data_17447 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignment of a common Major Urinary Protein of the mouse ; _BMRB_accession_number 17447 _BMRB_flat_file_name bmr17447.str _Entry_type original _Submission_date 2011-02-07 _Accession_date 2011-02-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phelan Marie M. . 2 McLean Lynn . . 3 Simpson Deborah . . 4 Hurst Jane L. . 5 Beynon Robert J. . 6 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 906 "13C chemical shifts" 714 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-14 update BMRB 'update entry citation' 2012-08-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C resonance assignment of darcin, a mouse major urinary protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20703836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Phelan Marie M. . 2 McLean Lynn . . 3 Simpson Deborah M. . 4 Hurst Jane L. . 5 Beynon Robert J. . 6 Lian Lu-Yun Y. . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 239 _Page_last 241 _Year 2010 _Details . loop_ _Keyword 18694Da lipocalin 'Major urinary protein (MUP)' MUP11 MUP15 MUP18 MUP18694 MUP19 MUP9 NMR 'Resonance Assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MUP11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MUP11 $MUP11 stop_ _System_molecular_weight 20336.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MUP11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MUP11 _Molecular_mass 20336.5 _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function 'pheromone binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; MGSSHHHHHHIEGREEASST GRNFNVEKINGEWHTIILAS DKREKIEDNGNFRLFLEQIH VLENSLVLKFHTVRDEECSE LSMVADKTEKAGEYSVTYDG FNTFTIPKTDYDNFLMAHLI NEKDGETFQLMGLYGREPDL SSDIKERFAQLCEEHGILRE NIIDLSNANRCLQARE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 MET 2 7 GLY 3 8 SER 4 9 SER 5 10 HIS 6 11 HIS 7 12 HIS 8 13 HIS 9 14 HIS 10 15 HIS 11 16 ILE 12 17 GLU 13 18 GLY 14 19 ARG 15 20 GLU 16 21 GLU 17 22 ALA 18 23 SER 19 24 SER 20 25 THR 21 26 GLY 22 27 ARG 23 28 ASN 24 29 PHE 25 30 ASN 26 31 VAL 27 32 GLU 28 33 LYS 29 34 ILE 30 35 ASN 31 36 GLY 32 37 GLU 33 38 TRP 34 39 HIS 35 40 THR 36 41 ILE 37 42 ILE 38 43 LEU 39 44 ALA 40 45 SER 41 46 ASP 42 47 LYS 43 48 ARG 44 49 GLU 45 50 LYS 46 51 ILE 47 52 GLU 48 53 ASP 49 54 ASN 50 55 GLY 51 56 ASN 52 57 PHE 53 58 ARG 54 59 LEU 55 60 PHE 56 61 LEU 57 62 GLU 58 63 GLN 59 64 ILE 60 65 HIS 61 66 VAL 62 67 LEU 63 68 GLU 64 69 ASN 65 70 SER 66 71 LEU 67 72 VAL 68 73 LEU 69 74 LYS 70 75 PHE 71 76 HIS 72 77 THR 73 78 VAL 74 79 ARG 75 80 ASP 76 81 GLU 77 82 GLU 78 83 CYS 79 84 SER 80 85 GLU 81 86 LEU 82 87 SER 83 88 MET 84 89 VAL 85 90 ALA 86 91 ASP 87 92 LYS 88 93 THR 89 94 GLU 90 95 LYS 91 96 ALA 92 97 GLY 93 98 GLU 94 99 TYR 95 100 SER 96 101 VAL 97 102 THR 98 103 TYR 99 104 ASP 100 105 GLY 101 106 PHE 102 107 ASN 103 108 THR 104 109 PHE 105 110 THR 106 111 ILE 107 112 PRO 108 113 LYS 109 114 THR 110 115 ASP 111 116 TYR 112 117 ASP 113 118 ASN 114 119 PHE 115 120 LEU 116 121 MET 117 122 ALA 118 123 HIS 119 124 LEU 120 125 ILE 121 126 ASN 122 127 GLU 123 128 LYS 124 129 ASP 125 130 GLY 126 131 GLU 127 132 THR 128 133 PHE 129 134 GLN 130 135 LEU 131 136 MET 132 137 GLY 133 138 LEU 134 139 TYR 135 140 GLY 136 141 ARG 137 142 GLU 138 143 PRO 139 144 ASP 140 145 LEU 141 146 SER 142 147 SER 143 148 ASP 144 149 ILE 145 150 LYS 146 151 GLU 147 152 ARG 148 153 PHE 149 154 ALA 150 155 GLN 151 156 LEU 152 157 CYS 153 158 GLU 154 159 GLU 155 160 HIS 156 161 GLY 157 162 ILE 158 163 LEU 159 164 ARG 160 165 GLU 161 166 ASN 162 167 ILE 163 168 ILE 164 169 ASP 165 170 LEU 166 171 SER 167 172 ASN 168 173 ALA 169 174 ASN 170 175 ARG 171 176 CYS 172 177 LEU 173 178 GLN 174 179 ALA 175 180 ARG 176 181 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 4340 "Mouse major urinary protein" 92.05 162 99.38 99.38 1.46e-113 PDB 1DF3 "Solution Structure Of A Recombinant Mouse Major Urinary Protein" 92.05 162 99.38 99.38 1.46e-113 PDB 1I04 "Crystal Structure Of Mouse Major Urinary Protein-I From Mouse Liver" 92.05 180 100.00 100.00 4.98e-114 PDB 1I05 "Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Hydroxy-Methyl-Heptanone" 92.05 180 100.00 100.00 4.98e-114 PDB 1I06 "Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Sec-Butyl-Thiazoline" 92.05 180 100.00 100.00 4.98e-114 PDB 1JV4 "Crystal Structure Of Recombinant Major Mouse Urinary Protein (Rmup) At 1.75 A Resolution" 92.05 162 99.38 99.38 1.46e-113 PDB 1MUP "Pheromone Binding To Two Rodent Urinary Proteins Revealed By X-Ray Crystallography" 92.05 166 100.00 100.00 4.41e-114 PDB 2LB6 "Structure Of 18694da Mup, Typical To The Major Urinary Protein Family: Mup9, Mup11, Mup15, Mup18 & Mup19" 100.00 176 100.00 100.00 7.08e-126 DBJ BAB28753 "unnamed protein product [Mus musculus]" 92.05 180 100.00 100.00 4.98e-114 DBJ BAB29093 "unnamed protein product [Mus musculus]" 92.05 181 98.77 100.00 3.72e-113 EMBL CAA26953 "major urinary protein [Mus musculus]" 92.05 180 99.38 99.38 2.77e-113 EMBL CAA27227 "MUP [Mus musculus]" 85.23 151 100.00 100.00 3.81e-105 EMBL CAA27729 "MUP [Mus musculus]" 77.27 136 97.79 98.53 1.04e-91 EMBL CAC34259 "Major Urinary Protein [Mus musculus]" 92.05 180 99.38 99.38 2.48e-113 EMBL CAQ11104 "novel member of the major urinary protein (Mup) gene family [Mus musculus]" 92.05 180 98.15 98.15 2.49e-111 GB AAA39764 "major urinary protein [Mus musculus]" 92.05 178 98.15 98.77 1.21e-111 GB AAA39765 "major urinary protein, partial [Mus musculus]" 85.23 151 100.00 100.00 3.81e-105 GB AAA39767 "major urinary protein I [Mus musculus domesticus]" 92.05 180 99.38 100.00 1.44e-113 GB AAA39768 "major urinary protein II [Mus musculus domesticus]" 92.05 180 98.77 99.38 1.10e-112 GB AAB47130 "uMUP-VIII=18.695 kda major urinary protein [mice, Balb/c, urine, Peptide, 162 aa]" 92.05 162 100.00 100.00 2.65e-114 REF NP_001039015 "major urinary protein 2 isoform 1 precursor [Mus musculus]" 92.05 180 99.38 100.00 8.78e-114 REF NP_001116119 "major urinary protein 10 precursor [Mus musculus]" 92.05 180 99.38 99.38 2.15e-113 REF NP_001128116 "major urinary protein LOC100048885 precursor [Mus musculus]" 92.05 180 98.15 98.15 2.49e-111 REF NP_001128146 "major urinary protein 13 precursor [Mus musculus]" 87.50 235 97.40 99.35 2.71e-103 REF NP_001128147 "major urinary protein 7 precursor [Mus musculus]" 87.50 235 98.70 99.35 7.50e-105 SP B5X0G2 "RecName: Full=Major urinary protein 17; Short=MUP 17; Flags: Precursor" 92.05 180 98.15 99.38 1.70e-111 SP P02762 "RecName: Full=Major urinary protein 6; Short=MUP 6; AltName: Full=Alpha-2U-globulin; AltName: Full=Group 1, BS6; AltName: Aller" 92.05 180 100.00 100.00 4.98e-114 SP P04938 "RecName: Full=Major urinary proteins 11 and 8; AltName: Full=MUP11 and MUP8" 85.23 151 100.00 100.00 3.81e-105 SP P11588 "RecName: Full=Major urinary protein 1; Short=MUP 1; Flags: Precursor" 92.05 180 99.38 100.00 1.44e-113 SP P11589 "RecName: Full=Major urinary protein 2; Short=MUP 2; Flags: Precursor" 92.05 180 98.77 99.38 1.10e-112 TPG DAA06299 "TPA_inf: major urinary protein 3 [Mus musculus]" 92.05 180 98.77 99.38 1.06e-112 TPG DAA06300 "TPA_inf: major urinary protein 4 [Mus musculus]" 92.05 180 99.38 100.00 8.78e-114 TPG DAA06301 "TPA_inf: major urinary protein 5 [Mus musculus]" 92.05 180 98.77 98.77 2.63e-112 TPG DAA06302 "TPA_inf: major urinary protein 6 [Mus musculus]" 92.05 180 100.00 100.00 4.98e-114 TPG DAA06303 "TPA_inf: major urinary protein 7 [Mus musculus]" 92.05 180 99.38 100.00 1.27e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $MUP11 Mouse 10090 Eukaryota Metazoa Mus musculus C57BL 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 _Details $MUP11 'recombinant technology' . Escherichia coli BL21(DE3) pET28b 'incoporates a N terminal His-tag' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MUP11 1 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MUP11 1 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.2 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_DANGLE _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'Secondary structure calculation' stop_ _Details . save_ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection refinement stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'David Wishart, Brian Sykes' . . stop_ loop_ _Task 'Secondary structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_(aromatic)_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aromatic)' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 25 . mM pH 6.8 . pH pressure 1 . atm temperature 300 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HBHANH' '3D HNCO' '3D HN(CA)CO' '2D (HB)CB(CGCD)HD' '2D 1H-13C HSQC (aromatic)' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MUP11 _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 15 10 HIS HA H 4.552 0.003 1 2 15 10 HIS HB2 H 3.008 0.009 2 3 15 10 HIS HB3 H 3.035 0.001 2 4 15 10 HIS C C 175.691 0.001 1 5 15 10 HIS CA C 56.165 0.012 1 6 15 10 HIS CB C 30.464 0.032 1 7 16 11 ILE H H 8.112 0.001 1 8 16 11 ILE HA H 4.057 0.002 1 9 16 11 ILE HB H 1.727 0.003 1 10 16 11 ILE HG12 H 1.049 0.003 2 11 16 11 ILE HG13 H 1.343 0.002 2 12 16 11 ILE HG2 H 0.805 0.003 1 13 16 11 ILE HD1 H 0.769 0.005 1 14 16 11 ILE C C 174.577 0.001 1 15 16 11 ILE CA C 60.914 0.006 1 16 16 11 ILE CB C 38.776 0.074 1 17 16 11 ILE CG1 C 27.155 0.041 1 18 16 11 ILE CG2 C 17.432 0.019 1 19 16 11 ILE CD1 C 12.879 0.016 1 20 16 11 ILE N N 123.453 0.011 1 21 17 12 GLU H H 8.488 0.001 1 22 17 12 GLU HA H 4.223 0.003 1 23 17 12 GLU HB2 H 1.905 0.002 2 24 17 12 GLU HB3 H 2.011 0.008 2 25 17 12 GLU HG2 H 2.237 0.002 2 26 17 12 GLU C C 173.554 0.001 1 27 17 12 GLU CA C 56.684 0.029 1 28 17 12 GLU CB C 30.257 0.054 1 29 17 12 GLU CG C 36.206 0.040 1 30 17 12 GLU N N 125.224 0.008 1 31 18 13 GLY H H 8.491 0.001 1 32 18 13 GLY HA2 H 3.940 0.001 2 33 18 13 GLY C C 176.383 0.006 1 34 18 13 GLY CA C 45.424 0.027 1 35 18 13 GLY N N 110.569 0.007 1 36 19 14 ARG H H 8.154 0.001 1 37 19 14 ARG HA H 4.409 0.004 1 38 19 14 ARG HB2 H 1.805 0.005 2 39 19 14 ARG HB3 H 1.917 0.002 2 40 19 14 ARG HG2 H 1.655 0.011 2 41 19 14 ARG HD3 H 3.251 0.010 2 42 19 14 ARG C C 174.431 0.003 1 43 19 14 ARG CA C 55.843 0.025 1 44 19 14 ARG CB C 31.000 0.053 1 45 19 14 ARG CG C 27.159 0.033 1 46 19 14 ARG CD C 43.328 0.006 1 47 19 14 ARG N N 120.713 0.007 1 48 20 15 GLU H H 8.564 0.001 1 49 20 15 GLU HA H 4.350 0.003 1 50 20 15 GLU HB2 H 2.047 0.001 2 51 20 15 GLU HB3 H 1.972 0.008 2 52 20 15 GLU HG2 H 2.257 0.001 2 53 20 15 GLU C C 174.984 0.004 1 54 20 15 GLU CA C 56.375 0.085 1 55 20 15 GLU CB C 30.930 0.015 1 56 20 15 GLU CG C 36.250 0.002 1 57 20 15 GLU N N 123.011 0.010 1 58 21 16 GLU H H 8.231 0.001 1 59 21 16 GLU HA H 4.598 0.007 1 60 21 16 GLU HB2 H 1.874 0.010 2 61 21 16 GLU HG2 H 2.342 0.003 2 62 21 16 GLU C C 174.976 0.007 1 63 21 16 GLU CA C 55.293 0.008 1 64 21 16 GLU CB C 32.021 0.013 1 65 21 16 GLU CG C 36.937 0.020 1 66 21 16 GLU N N 121.008 0.010 1 67 22 17 ALA H H 8.686 0.002 1 68 22 17 ALA HA H 4.788 0.003 1 69 22 17 ALA HB H 1.392 0.002 1 70 22 17 ALA C C 175.206 0.009 1 71 22 17 ALA CA C 51.239 0.026 1 72 22 17 ALA CB C 23.255 0.027 1 73 22 17 ALA N N 125.015 0.010 1 74 23 18 SER H H 8.044 0.001 1 75 23 18 SER HA H 4.825 0.007 1 76 23 18 SER HB2 H 3.812 0.002 2 77 23 18 SER HB3 H 3.654 0.007 2 78 23 18 SER C C 173.952 0.005 1 79 23 18 SER CA C 55.000 0.034 1 80 23 18 SER CB C 66.147 0.011 1 81 23 18 SER N N 111.655 0.017 1 82 24 19 SER H H 9.246 0.004 1 83 24 19 SER HA H 3.620 0.003 1 84 24 19 SER HB2 H 3.063 0.007 2 85 24 19 SER HB3 H 2.256 0.003 2 86 24 19 SER C C 176.259 0.001 1 87 24 19 SER CA C 60.466 0.045 1 88 24 19 SER CB C 60.507 0.044 1 89 24 19 SER N N 120.672 0.038 1 90 25 20 THR H H 7.131 0.003 1 91 25 20 THR HA H 3.968 0.004 1 92 25 20 THR HB H 4.390 0.003 1 93 25 20 THR HG2 H 1.123 0.003 1 94 25 20 THR C C 175.411 0.007 1 95 25 20 THR CA C 61.251 0.027 1 96 25 20 THR CB C 68.594 0.047 1 97 25 20 THR CG2 C 21.074 0.028 1 98 25 20 THR N N 108.567 0.040 1 99 26 21 GLY H H 7.610 0.002 1 100 26 21 GLY HA2 H 3.830 0.001 2 101 26 21 GLY HA3 H 4.345 0.001 2 102 26 21 GLY C C 175.740 0.004 1 103 26 21 GLY CA C 44.207 0.007 1 104 26 21 GLY N N 110.597 0.027 1 105 27 22 ARG H H 8.618 0.004 1 106 27 22 ARG HA H 4.213 0.001 1 107 27 22 ARG HB2 H 1.807 0.001 2 108 27 22 ARG HB3 H 1.823 0.002 2 109 27 22 ARG HG2 H 1.684 0.001 2 110 27 22 ARG HD2 H 3.196 0.002 2 111 27 22 ARG C C 173.482 0.001 1 112 27 22 ARG CA C 57.388 0.015 1 113 27 22 ARG CB C 30.397 0.062 1 114 27 22 ARG CG C 27.310 0.022 1 115 27 22 ARG CD C 43.184 0.048 1 116 27 22 ARG N N 120.283 0.053 1 117 28 23 ASN H H 8.636 0.002 1 118 28 23 ASN HA H 4.685 0.001 1 119 28 23 ASN HB3 H 2.892 0.003 2 120 28 23 ASN HD21 H 7.713 0.002 2 121 28 23 ASN HD22 H 6.938 0.002 2 122 28 23 ASN C C 175.592 0.012 1 123 28 23 ASN CA C 52.851 0.031 1 124 28 23 ASN CB C 37.844 0.015 1 125 28 23 ASN N N 112.867 0.002 1 126 29 24 PHE H H 7.817 0.001 1 127 29 24 PHE HA H 4.248 0.001 1 128 29 24 PHE HB2 H 3.537 0.003 2 129 29 24 PHE HB3 H 2.931 0.001 2 130 29 24 PHE HD1 H 7.219 0.003 3 131 29 24 PHE HD2 H 7.219 0.003 3 132 29 24 PHE HE1 H 7.155 0.002 3 133 29 24 PHE HE2 H 7.155 0.002 3 134 29 24 PHE HZ H 7.058 0.003 1 135 29 24 PHE C C 175.510 0.017 1 136 29 24 PHE CA C 58.388 0.010 1 137 29 24 PHE CB C 39.674 0.031 1 138 29 24 PHE CD1 C 133.094 0.031 3 139 29 24 PHE CD2 C 133.094 0.031 3 140 29 24 PHE CE1 C 130.536 0.031 3 141 29 24 PHE CE2 C 130.536 0.031 3 142 29 24 PHE CZ C 128.097 0.052 1 143 29 24 PHE N N 121.649 0.006 1 144 30 25 ASN H H 7.689 0.002 1 145 30 25 ASN HA H 4.727 0.010 1 146 30 25 ASN HB2 H 2.210 0.005 2 147 30 25 ASN HB3 H 2.458 0.008 2 148 30 25 ASN HD21 H 6.780 0.002 2 149 30 25 ASN HD22 H 7.266 0.002 2 150 30 25 ASN C C 176.420 0.002 1 151 30 25 ASN CA C 50.717 0.024 1 152 30 25 ASN CB C 38.146 0.018 1 153 30 25 ASN N N 127.589 0.021 1 154 30 25 ASN ND2 N 110.144 0.001 1 155 31 26 VAL H H 8.115 0.002 1 156 31 26 VAL HA H 3.159 0.003 1 157 31 26 VAL HB H 2.084 0.004 1 158 31 26 VAL HG1 H 0.937 0.003 2 159 31 26 VAL HG2 H 1.119 0.004 2 160 31 26 VAL C C 175.150 0.011 1 161 31 26 VAL CA C 64.319 0.024 1 162 31 26 VAL CB C 31.709 0.045 1 163 31 26 VAL CG1 C 19.214 0.021 2 164 31 26 VAL CG2 C 21.889 0.044 2 165 31 26 VAL N N 123.347 0.026 1 166 32 27 GLU H H 8.053 0.002 1 167 32 27 GLU HA H 3.742 0.003 1 168 32 27 GLU HB2 H 1.865 0.007 2 169 32 27 GLU HB3 H 1.842 0.001 2 170 32 27 GLU HG2 