13 13 TYR N N 120.015 0.3 1 129 14 14 ASN H H 8.041 0.05 1 130 14 14 ASN HA H 4.675 0.05 1 131 14 14 ASN HB2 H 2.600 0.05 2 132 14 14 ASN HB3 H 2.600 0.05 2 133 14 14 ASN C C 174.010 0.3 1 134 14 14 ASN CA C 51.065 0.3 1 135 14 14 ASN CB C 37.165 0.3 1 136 14 14 ASN N N 121.601 0.3 1 137 15 15 TYR H H 7.894 0.05 1 138 15 15 TYR HA H 4.667 0.05 1 139 15 15 TYR HB2 H 2.917 0.05 2 140 15 15 TYR HB3 H 3.110 0.05 2 141 15 15 TYR C C 174.120 0.3 1 142 15 15 TYR CA C 54.128 0.3 1 143 15 15 TYR CB C 36.368 0.3 1 144 15 15 TYR N N 123.204 0.3 1 145 16 16 PRO HA H 4.323 0.05 1 146 16 16 PRO HB2 H 2.092 0.05 2 147 16 16 PRO HB3 H 2.092 0.05 2 148 16 16 PRO HG2 H 1.898 0.05 2 149 16 16 PRO HG3 H 1.898 0.05 2 150 16 16 PRO HD2 H 3.675 0.05 2 151 16 16 PRO HD3 H 3.675 0.05 2 152 16 16 PRO C C 176.280 0.3 1 153 16 16 PRO CA C 61.340 0.3 1 154 16 16 PRO CB C 29.873 0.3 1 155 16 16 PRO CG C 25.350 0.3 1 156 16 16 PRO CD C 48.773 0.3 1 157 17 17 PHE H H 7.826 0.05 1 158 17 17 PHE HA H 4.576 0.05 1 159 17 17 PHE HB2 H 2.971 0.05 2 160 17 17 PHE HB3 H 2.971 0.05 2 161 17 17 PHE C C 175.780 0.3 1 162 17 17 PHE CA C 56.016 0.3 1 163 17 17 PHE CB C 37.618 0.3 1 164 17 17 PHE N N 121.289 0.3 1 165 18 18 THR H H 7.894 0.05 1 166 18 18 THR HA H 4.413 0.05 1 167 18 18 THR HB H 4.264 0.05 1 168 18 18 THR HG2 H 1.065 0.05 1 169 18 18 THR C C 174.000 0.3 1 170 18 18 THR CA C 59.846 0.3 1 171 18 18 THR CB C 68.104 0.3 1 172 18 18 THR CG2 C 20.030 0.3 1 173 18 18 THR N N 116.458 0.3 1 174 19 19 TRP H H 8.023 0.05 1 175 19 19 TRP HA H 4.700 0.05 1 176 19 19 TRP HB2 H 3.140 0.05 2 177 19 19 TRP HB3 H 3.280 0.05 2 178 19 19 TRP C C 175.720 0.3 1 179 19 19 TRP CA C 55.417 0.3 1 180 19 19 TRP CB C 27.945 0.3 1 181 19 19 TRP N N 124.450 0.3 1 182 20 20 ASN H H 8.196 0.05 1 183 20 20 ASN HA H 4.701 0.05 1 184 20 20 ASN HB2 H 2.611 0.05 2 185 20 20 ASN HB3 H 2.611 0.05 2 186 20 20 ASN C C 174.550 0.3 1 187 20 20 ASN CA C 51.219 0.3 1 188 20 20 ASN CB C 37.242 0.3 1 189 20 20 ASN N N 121.641 0.3 1 190 21 21 THR H H 7.908 0.05 1 191 21 21 THR HA H 4.542 0.05 1 192 21 21 THR HB H 4.156 0.05 1 193 21 21 THR HG2 H 1.304 0.05 1 194 21 21 THR C C 172.870 0.3 1 195 21 21 THR CA C 57.988 0.3 1 196 21 21 THR CB C 67.976 0.3 1 197 21 21 THR N N 117.754 0.3 1 198 22 22 PRO HA H 4.447 0.05 1 199 22 22 PRO HB2 H 1.989 0.05 2 200 22 22 PRO HB3 H 1.989 0.05 2 201 22 22 PRO HG2 H 2.314 0.05 2 202 22 22 PRO HG3 H 2.314 0.05 2 203 22 22 PRO HD2 H 3.740 0.05 2 204 22 22 PRO HD3 H 3.740 0.05 2 205 22 22 PRO C C 176.840 0.3 1 206 22 22 PRO CA C 61.800 0.3 1 207 22 22 PRO CB C 30.398 0.3 1 208 22 22 PRO CG C 25.589 0.3 1 209 22 22 PRO CD C 49.369 0.3 1 210 23 23 SER H H 8.235 0.05 1 211 23 23 SER HA H 4.417 0.05 1 212 23 23 SER HB2 H 3.872 0.05 2 213 23 23 SER HB3 H 3.872 0.05 2 214 23 23 SER C C 173.540 0.3 1 215 23 23 SER CA C 56.403 0.3 1 216 23 23 SER CB C 62.331 0.3 1 217 23 23 SER N N 117.156 0.3 1 218 24 24 ALA H H 8.142 0.05 1 219 24 24 ALA HA H 4.474 0.05 1 220 24 24 ALA HB H 1.247 0.05 1 221 24 24 ALA C C 174.700 0.3 1 222 24 24 ALA CA C 48.650 0.3 1 223 24 24 ALA CB C 16.576 0.3 1 224 24 24 ALA N N 128.200 0.3 1 225 25 25 PRO HA H 4.400 0.05 1 226 25 25 PRO HB2 H 2.265 0.05 2 227 25 25 PRO HB3 H 2.265 0.05 2 228 25 25 PRO HG2 H 1.900 0.05 2 229 25 25 PRO HG3 H 1.900 0.05 2 230 25 25 PRO HD2 H 3.390 0.05 2 231 25 25 PRO HD3 H 3.466 0.05 2 232 25 25 PRO CA C 61.690 0.3 1 233 25 25 PRO CB C 30.600 0.3 1 234 25 25 PRO CG C 25.780 0.3 1 235 25 25 PRO CD C 48.800 0.3 1 236 26 26 PRO HA H 4.400 0.05 1 237 26 26 PRO HB2 H 2.265 0.05 2 238 26 26 PRO HB3 H 2.265 0.05 2 239 26 26 PRO HG2 H 2.033 0.05 2 240 26 26 PRO HG3 H 2.033 0.05 2 241 26 26 PRO HD2 H 3.642 0.05 2 242 26 26 PRO HD3 H 3.642 0.05 2 243 26 26 PRO C C 176.422 0.3 1 244 26 26 PRO CA C 61.722 0.3 1 245 26 26 PRO CB C 30.078 0.3 1 246 26 26 PRO CG C 25.708 0.3 1 247 26 26 PRO CD C 