H 2.185 0.001 2 171 32 27 GLU HG3 H 2.104 0.001 2 172 32 27 GLU C C 171.193 0.001 1 173 32 27 GLU CA C 59.483 0.033 1 174 32 27 GLU CB C 28.476 0.070 1 175 32 27 GLU CG C 36.527 0.007 1 176 32 27 GLU N N 118.279 0.006 1 177 33 28 LYS H H 7.294 0.002 1 178 33 28 LYS HA H 3.953 0.003 1 179 33 28 LYS HB2 H 0.939 0.012 2 180 33 28 LYS HB3 H 1.290 0.005 2 181 33 28 LYS HG2 H 0.950 0.002 2 182 33 28 LYS HD2 H 1.069 0.003 2 183 33 28 LYS HD3 H 0.961 0.001 2 184 33 28 LYS HE2 H 2.553 0.005 2 185 33 28 LYS HE3 H 2.520 0.001 2 186 33 28 LYS C C 172.217 0.013 1 187 33 28 LYS CA C 57.508 0.009 1 188 33 28 LYS CB C 31.501 0.023 1 189 33 28 LYS CG C 25.611 0.044 1 190 33 28 LYS CD C 28.672 0.002 1 191 33 28 LYS CE C 41.407 0.023 1 192 33 28 LYS N N 114.915 0.036 1 193 34 29 ILE H H 7.611 0.010 1 194 34 29 ILE HA H 4.920 0.005 1 195 34 29 ILE HB H 2.268 0.003 1 196 34 29 ILE HG12 H 2.017 0.009 2 197 34 29 ILE HG13 H 1.068 0.001 2 198 34 29 ILE HG2 H 1.071 0.003 1 199 34 29 ILE HD1 H 0.702 0.005 1 200 34 29 ILE C C 175.838 0.003 1 201 34 29 ILE CA C 61.924 0.019 1 202 34 29 ILE CB C 37.829 0.064 1 203 34 29 ILE CG1 C 24.851 0.078 1 204 34 29 ILE CG2 C 18.326 0.057 1 205 34 29 ILE CD1 C 14.456 0.009 1 206 34 29 ILE N N 110.147 0.037 1 207 35 30 ASN H H 7.062 0.002 1 208 35 30 ASN HA H 4.381 0.001 1 209 35 30 ASN HB2 H 2.730 0.002 2 210 35 30 ASN HB3 H 2.686 0.011 2 211 35 30 ASN HD21 H 7.755 0.002 2 212 35 30 ASN HD22 H 7.202 0.004 2 213 35 30 ASN C C 173.504 0.001 1 214 35 30 ASN CA C 55.040 0.012 1 215 35 30 ASN CB C 41.311 0.045 1 216 35 30 ASN N N 115.624 0.029 1 217 36 31 GLY H H 9.344 0.002 1 218 36 31 GLY HA2 H 4.364 0.001 2 219 36 31 GLY HA3 H 3.770 0.001 2 220 36 31 GLY C C 178.128 0.004 1 221 36 31 GLY CA C 44.574 0.013 1 222 36 31 GLY N N 111.970 0.025 1 223 37 32 GLU H H 8.349 0.001 1 224 37 32 GLU HA H 4.480 0.005 1 225 37 32 GLU HB2 H 1.786 0.007 2 226 37 32 GLU HB3 H 2.205 0.018 2 227 37 32 GLU HG2 H 2.217 0.001 2 228 37 32 GLU HG3 H 1.959 0.001 2 229 37 32 GLU C C 174.662 0.001 1 230 37 32 GLU CA C 57.046 0.016 1 231 37 32 GLU CB C 30.399 0.054 1 232 37 32 GLU CG C 36.536 0.044 1 233 37 32 GLU N N 121.275 0.029 1 234 38 33 TRP H H 7.462 0.002 1 235 38 33 TRP HA H 4.780 0.003 1 236 38 33 TRP HB2 H 2.025 0.003 2 237 38 33 TRP HB3 H 3.039 0.005 2 238 38 33 TRP HD1 H 6.684 0.001 1 239 38 33 TRP HZ2 H 7.085 0.002 1 240 38 33 TRP HZ3 H 6.523 0.012 1 241 38 33 TRP HH2 H 6.466 0.004 1 242 38 33 TRP C C 177.477 0.001 1 243 38 33 TRP CA C 55.715 0.046 1 244 38 33 TRP CB C 37.318 0.020 1 245 38 33 TRP CD1 C 126.849 0.001 1 246 38 33 TRP CZ2 C 113.584 0.020 1 247 38 33 TRP CZ3 C 121.281 0.028 1 248 38 33 TRP CH2 C 123.481 0.034 1 249 38 33 TRP N N 122.430 0.025 1 250 39 34 HIS H H 8.997 0.002 1 251 39 34 HIS HA H 5.137 0.003 1 252 39 34 HIS HB2 H 2.840 0.005 2 253 39 34 HIS HB3 H 2.971 0.001 2 254 39 34 HIS HD2 H 6.554 0.001 1 255 39 34 HIS C C 173.129 0.004 1 256 39 34 HIS CA C 55.220 0.033 1 257 39 34 HIS CB C 33.618 0.034 1 258 39 34 HIS N N 113.445 0.022 1 259 40 35 THR H H 10.433 0.004 1 260 40 35 THR HA H 4.326 0.003 1 261 40 35 THR HB H 4.485 0.003 1 262 40 35 THR HG2 H 1.004 0.003 1 263 40 35 THR C C 177.829 0.003 1 264 40 35 THR CA C 65.085 0.033 1 265 40 35 THR CB C 69.828 0.030 1 266 40 35 THR CG2 C 22.459 0.074 1 267 40 35 THR N N 121.982 0.034 1 268 41 36 ILE H H 8.975 0.003 1 269 41 36 ILE HA H 4.098 0.006 1 270 41 36 ILE HB H 1.605 0.011 1 271 41 36 ILE HG12 H 1.673 0.001 2 272 41 36 ILE HG13 H 1.098 0.007 2 273 41 36 ILE HG2 H 0.913 0.002 1 274 41 36 ILE HD1 H 0.615 0.004 1 275 41 36 ILE C C 175.940 0.008 1 276 41 36 ILE CA C 61.018 0.061 1 277 41 36 ILE CB C 37.148 0.075 1 278 41 36 ILE CG1 C 26.792 0.077 1 279 41 36 ILE CG2 C 18.184 0.023 1 280 41 36 ILE CD1 C 9.384 0.015 1 281 41 36 ILE N N 127.642 0.022 1 282 42 37 ILE H H 7.448 0.002 1 283 42 37 ILE HA H 4.842 0.005 1 284 42 37 ILE HB H 1.081 0.008 1 285 42 37 ILE HG12 H 1.057 0.004 2 286 42 37 ILE HG13 H 1.397 0.007 2 287 42 37 ILE HG2 H 0.830 0.004 1 288 42 37 ILE HD1 H 0.717 0.007 1 289 42 37 ILE C C 175.989 0.012 1 290 42 37 ILE CA C 59.557 0.064 1 291 42 37 ILE CB C 41.589 0.058 1 292 42 37 ILE CG1 C 27.996 0.070 1 293 42 37 ILE CG2 C 21.081 0.026 1 294 42 37 ILE CD1 C 13.162 0.013 1 295 42 37 ILE N N 114.652 0.017 1 296 43 38 LEU H H 8.260 0.002 1 297 43 38 LEU HA H 5.241 0.009 1 298 43 38 LEU HB2 H 1.554 0.009 2 299 43 38 LEU HB3 H 1.342 0.008 2 300 43 38 LEU HG H 1.358 0.014 1 301 43 38 LEU HD1 H 0.921 0.005 2 302 43 38 LEU HD2 H 1.128 0.003 2 303 43 38 LEU C C 176.477 0.002 1 304 43 38 LEU CA C 53.534 0.006 1 305 43 38 LEU CB C 47.160 0.033 1 306 43 38 LEU CG C 26.839 0.062 1 307 43 38 LEU CD1 C 25.780 0.015 2 308 43 38 LEU CD2 C 23.212 0.048 2 309 43 38 LEU N N 122.911 0.019 1 310 44 39 ALA H H 9.053 0.002 1 311 44 39 ALA HA H 5.389 0.002 1 312 44 39 ALA HB H 1.394 0.002 1 313 44 39 ALA C C 174.415 0.008 1 314 44 39 ALA CA C 50.673 0.021 1 315 44 39 ALA CB C 26.559 0.013 1 316 44 39 ALA N N 122.360 0.027 1 317 45 40 SER H H 7.278 0.003 1 318 45 40 SER HA H 5.324 0.003 1 319 45 40 SER HB2 H 3.907 0.005 2 320 45 40 SER HB3 H 3.041 0.001 2 321 45 40 SER C C 176.837 0.003 1 322 45 40 SER CA C 56.180 0.016 1 323 45 40 SER CB C 66.397 0.022 1 324 45 40 SER N N 112.270 0.022 1 325 46 41 ASP H H 8.679 0.001 1 326 46 41 ASP HA H 4.688 0.001 1 327 46 41 ASP HB2 H 3.109 0.002 2 328 46 41 ASP HB3 H 2.564 0.001 2 329 46 41 ASP C C 174.195 0.007 1 330 46 41 ASP CA C 54.858 0.024 1 331 46 41 ASP CB C 39.751 0.021 1 332 46 41 ASP N N 122.808 0.022 1 333 47 42 LYS H H 8.203 0.002 1 334 47 42 LYS HA H 4.517 0.004 1 335 47 42 LYS HB2 H 1.161 0.008 2 336 47 42 LYS HB3 H 1.356 0.005 2 337 47 42 LYS HG2 H 1.259 0.003 2 338 47 42 LYS HG3 H 1.132 0.009 2 339 47 42 LYS HD2 H 1.422 0.004 2 340 47 42 LYS HE2 H 2.937 0.002 2 341 47 42 LYS C C 174.602 0.008 1 342 47 42 LYS CA C 55.443 0.053 1 343 47 42 LYS CB C 32.553 0.072 1 344 47 42 LYS CG C 25.352 0.071 1 345 47 42 LYS CD C 29.501 0.035 1 346 47 42 LYS CE C 42.126 0.019 1 347 47 42 LYS N N 122.501 0.019 1 348 48 43 ARG H H 8.600 0.003 1 349 48 43 ARG HA H 3.360 0.002 1 350 48 43 ARG HB2 H 1.661 0.001 2 351 48 43 ARG HB3 H 1.637 0.008 2 352 48 43 ARG HG2 H 1.248 0.006 2 353 48 43 ARG HG3 H 1.855 0.002 2 354 48 43 ARG HD2 H 3.254 0.003 2 355 48 43 ARG HD3 H 3.139 0.001 2 356 48 43 ARG C C 173.220 0.001 1 357 48 43 ARG CA C 60.455 0.016 1 358 48 43 ARG CB C 30.576 0.066 1 359 48 43 ARG CG C 29.175 0.030 1 360 48 43 ARG CD C 43.269 0.020 1 361 48 43 ARG N N 127.140 0.020 1 362 49 44 GLU H H 9.343 0.001 1 363 49 44 GLU HA H 4.019 0.001 1 364 49 44 GLU HB3 H 1.909 0.002 2 365 49 44 GLU HG2 H 2.118 0.002 2 366 49 44 GLU HG3 H 1.973 0.005 2 367 49 44 GLU C C 171.973 0.006 1 368 49 44 GLU CA C 58.790 0.034 1 369 49 44 GLU CB C 27.981 0.077 1 370 49 44 GLU CG C 35.509 0.010 1 371 49 44 GLU N N 114.782 0.011 1 372 50 45 LYS H H 7.435 0.002 1 373 50 45 LYS HA H 4.082 0.004 1 374 50 45 LYS HB2 H 1.511 0.005 2 375 50 45 LYS HB3 H 1.438 0.001 2 376 50 45 LYS HG2 H 1.112 0.003 2 377 50 45 LYS HG3 H 1.260 0.003 2 378 50 45 LYS HD2 H 1.445 0.001 2 379 50 45 LYS HD3 H 1.508 0.001 2 380 50 45 LYS HE2 H 2.718 0.013 2 381 50 45 LYS HE3 H 2.756 0.005 2 382 50 45 LYS C C 173.244 0.004 1 383 50 45 LYS CA C 56.773 0.028 1 384 50 45 LYS CB C 31.898 0.072 1 385 50 45 LYS CG C 24.962 0.033 1 386 50 45 LYS CD C 29.278 0.007 1 387 50 45 LYS CE C 41.886 0.016 1 388 50 45 LYS N N 116.319 0.022 1 389 51 46 ILE H H 7.458 0.003 1 390 51 46 ILE HA H 4.257 0.004 1 391 51 46 ILE HB H 1.976 0.006 1 392 51 46 ILE HG12 H 0.833 0.003 2 393 51 46 ILE HG13 H 1.404 0.002 2 394 51 46 ILE HG2 H 0.621 0.003 1 395 51 46 ILE HD1 H 0.678 0.003 1 396 51 46 ILE C C 175.225 0.003 1 397 51 46 ILE CA C 60.878 0.011 1 398 51 46 ILE CB C 38.762 0.062 1 399 51 46 ILE CG2 C 19.306 0.025 1 400 51 46 ILE CD1 C 14.938 0.013 1 401 51 46 ILE N N 106.276 0.027 1 402 52 47 GLU H H 6.566 0.001 1 403 52 47 GLU HA H 4.055 0.002 1 404 52 47 GLU HB2 H 1.801 0.004 2 405 52 47 GLU HB3 H 2.165 0.007 2 406 52 47 GLU HG2 H 2.153 0.001 2 407 52 47 GLU HG3 H 2.560 0.003 2 408 52 47 GLU C C 175.081 0.011 1 409 52 47 GLU CA C 56.491 0.025 1 410 52 47 GLU CB C 31.203 0.025 1 411 52 47 GLU CG C 37.216 0.023 1 412 52 47 GLU N N 121.230 0.017 1 413 53 48 ASP H H 8.372 0.002 1 414 53 48 ASP HA H 4.051 0.001 1 415 53 48 ASP HB2 H 2.498 0.002 2 416 53 48 ASP C C 173.230 0.005 1 417 53 48 ASP CA C 57.740 0.023 1 418 53 48 ASP CB C 40.804 0.024 1 419 53 48 ASP N N 118.027 0.017 1 420 54 49 ASN H H 8.915 0.002 1 421 54 49 ASN HA H 4.598 0.006 1 422 54 49 ASN HB2 H 2.946 0.005 2 423 54 49 ASN HD21 H 7.464 0.001 2 424 54 49 ASN HD22 H 6.962 0.001 2 425 54 49 ASN C C 175.181 0.004 1 426 54 49 ASN CA C 54.304 0.019 1 427 54 49 ASN CB C 37.741 0.030 1 428 54 49 ASN N N 116.880 0.022 1 429 55 50 GLY H H 8.767 0.001 1 430 55 50 GLY HA2 H 4.046 0.001 2 431 55 50 GLY HA3 H 3.568 0.001 2 432 55 50 GLY C C 173.789 0.008 1 433 55 50 GLY CA C 45.278 0.002 1 434 55 50 GLY N N 109.843 0.009 1 435 56 51 ASN H H 9.302 0.003 1 436 56 51 ASN HA H 4.412 0.002 1 437 56 51 ASN HB2 H 2.663 0.004 2 438 56 51 ASN HB3 H 2.433 0.003 2 439 56 51 ASN HD21 H 7.332 0.003 2 440 56 51 ASN HD22 H 6.926 0.005 2 441 56 51 ASN C C 174.915 0.003 1 442 56 51 ASN CA C 54.471 0.060 1 443 56 51 ASN CB C 36.879 0.071 1 444 56 51 ASN N N 121.375 0.031 1 445 56 51 ASN ND2 N 111.302 0.058 1 446 57 52 PHE H H 8.534 0.002 1 447 57 52 PHE HA H 4.283 0.001 1 448 57 52 PHE HB2 H 2.431 0.001 2 449 57 52 PHE HB3 H 3.280 0.001 2 450 57 52 PHE HD1 H 7.020 0.007 3 451 57 52 PHE HD2 H 7.020 0.007 3 452 57 52 PHE HE1 H 7.535 0.001 3 453 57 52 PHE HE2 H 7.535 0.001 3 454 57 52 PHE C C 175.998 0.013 1 455 57 52 PHE CA C 58.179 0.017 1 456 57 52 PHE CB C 37.527 0.058 1 457 57 52 PHE CD1 C 130.890 0.056 3 458 57 52 PHE CD2 C 130.890 0.056 3 459 57 52 PHE CE1 C 132.359 0.001 3 460 57 52 PHE CE2 C 132.359 0.001 3 461 57 52 PHE N N 115.203 0.016 1 462 58 53 ARG H H 7.080 0.002 1 463 58 53 ARG HA H 3.888 0.003 1 464 58 53 ARG HB2 H 1.152 0.001 2 465 58 53 ARG HB3 H 1.887 0.003 2 466 58 53 ARG C C 177.669 0.011 1 467 58 53 ARG CA C 54.995 0.040 1 468 58 53 ARG CB C 27.761 0.059 1 469 58 53 ARG N N 124.147 0.017 1 470 59 54 LEU H H 6.610 0.003 1 471 59 54 LEU HA H 4.173 0.002 1 472 59 54 LEU HB2 H 1.044 0.004 2 473 59 54 LEU HB3 H 0.523 0.004 2 474 59 54 LEU HG H 0.630 0.010 1 475 59 54 LEU HD1 H -0.415 0.002 2 476 59 54 LEU HD2 H -0.013 0.002 2 477 59 54 LEU C C 174.188 0.005 1 478 59 54 LEU CA C 53.199 0.036 1 479 59 54 LEU CB C 45.020 0.026 1 480 59 54 LEU CG C 25.849 0.079 1 481 59 54 LEU CD1 C 23.777 0.037 2 482 59 54 LEU CD2 C 22.824 0.011 2 483 59 54 LEU N N 124.004 0.033 1 484 60 55 PHE H H 8.630 0.006 1 485 60 55 PHE C C 175.359 0.018 1 486 60 55 PHE N N 124.251 0.029 1 487 61 56 LEU H H 8.424 0.003 1 488 61 56 LEU HA H 3.821 0.005 1 489 61 56 LEU HB2 H 1.536 0.002 2 490 61 56 LEU HB3 H 1.011 0.010 2 491 61 56 LEU HG H 0.954 0.001 1 492 61 56 LEU HD1 H -0.338 0.005 2 493 61 56 LEU HD2 H -0.186 0.005 2 494 61 56 LEU C C 175.801 0.009 1 495 61 56 LEU CA C 56.313 0.024 1 496 61 56 LEU CB C 42.799 0.073 1 497 61 56 LEU CG C 26.776 0.028 1 498 61 56 LEU CD1 C 25.192 0.035 2 499 61 56 LEU CD2 C 21.271 0.036 2 500 61 56 LEU N N 129.428 0.038 1 501 62 57 GLU H H 8.996 0.003 1 502 62 57 GLU HA H 4.892 0.010 1 503 62 57 GLU HB2 H 1.692 0.010 2 504 62 57 GLU HB3 H 1.939 0.006 2 505 62 57 GLU HG2 H 2.266 0.004 2 506 62 57 GLU HG3 H 2.359 0.010 2 507 62 57 GLU C C 173.370 0.010 1 508 62 57 GLU CA C 56.115 0.048 1 509 62 57 GLU CB C 32.588 0.066 1 510 62 57 GLU CG C 35.476 0.068 1 511 62 57 GLU N N 121.283 0.028 1 512 63 58 GLN H H 7.298 0.003 1 513 63 58 GLN HA H 5.140 0.002 1 514 63 58 GLN HB2 H 2.031 0.005 2 515 63 58 GLN HG2 H 1.659 0.002 2 516 63 58 GLN HG3 H 1.758 0.004 2 517 63 58 GLN HE21 H 7.583 0.003 2 518 63 58 GLN HE22 H 6.678 0.001 2 519 63 58 GLN C C 176.622 0.002 1 520 63 58 GLN CA C 54.550 0.009 1 521 63 58 GLN CB C 33.689 0.031 1 522 63 58 GLN CG C 33.740 0.014 1 523 63 58 GLN N N 114.556 0.040 1 524 63 58 GLN NE2 N 111.153 0.016 1 525 64 59 ILE H H 8.750 0.002 1 526 64 59 ILE HA H 4.547 0.005 1 527 64 59 ILE HB H 1.871 0.002 1 528 64 59 ILE HG12 H 1.351 0.003 2 529 64 59 ILE HG2 H 0.491 0.005 1 530 64 59 ILE HD1 H 0.052 0.003 1 531 64 59 ILE C C 175.211 0.008 1 532 64 59 ILE CA C 60.944 0.018 1 533 64 59 ILE CB C 40.015 0.070 1 534 64 59 ILE CG1 C 27.455 0.001 1 535 64 59 ILE CG2 C 17.362 0.038 1 536 64 59 ILE CD1 C 11.537 0.032 1 537 64 59 ILE N N 120.603 0.027 1 538 65 60 HIS H H 9.349 0.002 1 539 65 60 HIS HA H 5.366 0.014 1 540 65 60 HIS HB2 H 2.894 0.003 2 541 65 60 HIS HB3 H 3.053 0.013 2 542 65 60 HIS HD2 H 6.776 0.001 1 543 65 60 HIS C C 176.117 0.007 1 544 65 60 HIS CA C 53.485 0.049 1 545 65 60 HIS CB C 31.556 0.065 1 546 65 60 HIS CD2 C 119.068 0.001 1 547 65 60 HIS N N 127.463 0.014 1 548 66 61 VAL H H 8.730 0.004 1 549 66 61 VAL HA H 3.903 0.005 1 550 66 61 VAL HB H 1.941 0.003 1 551 66 61 VAL HG1 H 0.839 0.004 2 552 66 61 VAL C C 175.379 0.008 1 553 66 61 VAL CA C 63.780 0.041 1 554 66 61 VAL CB C 31.985 0.045 1 555 66 61 VAL CG1 C 22.175 0.078 2 556 66 61 VAL N N 127.266 0.045 1 557 67 62 LEU H H 8.141 0.001 1 558 67 62 LEU HA H 4.687 0.003 1 559 67 62 LEU HB2 H 1.632 0.008 2 560 67 62 LEU HG H 1.385 0.004 1 561 67 62 LEU HD1 H 0.733 0.005 2 562 67 62 LEU HD2 H 0.735 0.002 2 563 67 62 LEU C C 174.100 0.011 1 564 67 62 LEU CA C 53.450 0.033 1 565 67 62 LEU CB C 43.150 0.082 1 566 67 62 LEU CG C 27.580 0.045 1 567 67 62 LEU CD1 C 23.394 0.035 2 568 67 62 LEU CD2 C 25.215 0.033 2 569 67 62 LEU N N 130.129 0.015 1 570 68 63 GLU H H 8.369 0.002 1 571 68 63 GLU HA H 3.898 0.002 1 572 68 63 GLU HB2 H 1.901 0.006 2 573 68 63 GLU HB3 H 2.020 0.009 2 574 68 63 GLU HG2 H 2.222 0.002 2 575 68 63 GLU C C 172.901 0.004 1 576 68 63 GLU CA C 60.109 0.020 1 577 68 63 GLU CB C 29.313 0.074 1 578 68 63 GLU CG C 36.157 0.001 1 579 68 63 GLU N N 119.757 0.028 1 580 69 64 ASN H H 8.613 0.001 1 581 69 64 ASN HA H 4.980 0.004 1 582 69 64 ASN HB2 H 3.045 0.003 2 583 69 64 ASN HB3 H 2.699 0.001 2 584 69 64 ASN HD21 H 7.635 0.001 2 585 69 64 ASN HD22 H 6.932 0.002 2 586 69 64 ASN C C 176.326 0.001 1 587 69 64 ASN CA C 52.909 0.019 1 588 69 64 ASN CB C 40.389 0.038 1 589 69 64 ASN N N 114.566 0.024 1 590 69 64 ASN ND2 N 114.573 0.006 1 591 70 65 SER H H 7.391 0.001 1 592 70 65 SER HA H 5.438 0.005 1 593 70 65 SER HB2 H 4.046 0.003 2 594 70 65 SER HB3 H 3.609 0.001 