48.773 0.3 1 248 27 27 GLY H H 8.404 0.05 1 249 27 27 GLY HA2 H 3.906 0.05 2 250 27 27 GLY HA3 H 3.906 0.05 2 251 27 27 GLY C C 173.940 0.3 1 252 27 27 GLY CA C 43.506 0.3 1 253 27 27 GLY N N 110.887 0.3 1 254 28 28 TYR H H 7.895 0.05 1 255 28 28 TYR HA H 4.508 0.05 1 256 28 28 TYR HB2 H 2.974 0.05 2 257 28 28 TYR HB3 H 2.974 0.05 2 258 28 28 TYR C C 175.290 0.3 1 259 28 28 TYR CA C 56.325 0.3 1 260 28 28 TYR CB C 37.236 0.3 1 261 28 28 TYR N N 121.553 0.3 1 262 29 29 ASN H H 8.327 0.05 1 263 29 29 ASN HA H 4.701 0.05 1 264 29 29 ASN HB2 H 2.747 0.05 2 265 29 29 ASN HB3 H 2.818 0.05 2 266 29 29 ASN C C 174.590 0.3 1 267 29 29 ASN CA C 51.250 0.3 1 268 29 29 ASN CB C 37.197 0.3 1 269 29 29 ASN N N 122.312 0.3 1 270 30 30 ILE H H 7.921 0.05 1 271 30 30 ILE HA H 4.175 0.05 1 272 30 30 ILE HB H 1.861 0.05 1 273 30 30 ILE HG12 H 1.190 0.05 1 274 30 30 ILE HG13 H 1.417 0.05 1 275 30 30 ILE HG2 H 0.898 0.05 1 276 30 30 ILE HD1 H 0.838 0.05 1 277 30 30 ILE C C 175.580 0.3 1 278 30 30 ILE CA C 59.383 0.3 1 279 30 30 ILE CB C 37.132 0.3 1 280 30 30 ILE CG1 C 25.350 0.3 1 281 30 30 ILE CG2 C 16.053 0.3 1 282 30 30 ILE CD1 C 11.523 0.3 1 283 30 30 ILE N N 122.351 0.3 1 284 31 31 ALA H H 8.261 0.05 1 285 31 31 ALA HA H 4.349 0.05 1 286 31 31 ALA HB H 1.372 0.05 1 287 31 31 ALA C C 177.300 0.3 1 288 31 31 ALA CA C 50.669 0.3 1 289 31 31 ALA CB C 17.538 0.3 1 290 31 31 ALA N N 129.202 0.3 1 291 32 32 VAL H H 7.978 0.05 1 292 32 32 VAL HA H 4.087 0.05 1 293 32 32 VAL HB H 2.008 0.05 1 294 32 32 VAL HG1 H 0.827 0.05 2 295 32 32 VAL HG2 H 0.997 0.05 2 296 32 32 VAL C C 175.760 0.3 1 297 32 32 VAL CA C 60.254 0.3 1 298 32 32 VAL CB C 31.227 0.3 1 299 32 32 VAL CG1 C 19.092 0.3 1 300 32 32 VAL CG2 C 19.092 0.3 1 301 32 32 VAL N N 121.296 0.3 1 302 33 33 LYS H H 8.350 0.05 1 303 33 33 LYS HA H 4.610 0.05 1 304 33 33 LYS HB2 H 1.770 0.05 2 305 33 33 LYS HB3 H 1.850 0.05 2 306 33 33 LYS HG2 H 1.430 0.05 2 307 33 33 LYS HG3 H 1.430 0.05 2 308 33 33 LYS HD2 H 1.700 0.05 2 309 33 33 LYS HD3 H 1.700 0.05 2 310 33 33 LYS HE2 H 3.000 0.05 2 311 33 33 LYS HE3 H 3.000 0.05 2 312 33 33 LYS C C 174.400 0.3 1 313 33 33 LYS CA C 52.263 0.3 1 314 33 33 LYS CB C 30.950 0.3 1 315 33 33 LYS CG C 23.141 0.3 1 316 33 33 LYS CD C 27.235 0.3 1 317 33 33 LYS CE C 40.462 0.3 1 318 33 33 LYS N N 128.020 0.3 1 319 34 34 PRO HA H 4.404 0.05 1 320 34 34 PRO HB2 H 2.314 0.05 2 321 34 34 PRO HB3 H 2.314 0.05 2 322 34 34 PRO HG2 H 2.016 0.05 2 323 34 34 PRO HG3 H 2.016 0.05 2 324 34 34 PRO HD2 H 3.690 0.05 2 325 34 34 PRO HD3 H 3.690 0.05 2 326 34 34 PRO C C 176.750 0.3 1 327 34 34 PRO CA C 61.808 0.3 1 328 34 34 PRO CB C 30.370 0.3 1 329 34 34 PRO CG C 25.708 0.3 1 330 34 34 PRO CD C 48.980 0.3 1 331 35 35 ASP H H 8.383 0.05 1 332 35 35 ASP HA H 4.531 0.05 1 333 35 35 ASP HB2 H 1.700 0.05 2 334 35 35 ASP HB3 H 1.820 0.05 2 335 35 35 ASP C C 176.190 0.3 1 336 35 35 ASP CA C 52.688 0.3 1 337 35 35 ASP CB C 39.004 0.3 1 338 35 35 ASP N N 120.464 0.3 1 339 36 36 GLN H H 8.142 0.05 1 340 36 36 GLN HA H 4.326 0.05 1 341 36 36 GLN HB2 H 2.050 0.05 2 342 36 36 GLN HB3 H 2.050 0.05 2 343 36 36 GLN HG2 H 2.314 0.05 2 344 36 36 GLN HG3 H 2.314 0.05 2 345 36 36 GLN C C 175.980 0.3 1 346 36 36 GLN CA C 54.091 0.3 1 347 36 36 GLN CB C 27.946 0.3 1 348 36 36 GLN CG C 32.025 0.3 1 349 36 36 GLN N N 121.149 0.3 1 350 37 37 ILE H H 8.047 0.05 1 351 37 37 ILE HA H 4.053 0.05 1 352 37 37 ILE HB H 1.815 0.05 1 353 37 37 ILE HG12 H 1.163 0.05 1 354 37 37 ILE HG13 H 1.449 0.05 1 355 37 37 ILE HG2 H 0.757 0.05 1 356 37 37 ILE HD1 H 0.890 0.05 1 357 37 37 ILE C C 175.980 0.3 1 358 37 37 ILE CA C 59.821 0.3 1 359 37 37 ILE CB C 36.788 0.3 1 360 37 37 ILE CG1 C 25.708 0.3 1 361 37 37 ILE CG2 C 15.695 0.3 1 362 37 37 ILE CD1 C 11.166 0.3 1 363 37 37 ILE N N 123.794 0.3 1 364 38 38 GLN H H 8.361 0.05 1 365 38 38 GLN HA H 4.315 0.05 1 366 38 38 GLN HB2 H 1.951 0.05 2 367 38 38 GLN HB3 H 1.951 0.05 2 368 38 38 GLN HG2 H 2.270 0.05 2 369 38 38 GLN HG3 H 2.270 0.05 2 370 38 38 GLN C C 175.590 0.3 1 371 38 38 GLN CA C 53.858 0.3 1 372 38 38 GLN CB C 27.672 0.3 1 373 38 38 GLN CG C 31.966 0.3 1 374 38 38 GLN N N 125.362 0.3 1 375 39 39 TYR H H 8.263 0.05 1 376 39 39 TYR HA H 4.610 0.05 1 377 39 39 TYR HB2 H 2.951 0.05 2 378 39 39 TYR HB3 H 3.156 0.05 2 379 39 39 TYR C C 176.070 0.3 1 380 39 39 TYR CA C 56.556 0.3 1 381 39 39 TYR CB C 37.092 0.3 1 382 39 39 TYR N N 123.542 0.3 1 383 40 40 THR H H 8.054 0.05 1 384 40 40 THR HA H 4.379 0.05 1 385 40 40 THR HB H 4.204 0.05 1 386 40 40 THR HG2 H 1.170 0.05 1 387 40 40 THR C C 174.290 0.3 1 388 40 40 THR CA C 60.362 0.3 1 389 40 40 THR CB C 68.097 0.3 1 390 40 40 THR CG2 C 20.030 0.3 1 391 40 40 THR N N 117.535 0.3 1 392 41 41 GLU H H 8.403 0.05 1 393 41 41 GLU HA H 4.303 0.05 1 394 41 41 GLU HB2 H 1.895 0.05 2 395 41 41 GLU HB3 H 1.895 0.05 2 396 41 41 GLU HG2 H 2.258 0.05 2 397 41 41 GLU HG3 H 2.258 0.05 2 398 41 41 GLU C C 176.690 0.3 1 399 41 41 GLU CA C 55.092 0.3 1 400 41 41 GLU CB C 28.260 0.3 1 401 41 41 GLU CG C 34.409 0.3 1 402 41 41 GLU N N 124.711 0.3 1 403 42 42 LEU H H 8.207 0.05 1 404 42 42 LEU HA H 4.349 0.05 1 405 42 42 LEU HB2 H 1.656 0.05 2 406 42 42 LEU HB3 H 1.656 0.05 2 407 42 42 LEU HG H 1.611 0.05 1 408 42 42 LEU HD1 H 0.893 0.05 2 409 42 42 LEU HD2 H 0.843 0.05 2 410 42 42 LEU C C 177.700 0.3 1 411 42 42 LEU CA C 53.707 0.3 1 412 42 42 LEU CB C 40.510 0.3 1 413 42 42 LEU CG C 25.231 0.3 1 414 42 42 LEU CD1 C 23.383 0.3 1 415 42 42 LEU CD2 C 21.655 0.3 1 416 42 42 LEU N N 124.408 0.3 1 417 43 43 SER H H 8.228 0.05 1 418 43 43 SER HA H 4.462 0.05 1 419 43 43 SER HB2 H 3.883 0.05 2 420 43 43 SER HB3 H 3.883 0.05 2 421 43 43 SER C C 174.400 0.3 1 422 43 43 SER CA C 56.542 0.3 1 423 43 43 SER CB C 62.273 0.3 1 424 43 43 SER N N 117.440 0.3 1 425 44 44 ASN H H 8.505 0.05 1 426 44 44 ASN HA H 4.780 0.05 1 427 44 44 ASN HB2 H 2.815 0.05 2 428 44 44 ASN HB3 H 2.815 0.05 2 429 44 44 ASN C C 175.270 0.3 1 430 44 44 ASN CA C 51.669 0.3 1 431 44 44 ASN CB C 36.858 0.3 1 432 44 44 ASN N N 122.584 0.3 1 433 45 45 ALA H H 8.106 0.05 1 434 45 45 ALA HA H 4.258 0.05 1 435 45 45 ALA HB H 1.383 0.05 1 436 45 45 ALA C C 177.880 0.3 1 437 45 45 ALA CA C 51.346 0.3 1 438 45 45 ALA CB C 17.509 0.3 1 439 45 45 ALA N N 125.267 0.3 1 440 46 46 LYS H H 8.142 0.05 1 441 46 46 LYS HA H 4.326 0.05 1 442 46 46 LYS HB2 H 1.851 0.05 2 443 46 46 LYS HB3 H 1.851 0.05 2 444 46 46 LYS HG2 H 1.450 0.05 2 445 46 46 LYS HG3 H 1.450 0.05 2 446 46 46 LYS HD2 H 1.700 0.05 2 447 46 46 LYS HD3 H 1.700 0.05 2 448 46 46 LYS HE2 H 2.980 0.05 2 449 46 46 LYS HE3 H 2.980 0.05 2 450 46 46 LYS C C 176.820 0.3 1 451 46 46 LYS CA C 55.010 0.3 1 452 46 46 LYS CB C 30.989 0.3 1 453 46 46 LYS CG C 23.085 0.3 1 454 46 46 LYS CD C 27.400 0.3 1 455 46 46 LYS CE C 40.429 0.3 1 456 46 46 LYS N N 121.149 0.3 1 457 47 47 ILE H H 7.901 0.05 1 458 47 47 ILE HA H 4.133 0.05 1 459 47 47 ILE HB H 1.815 0.05 1 460 47 47 ILE HG12 H 1.068 0.05 1 461 47 47 ILE HG13 H 1.137 0.05 1 462 47 47 ILE HG2 H 0.950 0.05 1 463 47 47 ILE HD1 H 0.883 0.05 1 464 47 47 ILE C C 175.890 0.3 1 465 47 47 ILE CA C 59.483 0.3 1 466 47 47 ILE CB C 36.893 0.3 1 467 47 47 ILE CG1 C 25.648 0.3 1 468 47 47 ILE CG2 C 15.755 0.3 1 469 47 47 ILE CD1 C 11.399 0.3 1 470 47 47 ILE N N 122.662 0.3 1 471 48 48 ALA H H 8.204 0.05 1 472 48 48 ALA HA H 4.303 0.05 1 473 48 48 ALA HB H 1.236 0.05 1 474 48 48 ALA C C 177.370 0.3 1 475 48 48 ALA CA C 50.753 0.3 1 476 48 48 ALA CB C 17.518 0.3 1 477 48 48 ALA N N 128.853 0.3 1 478 49 49 TYR H H 8.036 0.05 1 479 49 49 TYR HA H 4.519 0.05 1 480 49 49 TYR HB2 H 3.008 0.05 2 481 49 49 TYR HB3 H 3.008 0.05 2 482 49 49 TYR C C 175.850 0.3 1 483 49 49 TYR CA C 56.497 0.3 1 484 49 49 TYR CB C 37.010 0.3 1 485 49 49 TYR N N 121.353 0.3 1 486 50 50 