2 595 70 65 SER C C 178.147 0.003 1 596 70 65 SER CA C 57.526 0.019 1 597 70 65 SER CB C 66.518 0.022 1 598 70 65 SER N N 112.029 0.020 1 599 71 66 LEU H H 9.070 0.001 1 600 71 66 LEU HA H 4.976 0.007 1 601 71 66 LEU HB2 H 1.330 0.006 2 602 71 66 LEU HB3 H 0.934 0.013 2 603 71 66 LEU HG H 1.080 0.004 1 604 71 66 LEU HD1 H -0.023 0.010 2 605 71 66 LEU HD2 H 0.629 0.004 2 606 71 66 LEU C C 175.015 0.002 1 607 71 66 LEU CA C 53.281 0.014 1 608 71 66 LEU CB C 45.540 0.041 1 609 71 66 LEU CG C 26.795 0.032 1 610 71 66 LEU CD1 C 24.178 0.063 2 611 71 66 LEU CD2 C 24.726 0.058 2 612 71 66 LEU N N 119.018 0.021 1 613 72 67 VAL H H 9.132 0.003 1 614 72 67 VAL HA H 4.597 0.006 1 615 72 67 VAL HB H 2.027 0.002 1 616 72 67 VAL HG1 H 0.755 0.004 2 617 72 67 VAL HG2 H 0.914 0.002 2 618 72 67 VAL C C 175.093 0.009 1 619 72 67 VAL CA C 62.151 0.041 1 620 72 67 VAL CB C 32.600 0.010 1 621 72 67 VAL CG1 C 20.834 0.011 2 622 72 67 VAL CG2 C 21.144 0.074 2 623 72 67 VAL N N 122.248 0.020 1 624 73 68 LEU H H 9.034 0.003 1 625 73 68 LEU HA H 4.535 0.006 1 626 73 68 LEU HB2 H 1.471 0.005 2 627 73 68 LEU HB3 H 0.638 0.008 2 628 73 68 LEU HG H 1.262 0.001 1 629 73 68 LEU HD1 H 0.260 0.003 2 630 73 68 LEU HD2 H 0.460 0.004 2 631 73 68 LEU C C 176.384 0.011 1 632 73 68 LEU CA C 53.791 0.021 1 633 73 68 LEU CB C 43.775 0.022 1 634 73 68 LEU CG C 27.503 0.004 1 635 73 68 LEU CD1 C 24.460 0.062 2 636 73 68 LEU CD2 C 25.433 0.034 2 637 73 68 LEU N N 128.625 0.030 1 638 74 69 LYS H H 8.094 0.005 1 639 74 69 LYS HA H 4.808 0.004 1 640 74 69 LYS HB2 H 1.535 0.011 2 641 74 69 LYS HB3 H 1.680 0.006 2 642 74 69 LYS HG2 H 1.107 0.006 2 643 74 69 LYS HG3 H 1.257 0.002 2 644 74 69 LYS HD2 H 1.439 0.005 2 645 74 69 LYS HE2 H 2.737 0.003 2 646 74 69 LYS C C 176.119 0.003 1 647 74 69 LYS CA C 55.111 0.014 1 648 74 69 LYS CB C 34.404 0.080 1 649 74 69 LYS CD C 29.129 0.001 1 650 74 69 LYS CE C 41.902 0.022 1 651 74 69 LYS N N 122.489 0.044 1 652 75 70 PHE H H 9.146 0.003 1 653 75 70 PHE HA H 5.562 0.003 1 654 75 70 PHE HB2 H 2.683 0.004 2 655 75 70 PHE HB3 H 2.558 0.002 2 656 75 70 PHE HD1 H 6.598 0.008 3 657 75 70 PHE HD2 H 6.598 0.008 3 658 75 70 PHE HE1 H 6.918 0.003 3 659 75 70 PHE HE2 H 6.918 0.003 3 660 75 70 PHE HZ H 6.503 0.015 1 661 75 70 PHE C C 173.792 0.010 1 662 75 70 PHE CA C 55.746 0.049 1 663 75 70 PHE CB C 44.474 0.026 1 664 75 70 PHE CD1 C 132.174 0.060 3 665 75 70 PHE CD2 C 132.174 0.060 3 666 75 70 PHE CE1 C 131.911 0.006 3 667 75 70 PHE CE2 C 131.911 0.006 3 668 75 70 PHE CZ C 128.384 0.034 1 669 75 70 PHE N N 122.674 0.025 1 670 76 71 HIS H H 8.969 0.003 1 671 76 71 HIS HA H 5.740 0.006 1 672 76 71 HIS HB2 H 3.154 0.010 2 673 76 71 HIS HB3 H 3.258 0.005 2 674 76 71 HIS HD2 H 6.720 0.001 1 675 76 71 HIS C C 176.162 0.006 1 676 76 71 HIS CA C 56.655 0.043 1 677 76 71 HIS CB C 33.018 0.035 1 678 76 71 HIS CD2 C 119.538 0.001 1 679 76 71 HIS N N 114.149 0.036 1 680 77 72 THR H H 9.017 0.002 1 681 77 72 THR HA H 4.789 0.002 1 682 77 72 THR HB H 4.106 0.003 1 683 77 72 THR HG2 H 0.922 0.003 1 684 77 72 THR C C 177.851 0.013 1 685 77 72 THR CA C 59.923 0.018 1 686 77 72 THR CB C 70.955 0.022 1 687 77 72 THR CG2 C 20.634 0.070 1 688 77 72 THR N N 112.750 0.020 1 689 78 73 VAL H H 9.064 0.003 1 690 78 73 VAL HA H 4.805 0.003 1 691 78 73 VAL HB H 1.999 0.001 1 692 78 73 VAL HG1 H 0.885 0.003 2 693 78 73 VAL HG2 H 0.788 0.002 2 694 78 73 VAL C C 175.183 0.007 1 695 78 73 VAL CA C 61.377 0.016 1 696 78 73 VAL CB C 33.875 0.066 1 697 78 73 VAL CG1 C 22.205 0.067 2 698 78 73 VAL CG2 C 21.095 0.072 2 699 78 73 VAL N N 122.678 0.033 1 700 79 74 ARG H H 8.382 0.001 1 701 79 74 ARG HA H 4.591 0.003 1 702 79 74 ARG HB2 H 1.696 0.003 2 703 79 74 ARG HG2 H 1.469 0.004 2 704 79 74 ARG HG3 H 1.547 0.003 2 705 79 74 ARG HD2 H 3.133 0.004 2 706 79 74 ARG C C 174.496 0.004 1 707 79 74 ARG CA C 55.038 0.010 1 708 79 74 ARG CB C 31.972 0.037 1 709 79 74 ARG CG C 26.990 0.075 1 710 79 74 ARG CD C 43.250 0.059 1 711 79 74 ARG N N 127.672 0.006 1 712 80 75 ASP H H 9.441 0.001 1 713 80 75 ASP HA H 4.211 0.002 1 714 80 75 ASP HB2 H 2.679 0.001 2 715 80 75 ASP HB3 H 2.806 0.001 2 716 80 75 ASP C C 175.428 0.008 1 717 80 75 ASP CA C 56.275 0.010 1 718 80 75 ASP CB C 39.312 0.012 1 719 80 75 ASP N N 127.611 0.011 1 720 81 76 GLU H H 8.373 0.001 1 721 81 76 GLU HA H 3.724 0.002 1 722 81 76 GLU HB2 H 2.183 0.001 2 723 81 76 GLU HG2 H 2.066 0.001 2 724 81 76 GLU C C 175.254 0.020 1 725 81 76 GLU CA C 57.770 0.030 1 726 81 76 GLU CB C 28.234 0.057 1 727 81 76 GLU CG C 36.679 0.058 1 728 81 76 GLU N N 110.300 0.010 1 729 82 77 GLU H H 7.968 0.002 1 730 82 77 GLU HA H 4.569 0.005 1 731 82 77 GLU HB2 H 2.038 0.004 2 732 82 77 GLU HB3 H 1.935 0.005 2 733 82 77 GLU HG2 H 2.251 0.001 2 734 82 77 GLU HG3 H 2.132 0.005 2 735 82 77 GLU C C 174.258 0.008 1 736 82 77 GLU CA C 55.252 0.025 1 737 82 77 GLU CB C 31.911 0.076 1 738 82 77 GLU CG C 35.997 0.009 1 739 82 77 GLU N N 120.357 0.042 1 740 83 78 CYS H H 8.957 0.002 1 741 83 78 CYS HA H 5.349 0.005 1 742 83 78 CYS HB2 H 3.170 0.004 2 743 83 78 CYS HB3 H 2.770 0.003 2 744 83 78 CYS C C 175.737 0.010 1 745 83 78 CYS CA C 56.584 0.013 1 746 83 78 CYS CB C 45.295 0.004 1 747 83 78 CYS N N 124.533 0.050 1 748 84 79 SER H H 8.913 0.003 1 749 84 79 SER HA H 4.787 0.005 1 750 84 79 SER HB2 H 3.767 0.001 2 751 84 79 SER HB3 H 3.636 0.002 2 752 84 79 SER C C 177.501 0.010 1 753 84 79 SER CA C 57.737 0.038 1 754 84 79 SER CB C 65.213 0.012 1 755 84 79 SER N N 118.407 0.018 1 756 85 80 GLU H H 8.661 0.002 1 757 85 80 GLU HA H 4.692 0.004 1 758 85 80 GLU HB2 H 1.935 0.003 2 759 85 80 GLU HG2 H 2.085 0.001 2 760 85 80 GLU HG3 H 2.168 0.001 2 761 85 80 GLU C C 174.737 0.014 1 762 85 80 GLU CA C 56.229 0.036 1 763 85 80 GLU CB C 31.908 0.032 1 764 85 80 GLU CG C 36.449 0.014 1 765 85 80 GLU N N 123.959 0.024 1 766 86 81 LEU H H 8.562 0.003 1 767 86 81 LEU HA H 4.563 0.002 1 768 86 81 LEU HB2 H 1.386 0.001 2 769 86 81 LEU HG H 1.230 0.002 1 770 86 81 LEU HD1 H 0.412 0.003 2 771 86 81 LEU HD2 H 0.639 0.002 2 772 86 81 LEU C C 176.223 0.005 1 773 86 81 LEU CA C 55.263 0.029 1 774 86 81 LEU CB C 45.437 0.063 1 775 86 81 LEU CG C 27.347 0.019 1 776 86 81 LEU CD1 C 25.823 0.032 2 777 86 81 LEU CD2 C 24.772 0.052 2 778 86 81 LEU N N 125.300 0.027 1 779 87 82 SER H H 8.551 0.002 1 780 87 82 SER HA H 5.607 0.004 1 781 87 82 SER HB2 H 3.580 0.002 2 782 87 82 SER C C 176.909 0.023 1 783 87 82 SER CA C 56.829 0.034 1 784 87 82 SER CB C 65.299 0.037 1 785 87 82 SER N N 119.170 0.019 1 786 88 83 MET H H 9.076 0.002 1 787 88 83 MET HA H 4.724 0.001 1 788 88 83 MET HB2 H 1.750 0.005 2 789 88 83 MET HB3 H 1.900 0.001 2 790 88 83 MET HG2 H 1.993 0.008 2 791 88 83 MET HG3 H 2.377 0.009 2 792 88 83 MET C C 177.000 0.004 1 793 88 83 MET CA C 54.708 0.023 1 794 88 83 MET CB C 36.841 0.087 1 795 88 83 MET CG C 32.151 0.029 1 796 88 83 MET N N 121.512 0.011 1 797 89 84 VAL H H 8.543 0.002 1 798 89 84 VAL HA H 4.567 0.004 1 799 89 84 VAL HB H 1.970 0.001 1 800 89 84 VAL HG1 H 0.844 0.002 2 801 89 84 VAL HG2 H 0.903 0.006 2 802 89 84 VAL C C 176.218 0.002 1 803 89 84 VAL CA C 61.855 0.012 1 804 89 84 VAL CB C 32.754 0.015 1 805 89 84 VAL CG1 C 21.405 0.027 2 806 89 84 VAL CG2 C 21.267 0.021 2 807 89 84 VAL N