LYS H H 8.097 0.05 1 487 50 50 LYS HA H 4.246 0.05 1 488 50 50 LYS HB2 H 1.747 0.05 2 489 50 50 LYS HB3 H 1.747 0.05 2 490 50 50 LYS HG2 H 1.395 0.05 2 491 50 50 LYS HG3 H 1.395 0.05 2 492 50 50 LYS HD2 H 1.680 0.05 2 493 50 50 LYS HD3 H 1.680 0.05 2 494 50 50 LYS HE2 H 3.110 0.05 2 495 50 50 LYS HE3 H 3.110 0.05 2 496 50 50 LYS C C 176.230 0.3 1 497 50 50 LYS CA C 54.599 0.3 1 498 50 50 LYS CB C 31.405 0.3 1 499 50 50 LYS CG C 23.026 0.3 1 500 50 50 LYS CD C 27.555 0.3 1 501 50 50 LYS CE C 40.429 0.3 1 502 50 50 LYS N N 124.377 0.3 1 503 51 51 GLN H H 8.275 0.05 1 504 51 51 GLN HA H 4.303 0.05 1 505 51 51 GLN HB2 H 1.997 0.05 2 506 51 51 GLN HB3 H 1.997 0.05 2 507 51 51 GLN HG2 H 2.235 0.05 2 508 51 51 GLN HG3 H 2.235 0.05 2 509 51 51 GLN C C 175.730 0.3 1 510 51 51 GLN CA C 54.205 0.3 1 511 51 51 GLN CB C 27.669 0.3 1 512 51 51 GLN CG C 32.085 0.3 1 513 51 51 GLN N N 122.734 0.3 1 514 52 52 ASN H H 8.433 0.05 1 515 52 52 ASN HA H 4.780 0.05 1 516 52 52 ASN HB2 H 2.815 0.05 2 517 52 52 ASN HB3 H 2.815 0.05 2 518 52 52 ASN C C 175.300 0.3 1 519 52 52 ASN CA C 51.675 0.3 1 520 52 52 ASN CB C 37.229 0.3 1 521 52 52 ASN N N 121.941 0.3 1 522 53 53 LYS H H 8.294 0.05 1 523 53 53 LYS HA H 4.294 0.05 1 524 53 53 LYS HB2 H 1.849 0.05 2 525 53 53 LYS HB3 H 1.849 0.05 2 526 53 53 LYS HG2 H 1.486 0.05 2 527 53 53 LYS HG3 H 1.486 0.05 2 528 53 53 LYS C C 176.330 0.3 1 529 53 53 LYS CA C 54.959 0.3 1 530 53 53 LYS CB C 31.057 0.3 1 531 53 53 LYS CG C 22.966 0.3 1 532 53 53 LYS CD C 27.436 0.3 1 533 53 53 LYS CE C 40.369 0.3 1 534 53 53 LYS N N 123.663 0.3 1 535 54 54 ALA H H 8.242 0.05 1 536 54 54 ALA HA H 4.281 0.05 1 537 54 54 ALA HB H 1.315 0.05 1 538 54 54 ALA C C 177.570 0.3 1 539 54 54 ALA CA C 51.118 0.3 1 540 54 54 ALA CB C 17.516 0.3 1 541 54 54 ALA N N 125.718 0.3 1 542 55 55 ASN H H 8.310 0.05 1 543 55 55 ASN HA H 4.712 0.05 1 544 55 55 ASN HB2 H 2.781 0.05 2 545 55 55 ASN HB3 H 2.781 0.05 2 546 55 55 ASN HD21 H 6.621 0.05 2 547 55 55 ASN C C 175.290 0.3 1 548 55 55 ASN CA C 51.640 0.3 1 549 55 55 ASN CB C 36.871 0.3 1 550 55 55 ASN N N 119.434 0.3 1 551 56 56 ILE H H 7.953 0.05 1 552 56 56 ILE HA H 4.156 0.05 1 553 56 56 ILE HB H 1.951 0.05 1 554 56 56 ILE HG12 H 0.952 0.05 1 555 56 56 ILE HG13 H 0.952 0.05 1 556 56 56 ILE HG2 H 0.793 0.05 1 557 56 56 ILE HD1 H 0.834 0.05 1 558 56 56 ILE C C 176.100 0.3 1 559 56 56 ILE CA C 59.778 0.3 1 560 56 56 ILE CB C 36.914 0.3 1 561 56 56 ILE CG1 C 25.410 0.3 1 562 56 56 ILE CG2 C 15.874 0.3 1 563 56 56 ILE CD1 C 11.464 0.3 1 564 56 56 ILE N N 122.405 0.3 1 565 57 57 ALA H H 8.310 0.05 1 566 57 57 ALA HA H 4.315 0.05 1 567 57 57 ALA HB H 1.395 0.05 1 568 57 57 ALA C C 177.940 0.3 1 569 57 57 ALA CA C 51.180 0.3 1 570 57 57 ALA CB C 17.233 0.3 1 571 57 57 ALA N N 128.741 0.3 1 572 58 58 GLN H H 8.241 0.05 1 573 58 58 GLN HA H 4.258 0.05 1 574 58 58 GLN HB2 H 2.042 0.05 2 575 58 58 GLN HB3 H 2.042 0.05 2 576 58 58 GLN HG2 H 2.383 0.05 2 577 58 58 GLN HG3 H 2.383 0.05 2 578 58 58 GLN C C 176.330 0.3 1 579 58 58 GLN CA C 54.565 0.3 1 580 58 58 GLN CB C 27.676 0.3 1 581 58 58 GLN CG C 32.085 0.3 1 582 58 58 GLN N N 121.036 0.3 1 583 59 59 GLU H H 8.404 0.05 1 584 59 59 GLU HA H 4.235 0.05 1 585 59 59 GLU HB2 H 1.963 0.05 2 586 59 59 GLU HB3 H 1.963 0.05 2 587 59 59 GLU HG2 H 2.258 0.05 2 588 59 59 GLU HG3 H 2.258 0.05 2 589 59 59 GLU C C 176.740 0.3 1 590 59 59 GLU CA C 55.071 0.3 1 591 59 59 GLU CB C 28.552 0.3 1 592 59 59 GLU CG C 34.469 0.3 1 593 59 59 GLU N N 123.093 0.3 1 594 60 60 GLN H H 8.327 0.05 1 595 60 60 GLN HA H 4.258 0.05 1 596 60 60 GLN HB2 H 2.008 0.05 2 597 60 60 GLN HB3 H 2.008 0.05 2 598 60 60 GLN HG2 H 2.340 0.05 2 599 60 60 GLN HG3 H 2.340 0.05 2 600 60 60 GLN C C 175.790 0.3 1 601 60 60 GLN CA C 54.208 0.3 1 602 60 60 GLN CB C 27.629 0.3 1 603 60 60 GLN CG C 32.141 0.3 1 604 60 60 GLN N N 122.312 0.3 1 605 61 61 GLN H H 8.267 0.05 1 606 61 61 GLN HA H 4.281 0.05 1 607 61 61 GLN HB2 H 2.190 0.05 2 608 61 61 GLN HB3 H 2.190 0.05 2 609 61 61 GLN HG2 H 2.340 0.05 2 610 61 61 GLN HG3 H 2.340 0.05 2 611 61 61 GLN C C 175.790 0.3 1 612 61 61 GLN CA C 54.192 0.3 1 613 61 61 GLN CB C 27.629 0.3 1 614 61 61 GLN CG C 32.085 0.3 1 615 61 61 GLN N N 122.574 0.3 1 616 62 62 TYR H H 8.245 0.05 1 617 62 62 TYR HA H 4.587 0.05 1 618 62 62 TYR HB2 H 2.904 0.05 2 619 62 62 TYR HB3 H 3.042 0.05 2 620 62 62 TYR C C 176.400 0.3 1 621 62 62 TYR CA C 56.097 0.3 1 622 62 62 TYR CB C 37.049 0.3 1 623 62 62 TYR N N 122.524 0.3 1 624 63 63 GLY H H 8.343 0.05 1 625 63 63 GLY HA2 H 3.944 0.05 2 626 63 63 GLY HA3 H 3.944 0.05 2 627 63 63 GLY C C 174.020 0.3 1 628 63 63 GLY CA C 43.528 0.3 1 629 63 63 GLY N N 112.042 0.3 1 630 64 64 SER H H 8.197 0.05 1 631 64 64 SER HA H 4.394 0.05 1 632 64 64 SER HB2 H 3.849 0.05 2 633 64 64 SER HB3 H 3.849 0.05 2 634 64 64 SER C C 174.580 0.3 1 635 64 64 SER CA C 56.550 0.3 1 636 64 64 SER CB C 61.977 0.3 1 637 64 64 SER N N 117.110 0.3 1 638 65 65 HIS H H 8.609 0.05 1 639 65 65 HIS HA H 4.769 0.05 1 640 65 65 HIS HB2 H 3.201 0.05 2 641 65 65 HIS HB3 H 3.201 0.05 2 642 65 65 HIS C C 174.290 0.3 1 643 65 65 HIS CA C 53.715 0.3 1 644 65 65 HIS CB C 27.408 0.3 1 645 65 65 HIS N N 122.188 0.3 1 646 66 66 GLU H H 8.386 0.05 1 647 66 66 GLU HA H 4.292 0.05 1 648 66 66 GLU HB2 H 1.960 0.05 2 649 66 66 GLU HB3 H 2.028 0.05 2 650 66 66 GLU HG2 H 2.254 0.05 2 651 66 66 GLU HG3 H 2.254 0.05 2 652 66 66 GLU C C 176.000 0.3 1 653 66 66 GLU CA C 54.660 0.3 1 654 66 66 GLU CB C 28.715 0.3 1 655 66 66 GLU CG C 34.350 0.3 1 656 66 66 GLU N N 123.470 0.3 1 657 67 67 GLU H H 8.481 0.05 1 658 67 67 GLU HA H 4.292 0.05 1 659 67 67 GLU HB2 H 1.950 0.05 2 660 67 67 GLU HB3 H 2.028 0.05 2 661 67 67 GLU HG2 H 2.258 0.05 2 662 67 67 GLU HG3 H 2.258 0.05 2 663 67 67 GLU C C 175.900 0.3 1 664 67 67 GLU CA C 54.599 0.3 1 665 67 67 GLU CB C 28.732 0.3 1 666 67 67 GLU CG C 34.600 0.3 1 667 67 67 GLU N N 124.031 0.3 1 668 70 70 PRO HA H 4.371 0.05 1 669 70 70 PRO HB2 H 1.831 0.05 2 670 70 70 PRO HB3 H 1.831 0.05 2 671 70 70 PRO HD2 H 3.220 0.05 2 672 70 70 PRO HD3 H 3.290 0.05 2 673 70 70 PRO CA C 61.723 0.3 1 674 70 70 PRO CB C 30.600 0.3 1 675 70 70 PRO CD C 48.446 0.3 1 676 75 75 THR HA H 4.123 0.05 1 677 75 75 THR HB H 3.863 0.05 1 678 75 75 THR CA C 62.205 0.3 1 679 75 75 THR CB C 67.433 0.3 1 680 82 82 MET HE H 2.074 0.05 1 681 82 82 MET CE C 15.400 0.3 1 682 99 99 ASN HA H 4.946 0.05 1 683 99 99 ASN HB2 H 2.659 0.05 2 684 99 99 ASN HB3 H 2.790 0.05 2 685 99 99 ASN CA C 49.513 0.3 1 686 99 99 ASN CB C 37.400 0.3 1 687 100 100 PRO HA H 4.383 0.05 1 688 100 100 PRO HB2 H 2.195 0.05 2 689 100 100 PRO HB3 H 2.195 0.05 2 690 100 100 PRO HG2 H 1.973 0.05 2 691 100 100 PRO HG3 H 1.973 0.05 2 692 100 100 PRO HD2 H 3.680 0.05 2 693 100 100 PRO HD3 H 3.680 0.05 2 694 100 100 PRO C C 176.830 0.3 1 695 100 100 PRO CA C 61.808 0.3 1 696 100 100 PRO CB C 30.198 0.3 1 697 100 100 PRO CG C 25.350 0.3 1 698 100 100 PRO CD C 49.011 0.3 1 699 101 101 HIS H H 8.427 0.05 1 700 101 101 HIS HA H 4.769 0.05 1 701 101 101 HIS HB2 H 3.167 0.05 2 702 101 101 HIS HB3 H 3.335 0.05 2 703 101 101 HIS C C 174.790 0.3 1 704 101 101 HIS CA C 53.236 0.3 1 705 101 101 HIS CB C 27.620 0.3 1 706 101 101 HIS N N 119.382 0.3 1 707 102 102 GLY H H 8.156 0.05 1 708 102 102 GLY HA2 H 4.127 0.05 2 709 102 102 GLY HA3 H 4.127 0.05 2 710 102 102 GLY C C 179.090 0.3 1 711 102 102 GLY CA C 43.032 0.3 1 712 102 102 GLY N N 111.325 0.3 1 713 103 103 PRO HA H 4.485 0.05 1 714 103 103 PRO HB2 H 2.300 0.05 2 715 103 103 PRO HB3 H 2.300 0.05 2 716 103 103 PRO HG2 H 2.016 0.05 2 717 103 103 PRO HG3 H 2.016 0.05 2 718 103 103 PRO HD2 H 3.648 0.05 2 719 103 103 PRO HD3 H 3.648 0.05 2 720 103 103 PRO C C 177.270 0.3 1 721 103 103 PRO CA C 61.472 0.3 1 722 103 103 PRO CB C 30.481 0.3 