N 122.424 0.029 1 808 90 85 ALA H H 9.447 0.002 1 809 90 85 ALA HA H 5.334 0.001 1 810 90 85 ALA HB H 1.112 0.001 1 811 90 85 ALA C C 174.257 0.004 1 812 90 85 ALA CA C 49.119 0.030 1 813 90 85 ALA CB C 21.259 0.044 1 814 90 85 ALA N N 131.013 0.035 1 815 91 86 ASP H H 8.857 0.001 1 816 91 86 ASP HA H 5.140 0.004 1 817 91 86 ASP HB2 H 2.713 0.001 2 818 91 86 ASP HB3 H 2.451 0.003 2 819 91 86 ASP C C 174.146 0.053 1 820 91 86 ASP CA C 53.985 0.029 1 821 91 86 ASP CB C 44.053 0.009 1 822 91 86 ASP N N 123.363 0.023 1 823 92 87 LYS H H 8.123 0.011 1 824 92 87 LYS HA H 3.914 0.003 1 825 92 87 LYS HB2 H 1.860 0.007 2 826 92 87 LYS HB3 H 1.595 0.012 2 827 92 87 LYS HG2 H 1.221 0.007 2 828 92 87 LYS HG3 H 1.329 0.003 2 829 92 87 LYS HD2 H 1.614 0.005 2 830 92 87 LYS HE2 H 2.965 0.003 2 831 92 87 LYS C C 172.478 0.013 1 832 92 87 LYS CA C 57.822 0.007 1 833 92 87 LYS CB C 33.242 0.053 1 834 92 87 LYS CG C 25.651 0.034 1 835 92 87 LYS CD C 29.532 0.063 1 836 92 87 LYS CE C 42.247 0.022 1 837 92 87 LYS N N 120.861 0.009 1 838 93 88 THR H H 7.835 0.001 1 839 93 88 THR HA H 4.688 0.003 1 840 93 88 THR HB H 4.550 0.008 1 841 93 88 THR HG2 H 1.082 0.003 1 842 93 88 THR C C 175.959 0.003 1 843 93 88 THR CA C 60.175 0.007 1 844 93 88 THR CB C 69.506 0.031 1 845 93 88 THR CG2 C 21.731 0.075 1 846 93 88 THR N N 114.561 0.009 1 847 94 89 GLU H H 8.626 0.003 1 848 94 89 GLU HA H 4.147 0.002 1 849 94 89 GLU HB2 H 2.065 0.002 2 850 94 89 GLU HB3 H 1.902 0.001 2 851 94 89 GLU HG2 H 2.158 0.003 2 852 94 89 GLU HG3 H 2.264 0.003 2 853 94 89 GLU C C 173.838 0.012 1 854 94 89 GLU CA C 57.353 0.018 1 855 94 89 GLU CB C 29.103 0.062 1 856 94 89 GLU CG C 36.424 0.010 1 857 94 89 GLU N N 116.783 0.020 1 858 95 90 LYS H H 7.971 0.002 1 859 95 90 LYS HA H 4.224 0.004 1 860 95 90 LYS HB2 H 1.364 0.003 2 861 95 90 LYS HB3 H 1.496 0.008 2 862 95 90 LYS HG2 H 1.087 0.004 2 863 95 90 LYS HG3 H 1.242 0.003 2 864 95 90 LYS HD2 H 1.527 0.010 2 865 95 90 LYS HE2 H 2.826 0.003 2 866 95 90 LYS C C 174.859 0.012 1 867 95 90 LYS CA C 55.117 0.017 1 868 95 90 LYS CB C 32.859 0.074 1 869 95 90 LYS CG C 24.951 0.058 1 870 95 90 LYS CD C 28.972 0.067 1 871 95 90 LYS CE C 42.069 0.022 1 872 95 90 LYS N N 122.147 0.017 1 873 96 91 ALA H H 8.271 0.002 1 874 96 91 ALA HA H 3.918 0.001 1 875 96 91 ALA HB H 1.270 0.001 1 876 96 91 ALA C C 171.978 0.004 1 877 96 91 ALA CA C 53.429 0.020 1 878 96 91 ALA CB C 17.964 0.004 1 879 96 91 ALA N N 127.802 0.026 1 880 97 92 GLY H H 8.375 0.002 1 881 97 92 GLY HA2 H 3.332 0.001 2 882 97 92 GLY HA3 H 3.600 0.001 2 883 97 92 GLY C C 178.102 0.005 1 884 97 92 GLY CA C 46.366 0.005 1 885 97 92 GLY N N 108.262 0.016 1 886 98 93 GLU H H 7.281 0.001 1 887 98 93 GLU HA H 4.891 0.010 1 888 98 93 GLU HB2 H 1.961 0.003 2 889 98 93 GLU HB3 H 1.160 0.004 2 890 98 93 GLU HG2 H 1.842 0.010 2 891 98 93 GLU HG3 H 1.870 0.012 2 892 98 93 GLU C C 176.281 0.001 1 893 98 93 GLU CA C 54.319 0.023 1 894 98 93 GLU CB C 32.527 0.035 1 895 98 93 GLU CG C 37.865 0.040 1 896 98 93 GLU N N 120.137 0.027 1 897 99 94 TYR H H 8.585 0.003 1 898 99 94 TYR HA H 5.105 0.001 1 899 99 94 TYR HB2 H 2.240 0.001 2 900 99 94 TYR HB3 H 1.322 0.001 2 901 99 94 TYR HD1 H 6.467 0.003 3 902 99 94 TYR HD2 H 6.467 0.003 3 903 99 94 TYR HE1 H 6.335 0.001 3 904 99 94 TYR HE2 H 6.335 0.001 3 905 99 94 TYR C C 176.085 0.062 1 906 99 94 TYR CA C 56.236 0.006 1 907 99 94 TYR CB C 42.387 0.064 1 908 99 94 TYR CD1 C 132.774 0.035 3 909 99 94 TYR CD2 C 132.774 0.035 3 910 99 94 TYR CE1 C 117.110 0.001 3 911 99 94 TYR CE2 C 117.110 0.001 3 912 99 94 TYR N N 125.568 0.014 1 913 100 95 SER H H 9.573 0.002 1 914 100 95 SER HA H 5.582 0.001 1 915 100 95 SER HB2 H 3.502 0.003 2 916 100 95 SER HB3 H 3.895 0.003 2 917 100 95 SER C C 176.739 0.005 1 918 100 95 SER CA C 55.816 0.023 1 919 100 95 SER CB C 67.245 0.022 1 920 100 95 SER N N 114.730 0.025 1 921 101 96 VAL H H 8.592 0.001 1 922 101 96 VAL HA H 4.720 0.002 1 923 101 96 VAL HB H 2.099 0.007 1 924 101 96 VAL HG1 H 0.857 0.004 2 925 101 96 VAL HG2 H 0.913 0.011 2 926 101 96 VAL C C 175.426 0.005 1 927 101 96 VAL CA C 60.719 0.020 1 928 101 96 VAL CB C 35.706 0.065 1 929 101 96 VAL CG1 C 19.644 0.072 2 930 101 96 VAL CG2 C 21.618 0.061 2 931 101 96 VAL N N 117.769 0.013 1 932 102 97 THR H H 9.344 0.001 1 933 102 97 THR HA H 4.793 0.001 1 934 102 97 THR HB H 4.205 0.002 1 935 102 97 THR HG2 H 1.253 0.004 1 936 102 97 THR C C 176.064 0.004 1 937 102 97 THR CA C 63.352 0.041 1 938 102 97 THR CB C 68.665 0.020 1 939 102 97 THR CG2 C 21.346 0.050 1 940 102 97 THR N N 128.595 0.023 1 941 103 98 TYR H H 8.565 0.002 1 942 103 98 TYR HA H 4.163 0.001 1 943 103 98 TYR HB2 H 3.354 0.001 2 944 103 98 TYR HB3 H 2.180 0.001 2 945 103 98 TYR HD1 H 6.625 0.004 3 946 103 98 TYR HD2 H 6.625 0.004 3 947 103 98 TYR HE1 H 5.720 0.007 3 948 103 98 TYR HE2 H 5.720 0.007 3 949 103 98 TYR C C 177.832 0.011 1 950 103 98 TYR CA C 59.992 0.004 1 951 103 98 TYR CB C 38.632 0.035 1 952 103 98 TYR CD1 C 133.415 0.075 3 953 103 98 TYR CD2 C 133.415 0.075 3 954 103 98 TYR CE1 C 116.774 0.043 3 955 103 98 TYR CE2 C 116.774 0.043 3 956 103 98 TYR N N 128.513 0.020 1 957 104 99 ASP H H 8.542 0.003 1 958 104 99 ASP HA H 3.852 0.002 1 959 104 99 ASP HB2 H 2.879 0.014 2 960 104 99 ASP HB3 H 1.129 0.001 2 961 104 99 ASP C C 175.869 0.002 1 962 104 99 ASP CA C 54.520 0.034 1 963 104 99 ASP CB C 39.705 0.001 1 964 104 99 ASP N N 129.818 0.019 1 965 105 100 GLY H H 7.749 0.002 1 966 105 100 GLY HA2 H 3.593 0.001 2 967 105 100 GLY HA3 H 4.667 0.001 2 968 105 100 GLY C C 178.013 0.001 1 969 105 100 GLY CA C 42.624 0.008 1 970 105 100 GLY N N 102.735 0.013 1 971 106 101 PHE H H 8.739 0.002 1 972 106 101 PHE HA H 4.902 0.001 1 973 106 101 PHE HB2 H 3.034 0.001 2 974 106 101 PHE HD1 H 7.239 0.001 3 975 106 101 PHE HD2 H 7.239 0.001 3 976 106 101 PHE C C 175.754 0.007 1 977 106 101 PHE CA C 57.629 0.029 1 978 106 101 PHE CB C 41.310 0.040 1 979 106 101 PHE CD1 C 131.914 0.001 3 980 106 101 PHE CD2 C 131.914 0.001 3 981 106 101 PHE N N 120.339 0.023 1 982 107 102 ASN H H 7.991 0.004 1 983 107 102 ASN HA H 6.182 0.002 1 984 107 102 ASN HB2 H 2.873 0.004 2 985 107 102 ASN HB3 H 2.137 0.003 2 986 107 102 ASN C C 175.369 0.005 1 987 107 102 ASN CA C 51.937 0.025 1 988 107 102 ASN CB C 42.695 0.021 1 989 107 102 ASN N N 122.990 0.040 1 990 108 103 THR H H 8.702 0.001 1 991 108 103 THR HA H 5.278 0.003 1 992 108 103 THR HB H 3.883 0.002 1 993 108 103 THR HG2 H 1.012 0.003 1 994 108 103 THR C C 176.653 0.010 1 995 108 103 THR CA C 60.001 0.012 1 996 108 103 THR CB C 70.982 0.047 1 997 108 103 THR CG2 C 21.836 0.026 1 998 108 103 THR N N 113.434 0.024 1 999 109 104 PHE H H 9.345 0.002 1 1000 109 104 PHE HA H 5.876 0.004 1 1001 109 104 PHE HB2 H 2.923 0.003 2 1002 109 104 PHE HB3 H 2.781 0.004 2 1003 109 104 PHE HD1 H 6.699 0.001 3 1004 109 104 PHE HD2 H 6.699 0.001 3 1005 109 104 PHE HE1 H 6.577 0.007 3 1006 109 104 PHE HE2 H 6.577 0.007 3 1007 109 104 PHE HZ H 6.414 0.005 1 1008 109 104 PHE C C 177.404 0.001 1 1009 109 104 PHE CA C 56.441 0.042 1 1010 109 104 PHE CB C 42.956 0.060 1 1011 109 104 PHE CD1 C 131.485 0.001 3 1012 109 104 PHE CD2 C 131.485 0.001 3 1013 109 104 PHE CE1 C 129.686 0.060 3 1014 109 104 PHE CE2 C 129.686 0.060 3 1015 109 104 PHE CZ C 128.255 0.072 1 1016 109 104 PHE N N 120.104 0.032 1 1017 110 105 THR H H 8.667 0.002 1 1018 110 105 THR HA H 4.769 0.004 1 1019 110 105 THR HB H 3.860 0.005 1 1020 110 105 THR HG2 H 1.088 0.002 1 1021 110 105 THR C C 177.033 0.003 1 1022 110 105 THR CA C 59.279 0.032 1 1023 110 105 THR CB C 73.502 0.019 1 1024 110 105 THR CG2 C 21.330 0.038 1 1025 110 105 THR N N 110.532 0.026 1 1026 111 106 ILE H H 8.130 0.002 1 1027 111 106 ILE HA H 5.221 0.004 1 1028 111 106 ILE HB H 1.561 0.007 1 1029 111 106 ILE HG12 H 1.443 0.001 2 1030 111 106 ILE HG13 H 0.969 0.001 2 1031 111 106 ILE HG2 H 0.897 0.006 1 1032 111 106 ILE HD1 H 0.818 0.005 1 1033 111 106 ILE C C 176.472 0.001 1 1034 111 106 ILE CA C 56.931 0.034 1 1035 111 106 ILE CB C 40.294 0.015 1 1036 111 106 ILE CG2 C 17.211 0.025 1 1037 111 106 ILE CD1 C 13.927 0.018 1 1038 111 106 ILE N N 118.987 0.022 1 1039 112 107 PRO HA H 4.474 0.009 1 1040 112 107 PRO HB2 H 1.752 0.005 2 1041 112 107 PRO HB3 H 2.499 0.005 2 1042 112 107 PRO HG2 H 1.605 0.006 2 1043 112 107 PRO HG3 H 1.878 0.005 2 1044 112 107 PRO HD2 H 4.153 0.013 2 1045 112 107 PRO HD3 H 3.592 0.012 2 1046 112 107 PRO C C 173.343 0.001 1 1047 112 107 PRO CA C 64.179 0.007 1 1048 112 107 PRO CB C 32.619 0.069 1 1049 112 107 PRO CG C 27.370 0.074 1 1050 112 107 PRO CD C 51.134 0.036 1 1051 113 108 LYS H H 6.873 0.001 1 1052 113 108 LYS HA H 4.830 0.003 1 1053 113 108 LYS HB2 H 1.968 0.004 2 1054 113 108 LYS HB3 H 1.872 0.006 2 1055 113 108 LYS HG2 H 1.390 0.005 2 1056 113 108 LYS HG3 H 1.513 0.003 2 1057 113 108 LYS HD2 H 1.693 0.007 2 1058 113 108 LYS HD3 H 1.881 0.006 2 1059 113 108 LYS HE2 H 2.901 0.003 2 1060 113 108 LYS HE3 H 3.015 0.002 2 1061 113 108 LYS C C 176.083 0.001 1 1062 113 108 LYS CA C 56.201 0.036 1 1063 113 108 LYS CB C 37.137 0.072 1 1064 113 108 LYS CG C 25.088 0.033 1 1065 113 108 LYS CD C 28.244 0.069 1 1066 113 108 LYS CE C 41.396 0.031 1 1067 113 108 LYS N N 111.254 0.014 1 1068 114 109 THR H H 8.713 0.002 1 1069 114 109 THR HA H 4.144 0.013 1 1070 114 109 THR HB H 4.125 0.003 1 1071 114 109 THR HG2 H 0.616 0.002 1 1072 114 109 THR C C 180.807 0.005 1 1073 114 109 THR CA C 59.955 0.026 1 1074 114 109 THR CB C 70.118 0.033 1 1075 114 109 THR CG2 C 17.995 0.004 1 1076 114 109 THR N N 118.337 0.020 1 1077 115 110 ASP H H 6.833 0.002 1 1078 115 110 ASP HA H 4.828 0.003 1 1079 115 110 ASP HB2 H 3.099 0.002 2 1080 115 110 ASP HB3 H 2.175 0.002 2 1081 115 110 ASP C C 171.276 0.002 1 1082 115 110 ASP CA C 52.332 0.029 1 1083 115 110 ASP CB C 42.398 0.001 1 1084 115 110 ASP N N 124.626 0.008 1 1085 116 111 TYR H H 8.732 0.002 1 1086 116 111 TYR HA H 3.803 0.001 1 1087 116 111 TYR HB2 H 3.605 0.001 2 1088 116 111 TYR HB3 H 2.896 0.001 2 1089 116 111 TYR HD1 H 6.789 0.001 3 1090 116 111 TYR HD2 H 6.789 0.001 3 1091 116 111 TYR HE1 H 6.418 0.002 3 1092 116 111 TYR HE2 H 6.418 0.002 3 1093 116 111 TYR C C 173.308 0.007 1 1094 116 111 TYR CA C 64.335 0.005 1 1095 116 111 TYR CB C 37.216 0.070 1 1096 116 111 TYR CD1 C 132.973 0.034 3 1097 116 111 TYR CD2 C 132.973 0.034 3 1098 116 111 TYR CE1 C 117.907 0.008 3 1099 116 111 TYR CE2 C 117.907 0.008 3 1100 116 111 TYR N N 115.669 0.029 1 1101 117 112 ASP H H 9.248 0.002 1 1102 117 112 ASP HA H 4.524 0.001 1 1103 117 112 ASP HB2 H 2.757 0.001 2 1104 117 112 ASP HB3 H 2.374 0.001 2 1105 117 112 ASP C C 174.621 0.003 1 1106 117 112 ASP CA C 55.007 0.008 1 1107 117 112 ASP CB C 42.806 0.006 1 1108 117 112 ASP N N 119.574 0.032 1 1109 118 113 ASN H H 8.964 0.002 1 1110 118 113 ASN HA H 5.119 0.001 1 1111 118 113 ASN HB2 H 3.030 0.001 2 1112 118 113 ASN HB3 H 3.552 0.002 2 1113 118 113 ASN HD21 H 8.572 0.002 2 1114 118 113 ASN HD22 H 6.998 0.005 2 1115 118 113 ASN C C 176.177 0.005 1 1116 118 113 ASN CA C 56.574 0.011 1 1117 118 113 ASN CB C 41.934 0.025 1 1118 118 113 ASN N N 116.928 0.013 1 1119 118 113 ASN ND2 N 116.273 0.013 1 1120 119 114 PHE H H 9.793 0.002 1 1121 119 114 PHE HA H 6.545 0.005 1 1122 119 114 PHE HB2 H 3.135 0.005 2 1123 119 114 PHE HB3 H 2.890 0.005 2 1124 119 114 PHE HD1 H 7.043 0.006 3 1125 119 114 PHE HD2 H 7.043 0.006 3 1126 119 114 PHE HE1 H 7.134 0.002 3 1127 119 114 PHE HE2 H 7.134 0.002 3 1128 119 114 PHE C C 176.855 0.001 1 1129 119 114 PHE CA C 56.191 0.025 1 1130 119 114 PHE CB C 45.527 0.069 1 1131 119 114 PHE CD1 C 132.310 0.020 3 1132 119 114 PHE CD2 C 132.310 0.020 3 1133 119 114 PHE CE1 C 130.883 0.001 3 1134 119 114 PHE CE2 C 130.883 0.001 3 1135 119 114 PHE N N 117.749 0.025 1 1136 120 115 LEU H H 9.272 0.002 1 1137 120 115 LEU HA H 4.158 0.008 1 1138 120 115 LEU HB2 H 0.928 0.008 2 1139 120 115 LEU HB3 H 0.556 0.013 2 1140 120 115 LEU HG H 1.144 0.008 1 1141 120 115 LEU HD1 H 0.049 0.003 2 1142 120 115 LEU HD2 H 0.193 0.003 2 1143 120 115 LEU C C 176.781 0.003 1 1144 120 115 LEU CA C 56.805 0.037 1 1145 120 115 LEU CB C 45.008 0.073 1 1146 120 115 LEU CG C 27.200 0.075 1 1147 120 115 LEU CD1 C 24.952 0.036 2 1148 120 115 LEU CD2 C 26.367 0.006 2 1149 120 115 LEU N N 126.184 0.020 1 1150 121 116 MET H H 9.067 0.003 1 1151 121 116 MET HA H 5.865 0.009 1 1152 121 116 MET HB2 H 1.786 0.010 2 1153 121 116 MET HG2 H 2.774 0.009 2 1154 121 116 MET C C 177.050 0.008 1 1155 121 116 MET CA C 54.738 0.034 1 1156 121 116 MET CB C 33.598 0.006 1 1157 121 116 MET CG C 33.960 0.014 1 1158 121 116 MET N N 125.331 0.038 1 1159 122 117 ALA H H 9.297 0.002 1 1160 122 117 ALA HA H 5.330 0.001 1 1161 122 117 ALA HB H 1.190 0.002 1 1162 122 117 ALA C C 175.060 0.001 1 1163 122 117 ALA CA C 50.255 0.015 1 1164 122 117 ALA CB C 22.485 0.004 1 1165 122 117 ALA N N 122.753 0.014 1 1166 123 118 HIS H H 8.548 0.002 1 1167 123 118 HIS HA H 5.385 0.006 1 1168 123 118 HIS HB2 H 3.012 0.004 2 1169 123 118 HIS HB3 H 2.408 0.006 2 1170 123 118 HIS HD2 H 6.704 0.002 1 1171 123 118 HIS C C 178.193 0.001 1 1172 123 118 HIS CA C 54.503 0.016 1 1173 123 118 HIS CB C 34.596 0.068 1 1174 123 118 HIS CD2 C 115.939 0.001 1 1175 123 118 HIS N N 121.425 0.021 1 1176 124 119 LEU H H 9.561 0.002 1 1177 124 119 LEU HA H 5.381 0.008 1 1178 124 119 LEU HB2 H 1.624 0.013 2 1179 124 119 LEU HB3 H 1.317 0.004 2 1180 124 119 LEU HG H 1.309 0.006 1 1181 124 119 LEU HD1 H 0.620 0.005 2 1182 124 119 LEU HD2 H 0.636 0.009 2 1183 124 119 LEU C C 176.683 0.001 1 1184 124 119 LEU CA C 53.619 0.050 1 1185 124 119 LEU CB C 46.231 0.043 1 1186 124 119 LEU CG C 24.828 0.007 1 1187 124 119 LEU CD1 C 25.328 0.040 2 1188 124 119 LEU CD2 C 24.474 0.066 2 1189 124 119 LEU N N 131.709 0.024 1 1190 125 120 ILE H H 8.972 0.003 1 1191 125 120 ILE HA H 4.415 0.008 1 1192 125 120 ILE HB H 1.599 0.003 1 1193 125 120 ILE HG12 H 1.150 0.005 2 1194 125 120 ILE HG13 H 0.808 0.005 2 1195 125 120 ILE HG2 H 0.679 0.006 1 1196 125 120 ILE HD1 H 0.597 0.005 1 1197 125 120 ILE C C 175.536 0.004 1 1198 125 120 ILE CA C 60.328 0.024 1 1199 125 120 ILE CB C 40.029 0.033 1 1200 125 120 ILE CG1 C 27.776 0.080 1 1201 125 120 ILE CG2 C 17.563 0.030 1 1202 125 120 ILE CD1 C 13.389 0.019 1 1203 125 120 ILE N N 125.098 0.038 1 1204 126 121 ASN H H 8.299 0.002 1 1205 126 121 ASN HA H 5.045 0.012 1 1206 126 121 ASN HB2 H 1.066 0.002 2 1207 126 121 ASN HB3 H 1.939 0.002 2 1208 126 121 ASN C C 177.161 0.008 1 1209 126 121 ASN CA C 