1 723 103 103 PRO CG C 25.469 0.3 1 724 103 103 PRO CD C 48.177 0.3 1 725 104 104 ARG H H 8.486 0.05 1 726 104 104 ARG HA H 4.312 0.05 1 727 104 104 ARG HB2 H 1.854 0.05 2 728 104 104 ARG HB3 H 1.854 0.05 2 729 104 104 ARG HG2 H 1.671 0.05 2 730 104 104 ARG HG3 H 1.671 0.05 2 731 104 104 ARG HD2 H 3.230 0.05 2 732 104 104 ARG HD3 H 3.230 0.05 2 733 104 104 ARG C C 176.440 0.3 1 734 104 104 ARG CA C 54.556 0.3 1 735 104 104 ARG CB C 29.029 0.3 1 736 104 104 ARG CG C 25.410 0.3 1 737 104 104 ARG CD C 41.740 0.3 1 738 104 104 ARG N N 122.724 0.3 1 739 105 105 GLU H H 8.330 0.05 1 740 105 105 GLU HA H 4.264 0.05 1 741 105 105 GLU HB2 H 1.984 0.05 2 742 105 105 GLU HB3 H 1.984 0.05 2 743 105 105 GLU HG2 H 2.258 0.05 2 744 105 105 GLU HG3 H 2.258 0.05 2 745 105 105 GLU C C 176.330 0.3 1 746 105 105 GLU CA C 54.637 0.3 1 747 105 105 GLU CB C 28.680 0.3 1 748 105 105 GLU CG C 34.469 0.3 1 749 105 105 GLU N N 123.536 0.3 1 750 106 106 LYS H H 8.399 0.05 1 751 106 106 LYS HA H 4.315 0.05 1 752 106 106 LYS HB2 H 1.826 0.05 2 753 106 106 LYS HB3 H 1.826 0.05 2 754 106 106 LYS HG2 H 1.438 0.05 2 755 106 106 LYS HG3 H 1.438 0.05 2 756 106 106 LYS HD2 H 1.714 0.05 2 757 106 106 LYS HD3 H 1.714 0.05 2 758 106 106 LYS HE2 H 3.016 0.05 2 759 106 106 LYS HE3 H 3.016 0.05 2 760 106 106 LYS C C 176.440 0.3 1 761 106 106 LYS CA C 54.604 0.3 1 762 106 106 LYS CB C 31.320 0.3 1 763 106 106 LYS CG C 23.085 0.3 1 764 106 106 LYS CD C 27.317 0.3 1 765 106 106 LYS CE C 40.489 0.3 1 766 106 106 LYS N N 124.951 0.3 1 767 107 107 LYS H H 8.302 0.05 1 768 107 107 LYS HA H 4.296 0.05 1 769 107 107 LYS HB2 H 1.798 0.05 2 770 107 107 LYS HB3 H 1.798 0.05 2 771 107 107 LYS HG2 H 1.406 0.05 2 772 107 107 LYS HG3 H 1.406 0.05 2 773 107 107 LYS HD2 H 1.714 0.05 2 774 107 107 LYS HD3 H 1.714 0.05 2 775 107 107 LYS HE2 H 3.016 0.05 2 776 107 107 LYS HE3 H 3.016 0.05 2 777 107 107 LYS C C 176.160 0.3 1 778 107 107 LYS CA C 54.276 0.3 1 779 107 107 LYS CB C 31.479 0.3 1 780 107 107 LYS CG C 23.085 0.3 1 781 107 107 LYS CD C 27.317 0.3 1 782 107 107 LYS CE C 40.489 0.3 1 783 107 107 LYS N N 124.614 0.3 1 784 108 108 ALA H H 8.309 0.05 1 785 108 108 ALA HA H 4.302 0.05 1 786 108 108 ALA HB H 1.363 0.05 1 787 108 108 ALA C C 177.570 0.3 1 788 108 108 ALA CA C 50.657 0.3 1 789 108 108 ALA CB C 17.600 0.3 1 790 108 108 ALA N N 127.393 0.3 1 791 109 109 LYS H H 8.355 0.05 1 792 109 109 LYS HA H 4.328 0.05 1 793 109 109 LYS HB2 H 1.769 0.05 2 794 109 109 LYS HB3 H 1.769 0.05 2 795 109 109 LYS HG2 H 1.395 0.05 2 796 109 109 LYS HG3 H 1.395 0.05 2 797 109 109 LYS HD2 H 1.719 0.05 2 798 109 109 LYS HD3 H 1.719 0.05 2 799 109 109 LYS HE2 H 3.016 0.05 2 800 109 109 LYS HE3 H 3.016 0.05 2 801 109 109 LYS C C 176.680 0.3 1 802 109 109 LYS CA C 54.559 0.3 1 803 109 109 LYS CB C 31.351 0.3 1 804 109 109 LYS CG C 23.026 0.3 1 805 109 109 LYS CD C 27.377 0.3 1 806 109 109 LYS CE C 40.429 0.3 1 807 109 109 LYS N N 123.166 0.3 1 808 110 110 VAL H H 8.211 0.05 1 809 110 110 VAL HA H 4.123 0.05 1 810 110 110 VAL HB H 2.069 0.05 1 811 110 110 VAL HG1 H 0.887 0.05 2 812 110 110 VAL HG2 H 0.945 0.05 2 813 110 110 VAL C C 176.630 0.3 1 814 110 110 VAL CA C 60.806 0.3 1 815 110 110 VAL CB C 31.033 0.3 1 816 110 110 VAL CG1 C 19.033 0.3 1 817 110 110 VAL CG2 C 19.508 0.3 1 818 110 110 VAL N N 123.770 0.3 1 819 111 111 GLY H H 8.532 0.05 1 820 111 111 GLY HA2 H 4.014 0.05 2 821 111 111 GLY HA3 H 4.014 0.05 2 822 111 111 GLY C C 174.170 0.3 1 823 111 111 GLY CA C 43.522 0.3 1 824 111 111 GLY N N 114.652 0.3 1 825 112 112 SER H H 8.228 0.05 1 826 112 112 SER HA H 4.440 0.05 1 827 112 112 SER HB2 H 3.894 0.05 2 828 112 112 SER HB3 H 3.894 0.05 2 829 112 112 SER C C 174.820 0.3 1 830 112 112 SER CA C 56.563 0.3 1 831 112 112 SER CB C 62.271 0.3 1 832 112 112 SER N N 117.440 0.3 1 833 113 113 LYS H H 8.500 0.05 1 834 113 113 LYS HA H 4.394 0.05 1 835 113 113 LYS HB2 H 1.826 0.05 2 836 113 113 LYS HB3 H 1.826 0.05 2 837 113 113 LYS HG2 H 1.463 0.05 2 838 113 113 LYS HG3 H 1.463 0.05 2 839 113 113 LYS HD2 H 1.708 0.05 2 840 113 113 LYS HD3 H 1.708 0.05 2 841 113 113 LYS HE2 H 3.010 0.05 2 842 113 113 LYS HE3 H 3.010 0.05 2 843 113 113 LYS C C 176.780 0.3 1 844 113 113 LYS CA C 54.642 0.3 1 845 113 113 LYS CB C 31.074 0.3 1 846 113 113 LYS CG C 22.966 0.3 1 847 113 113 LYS CD C 27.317 0.3 1 848 113 113 LYS CE C 40.429 0.3 1 849 113 113 LYS N N 125.103 0.3 1 850 114 114 SER H H 8.343 0.05 1 851 114 114 SER HA H 4.473 0.05 1 852 114 114 SER HB2 H 3.891 0.05 2 853 114 114 SER HB3 H 3.891 0.05 2 854 114 114 SER C C 175.088 0.3 1 855 114 114 SER CA C 56.931 0.3 1 856 114 114 SER CB C 62.216 0.3 1 857 114 114 SER N N 118.426 0.3 1 858 115 115 GLY H H 8.441 0.05 1 859 115 115 GLY HA2 H 3.985 0.05 2 860 115 115 GLY HA3 H 3.985 0.05 2 861 115 115 GLY C C 174.170 0.3 1 862 115 115 GLY CA C 43.545 0.3 1 863 115 115 GLY N N 112.759 0.3 1 864 116 116 SER H H 8.235 0.05 1 865 116 116 SER HA H 4.451 0.05 1 866 116 116 SER HB2 H 3.872 0.05 2 867 116 116 SER HB3 H 3.872 0.05 2 868 116 116 SER C C 174.560 0.3 1 869 116 116 SER CA C 56.909 0.3 1 870 116 116 SER CB C 61.823 0.3 1 871 116 116 SER N N 117.156 0.3 1 872 117 117 ASN H H 8.327 0.05 1 873 117 117 ASN HA H 4.735 0.05 1 874 117 117 ASN HB2 H 2.781 0.05 2 875 117 117 ASN HB3 H 2.818 0.05 2 876 117 117 ASN HD21 H 6.731 0.05 2 877 117 117 ASN HD22 H 6.731 0.05 2 878 117 117 ASN C C 175.290 0.3 1 879 117 117 ASN CA C 51.665 0.3 1 880 117 117 ASN CB C 37.120 0.3 1 881 117 117 ASN N N 122.312 0.3 1 882 118 118 LYS H H 8.300 0.05 1 883 118 118 LYS HA H 4.349 0.05 1 884 118 118 LYS HB2 H 1.815 0.05 2 885 118 118 LYS HB3 H 1.815 0.05 2 886 118 118 LYS HG2 H 1.452 0.05 2 887 118 118 LYS HG3 H 1.452 0.05 2 888 118 118 LYS HD2 H 1.719 0.05 2 889 118 118 LYS HD3 H 1.824 0.05 2 890 118 118 LYS HE2 H 3.303 0.05 2 891 118 118 LYS HE3 H 3.303 0.05 2 892 118 118 LYS C C 176.650 0.3 1 893 118 118 LYS CA C 54.689 0.3 1 894 118 118 LYS CB C 31.091 0.3 1 895 118 118 LYS CG C 22.972 0.3 1 896 118 118 LYS CD C 27.327 0.3 1 897 118 118 LYS CE C 40.564 0.3 1 898 118 118 LYS N N 123.425 0.3 1 899 119 119 SER H H 8.344 0.05 1 900 119 119 SER HA H 4.485 0.05 1 901 119 119 SER HB2 H 3.894 0.05 2 902 119 119 SER HB3 H 3.894 0.05 2 903 119 119 SER C C 174.560 0.3 1 904 119 119 SER CA C 56.559 0.3 1 905 119 119 SER CB C 61.944 0.3 1 906 119 119 SER N N 118.592 0.3 1 907 120 120 SER H H 8.352 0.05 1 908 120 120 SER HA H 4.531 0.05 1 909 120 120 SER HB2 H 3.872 0.05 2 910 120 120 SER HB3 H 3.872 0.05 2 911 120 120 SER C C 174.570 0.3 1 912 120 120 SER CA C 56.559 0.3 1 913 120 120 SER CB C 61.944 0.3 1 914 120 120 SER N N 119.656 0.3 1 915 121 121 ILE H H 8.128 0.05 1 916 121 121 ILE HA H 4.236 0.05 1 917 121 121 ILE HB H 1.909 0.05 1 918 121 121 ILE HG12 H 1.140 0.05 1 919 121 121 ILE HG13 H 1.140 0.05 1 920 121 121 ILE HG2 H 0.839 0.05 1 921 121 121 ILE HD1 H 0.931 0.05 1 922 121 121 ILE C C 176.370 0.3 1 923 121 121 ILE CA C 59.529 0.3 1 924 121 121 ILE CB C 37.048 0.3 1 925 121 121 ILE CG1 C 25.444 0.3 1 926 121 121 ILE CG2 C 15.910 0.3 1 927 121 121 ILE CD1 C 11.437 0.3 1 928 121 121 ILE N N 123.688 0.3 1 929 122 122 SER H H 8.346 0.05 1 930 122 122 SER HA H 4.509 0.05 1 931 122 122 SER HB2 H 3.875 0.05 2 932 122 122 SER HB3 H 3.875 0.05 2 933 122 122 SER C C 174.630 0.3 1 934 122 122 SER CA C 56.420 0.3 1 935 122 122 SER CB C 62.085 0.3 1 936 122 122 SER N N 121.116 0.3 1 937 123 123 SER H H 8.336 0.05 1 938 123 123 SER HA H 4.478 0.05 1 939 123 123 SER HB2 H 3.883 0.05 2 940 123 123 SER HB3 H 3.883 0.05 2 941 123 123 SER C C 174.560 0.3 1 942 123 123 SER CA C 56.588 0.3 1 943 123 123 SER CB C 61.996 0.3 1 944 123 123 SER N N 119.893 0.3 1 945 124 124 LYS H H 8.348 0.05 1 946 124 124 LYS HA H 4.401 0.05 1 947 124 124 LYS HB2 H 1.750 0.05 2 948 124 124 LYS HB3 H 1.810 0.05 2 949 124 124 LYS HG2 H 1.383 0.05 2 950 124 124 LYS HG3 H 1.383 0.05 2 951 124 124 LYS HD2 H 1.449 0.05 2 952 124 124 LYS HD3 H 1.449 0.05 2 953 124 124 LYS HE2 H 2.994 0.05 2 954 124 124 LYS HE3 H 2.994 0.05 2 955 124 124 LYS C C 176.670 0.3 1 956 124 124 LYS CA C 54.612 0.3 1 957 124 124 LYS CB C 31.211 0.3 1 958 124 124 LYS CG C 23.031 0.3 1 959 124 124 LYS CD C 27.209 0.3 1 960 124 124 LYS CE C 40.509 0.3 1 961 124 124 LYS N N 124.826 0.3 1 962 125 125 SER H H 8.307 0.05 1 963 125 125 SER HA H 4.460 0.05 1 964 125 125 SER HB2 H 3.887 0.05 2 965 125 125 SER HB3 H 3.887 0.05 2 966 125 125 SER C C 175.120 0.3 1 967 125 125 SER CA C 56.714 0.3 1 968 125 125 SER CB C 62.158 0.3 1 969 125 125 SER N N 118.320 0.3 1 970 126 126 GLY H H 8.418 0.05 1 971 126 126 GLY HA2 H 4.013 0.05 2 972 126 126 GLY HA3 H 4.013 0.05 2 973 126 126 GLY C C 174.070 0.3 1 974 126 126 GLY CA C 43.748 0.3 1 975 126 126 GLY N N 112.757 0.3 1 976 127 127 ASP H H 8.221 0.05 1 977 127 127 ASP HA H 4.622 0.05 1 978 127 127 ASP HB2 H 2.716 0.05 2 979 127 127 ASP HB3 H 2.716 0.05 2 980 127 127 ASP C C 177.010 0.3 1 981 127 127 ASP CA C 52.558 0.3 1 982 127 127 ASP CB C 39.511 0.3 1 983 127 127 ASP N N 121.797 0.3 1 984 128 128 GLY H H 8.440 0.05 1 985 128 128 GLY HA2 H 3.949 0.05 2 986 128 128 GLY HA3 H 3.949 0.05 2 987 128 128 GLY C C 174.460 0.3 1 988 128 128 GLY CA C 43.981 0.3 1 989 128 128 GLY N N 110.941 0.3 1 990 129 129 LYS H H 8.194 0.05 1 991 129 129 LYS HA H 4.398 0.05 1 992 129 129 LYS HB2 H 1.814 0.05 2 993 129 129 LYS HB3 H 1.814 0.05 2 994 129 129 LYS HG2 H 1.437 0.05 2 995 129 129 LYS HG3 H 1.437 0.05 2 996 129 129 LYS HD2 H 1.676 0.05 2 997 129 129 LYS HD3 H 1.676 0.05 2 998 129 129 LYS HE2 H 2.980 0.05 2 999 129 129 LYS HE3 H 2.980 0.05 2 1000 129 129 LYS HZ H 6.320 0.05 1 1001 129 129 LYS C C 176.920 0.3 1 1002 129 129 LYS CA C 54.658 0.3 1 1003 129 129 LYS CB C 31.205 0.3 1 1004 129 129 LYS CG C 22.972 0.3 1 1005 129 129 LYS CD C 27.268 0.3 1 1006 129 129 LYS CE C 40.450 0.3 1 1007 129 129 LYS N N 122.321 0.3 1 1008 130 130 THR H H 8.247 0.05 1 1009 130 130 THR HA H 4.379 0.05 1 1010 130 130 THR HB H 4.263 0.05 1 1011 130 130 THR HG2 H 1.166 0.05 1 1012 130 130 THR C C 174.440 0.3 1 1013 130 130 THR CA C 60.025 0.3 1 1014 130 130 THR CB C 68.059 0.3 1 1015 130 130 THR CG2 C 20.013 0.3 1 1016 130 130 THR N N 116.768 0.3 1 1017 131 131 SER H H 8.308 0.05 1 1018 131 131 SER HA H 4.469 0.05 1 1019 131 131 SER HB2 H 3.761 0.05 2 1020 131 131 SER HB3 H 3.761 0.05 2 1021 131 131 SER C C 174.000 0.3 1 1022 131 131 SER CA C 56.462 0.3 1 1023 131 131 SER CB C 62.183 0.3 1 1024 131 131 SER N N 120.243 0.3 1 1025 132 132 VAL H H 7.983 0.05 1 1026 132 132 VAL HA H 4.140 0.05 1 1027 132 132 VAL HB H 1.930 0.05 1 1028 132 132 VAL HG1 H 0.698 0.05 2 1029 132 132 VAL HG2 H 0.801 0.05 2 1030 132 132 VAL C C 175.430 0.3 1 1031 132 132 VAL CA C 60.370 0.3 1 1032 132 132 VAL CB C 31.044 0.3 1 1033 132 132 VAL CG1 C 18.374 0.3 1 1034 132 132 VAL CG2 C 19.370 0.3 1 1035 132 132 VAL N N 122.404 0.3 1 1036 133 133 TRP H H 8.182 0.05 1 1037 133 133 TRP HA H 4.779 0.05 1 1038 133 133 TRP HB2 H 3.179 0.05 2 1039 133 133 TRP HB3 H 3.344 0.05 2 1040 133 133 TRP C C 174.960 0.3 1 1041 133 133 TRP CA C 55.078 0.3 1 1042 133 133 TRP CB C 28.082 0.3 1 1043 133 133 TRP N N 126.498 0.3 1 1044 134 134 ILE H H 7.552 0.05 1 1045 134 134 ILE HA H 4.070 0.05 1 1046 134 134 ILE HB H 1.765 0.05 1 1047 134 134 ILE HG12 H 1.139 0.05 1 1048 134 134 ILE HG13 H 1.421 0.05 1 1049 134 134 ILE HG2 H 0.950 0.05 1 1050 134 134 ILE HD1 H 0.749 0.05 1 1051 134 134 ILE C C 173.300 0.3 1 1052 134 134 ILE CA C 60.905 0.3 1 1053 134 134 ILE CB C 38.190 0.3 1 1054 134 134 ILE CG1 C 25.613 0.3 1 1055 134 134 ILE CG2 C 16.349 0.3 1 1056 134 134 ILE CD1 C 11.540 0.3 1 1057 134 134 ILE N N 128.110 0.3 1 stop_ save_