52.673 0.121 1 1210 126 121 ASN CB C 43.341 0.027 1 1211 126 121 ASN N N 128.495 0.021 1 1212 127 122 GLU H H 8.786 0.004 1 1213 127 122 GLU HA H 5.001 0.003 1 1214 127 122 GLU HB2 H 2.077 0.006 2 1215 127 122 GLU HB3 H 1.872 0.004 2 1216 127 122 GLU HG2 H 2.125 0.005 2 1217 127 122 GLU HG3 H 2.000 0.004 2 1218 127 122 GLU C C 175.209 0.008 1 1219 127 122 GLU CA C 55.008 0.035 1 1220 127 122 GLU CB C 32.843 0.075 1 1221 127 122 GLU CG C 36.431 0.045 1 1222 127 122 GLU N N 124.014 0.037 1 1223 128 123 LYS H H 8.632 0.002 1 1224 128 123 LYS HA H 4.408 0.005 1 1225 128 123 LYS HB2 H 2.025 0.009 2 1226 128 123 LYS HB3 H 1.792 0.003 2 1227 128 123 LYS HG2 H 1.232 0.008 2 1228 128 123 LYS HG3 H 1.083 0.005 2 1229 128 123 LYS HD2 H 1.422 0.003 2 1230 128 123 LYS HD3 H 1.526 0.005 2 1231 128 123 LYS HE2 H 2.779 0.007 2 1232 128 123 LYS HE3 H 2.857 0.006 2 1233 128 123 LYS C C 174.412 0.001 1 1234 128 123 LYS CA C 56.985 0.037 1 1235 128 123 LYS CB C 34.675 0.040 1 1236 128 123 LYS CG C 25.401 0.031 1 1237 128 123 LYS CD C 28.991 0.043 1 1238 128 123 LYS CE C 42.364 0.037 1 1239 128 123 LYS N N 126.235 0.013 1 1240 129 124 ASP H H 9.473 0.001 1 1241 129 124 ASP HA H 4.272 0.002 1 1242 129 124 ASP HB2 H 2.904 0.002 2 1243 129 124 ASP HB3 H 2.607 0.002 2 1244 129 124 ASP C C 174.830 0.005 1 1245 129 124 ASP CA C 55.691 0.017 1 1246 129 124 ASP CB C 39.705 0.013 1 1247 129 124 ASP N N 128.972 0.012 1 1248 130 125 GLY H H 8.785 0.001 1 1249 130 125 GLY HA2 H 3.611 0.001 2 1250 130 125 GLY HA3 H 4.145 0.001 2 1251 130 125 GLY C C 176.377 0.007 1 1252 130 125 GLY CA C 45.522 0.020 1 1253 130 125 GLY N N 104.567 0.013 1 1254 131 126 GLU H H 7.910 0.001 1 1255 131 126 GLU HA H 4.750 0.003 1 1256 131 126 GLU HB2 H 2.080 0.008 2 1257 131 126 GLU HB3 H 2.013 0.010 2 1258 131 126 GLU HG2 H 2.172 0.004 2 1259 131 126 GLU HG3 H 2.290 0.006 2 1260 131 126 GLU C C 173.961 0.003 1 1261 131 126 GLU CA C 54.757 0.036 1 1262 131 126 GLU CB C 32.362 0.059 1 1263 131 126 GLU CG C 36.526 0.035 1 1264 131 126 GLU N N 120.453 0.008 1 1265 132 127 THR H H 8.693 0.001 1 1266 132 127 THR HA H 5.913 0.003 1 1267 132 127 THR HB H 3.945 0.003 1 1268 132 127 THR HG2 H 1.051 0.001 1 1269 132 127 THR C C 176.410 0.008 1 1270 132 127 THR CA C 59.673 0.023 1 1271 132 127 THR CB C 72.187 0.010 1 1272 132 127 THR CG2 C 20.337 0.042 1 1273 132 127 THR N N 117.612 0.013 1 1274 133 128 PHE H H 8.400 0.002 1 1275 133 128 PHE HA H 5.008 0.001 1 1276 133 128 PHE HB2 H 3.432 0.003 2 1277 133 128 PHE HB3 H 2.892 0.002 2 1278 133 128 PHE HD1 H 7.068 0.007 3 1279 133 128 PHE HD2 H 7.068 0.007 3 1280 133 128 PHE HE1 H 6.596 0.008 3 1281 133 128 PHE HE2 H 6.596 0.008 3 1282 133 128 PHE HZ H 5.289 0.006 1 1283 133 128 PHE C C 179.045 0.004 1 1284 133 128 PHE CA C 56.930 0.019 1 1285 133 128 PHE CB C 41.294 0.038 1 1286 133 128 PHE CD1 C 132.714 0.024 3 1287 133 128 PHE CD2 C 132.714 0.024 3 1288 133 128 PHE CE1 C 130.496 0.022 3 1289 133 128 PHE CE2 C 130.496 0.022 3 1290 133 128 PHE CZ C 128.629 0.035 1 1291 133 128 PHE N N 120.658 0.021 1 1292 134 129 GLN H H 9.958 0.002 1 1293 134 129 GLN HA H 5.223 0.010 1 1294 134 129 GLN HB2 H 2.451 0.006 2 1295 134 129 GLN HB3 H 2.208 0.008 2 1296 134 129 GLN HG2 H 1.919 0.006 2 1297 134 129 GLN HG3 H 1.841 0.006 2 1298 134 129 GLN C C 176.278 0.003 1 1299 134 129 GLN CA C 53.706 0.036 1 1300 134 129 GLN CB C 34.603 0.115 1 1301 134 129 GLN CG C 34.494 0.037 1 1302 134 129 GLN N N 118.225 0.021 1 1303 135 130 LEU H H 9.529 0.002 1 1304 135 130 LEU HA H 5.314 0.004 1 1305 135 130 LEU HB2 H 1.741 0.008 2 1306 135 130 LEU HB3 H 1.418 0.007 2 1307 135 130 LEU HG H 1.752 0.002 1 1308 135 130 LEU HD1 H 0.873 0.002 2 1309 135 130 LEU HD2 H 0.994 0.003 2 1310 135 130 LEU C C 175.678 0.005 1 1311 135 130 LEU CA C 53.292 0.010 1 1312 135 130 LEU CB C 46.918 0.046 1 1313 135 130 LEU CG C 27.248 0.007 1 1314 135 130 LEU CD1 C 25.546 0.023 2 1315 135 130 LEU CD2 C 27.156 0.023 2 1316 135 130 LEU N N 125.826 0.039 1 1317 136 131 MET H H 9.402 0.002 1 1318 136 131 MET HA H 5.612 0.010 1 1319 136 131 MET HB2 H 1.653 0.004 2 1320 136 131 MET HB3 H 2.124 0.008 2 1321 136 131 MET HG2 H 2.245 0.003 2 1322 136 131 MET C C 175.717 0.003 1 1323 136 131 MET CA C 53.786 0.050 1 1324 136 131 MET CB C 36.813 0.073 1 1325 136 131 MET CG C 34.014 0.033 1 1326 136 131 MET N N 124.812 0.044 1 1327 137 132 GLY H H 8.924 0.002 1 1328 137 132 GLY HA2 H 5.040 0.001 2 1329 137 132 GLY HA3 H 3.438 0.001 2 1330 137 132 GLY C C 180.193 0.007 1 1331 137 132 GLY CA C 44.335 0.010 1 1332 137 132 GLY N N 108.955 0.024 1 1333 138 133 LEU H H 8.274 0.002 1 1334 138 133 LEU HA H 4.574 0.013 1 1335 138 133 LEU HB2 H 0.829 0.008 2 1336 138 133 LEU HB3 H -0.723 0.007 2 1337 138 133 LEU HG H 0.975 0.002 1 1338 138 133 LEU HD1 H 0.699 0.007 2 1339 138 133 LEU HD2 H 0.410 0.005 2 1340 138 133 LEU C C 177.170 0.012 1 1341 138 133 LEU CA C 52.553 0.012 1 1342 138 133 LEU CB C 42.312 0.052 1 1343 138 133 LEU CG C 27.151 0.020 1 1344 138 133 LEU CD1 C 23.780 0.016 2 1345 138 133 LEU CD2 C 26.299 0.037 2 1346 138 133 LEU N N 124.131 0.018 1 1347 139 134 TYR H H 9.364 0.004 1 1348 139 134 TYR HA H 5.639 0.001 1 1349 139 134 TYR HB2 H 2.386 0.004 2 1350 139 134 TYR HB3 H 2.964 0.001 2 1351 139 134 TYR HD1 H 6.740 0.004 3 1352 139 134 TYR HD2 H 6.740 0.004 3 1353 139 134 TYR HE1 H 6.561 0.003 3 1354 139 134 TYR HE2 H 6.561 0.003 3 1355 139 134 TYR C C 175.352 0.001 1 1356 139 134 TYR CA C 55.894 0.024 1 1357 139 134 TYR CB C 40.602 0.073 1 1358 139 134 TYR CD1 C 134.058 0.012 3 1359 139 134 TYR CD2 C 134.058 0.012 3 1360 139 134 TYR CE1 C 116.865 0.096 3 1361 139 134 TYR CE2 C 116.865 0.096 3 1362 139 134 TYR N N 126.458 0.016 1 1363 140 135 GLY H H 9.564 0.002 1 1364 140 135 GLY HA2 H 4.213 0.001 2 1365 140 135 GLY HA3 H 3.929 0.001 2 1366 140 135 GLY C C 175.551 0.016 1 1367 140 135 GLY CA C 43.964 0.040 1 1368 140 135 GLY N N 108.224 0.036 1 1369 141 136 ARG H H 8.319 0.002 1 1370 141 136 ARG HA H 3.829 0.008 1 1371 141 136 ARG HB2 H 1.922 0.005 2 1372 141 136 ARG HB3 H 1.724 0.006 2 1373 141 136 ARG HG2 H 1.165 0.006 2 1374 141 136 ARG HD2 H 3.148 0.001 2 1375 141 136 ARG HD3 H 3.048 0.003 2 1376 141 136 ARG C C 172.958 0.003 1 1377 141 136 ARG CA C 56.420 0.032 1 1378 141 136 ARG CB C 30.774 0.054 1 1379 141 136 ARG CG C 25.355 0.010 1 1380 141 136 ARG CD C 43.109 0.012 1 1381 141 136 ARG N N 121.894 0.037 1 1382 142 137 GLU H H 8.349 0.002 1 1383 142 137 GLU HA H 4.508 0.005 1 1384 142 137 GLU HB2 H 2.167 0.013 2 1385 142 137 GLU HB3 H 1.943 0.003 2 1386 142 137 GLU HG2 H 2.173 0.003 2 1387 142 137 GLU HG3 H 2.310 0.004 2 1388 142 137 GLU C C 176.344 0.001 1 1389 142 137 GLU CA C 53.508 0.033 1 1390 142 137 GLU CB C 30.544 0.057 1 1391 142 137 GLU CG C 36.272 0.017 1 1392 142 137 GLU N N 118.495 0.028 1 1393 143 138 PRO HA H 3.613 0.005 1 1394 143 138 PRO HB2 H 1.813 0.003 2 1395 143 138 PRO HB3 H 1.701 0.004 2 1396 143 138 PRO HG2 H 1.705 0.003 2 1397 143 138 PRO HG3 H 1.136 0.004 2 1398 143 138 PRO HD2 H 3.462 0.005 2 1399 143 138 PRO HD3 H 3.124 0.003 2 1400 143 138 PRO C C 175.982 0.001 1 1401 143 138 PRO CA C 63.485 0.009 1 1402 143 138 PRO CB C 31.191 0.046 1 1403 143 138 PRO CG C 26.962 0.054 1 1404 143 138 PRO CD C 50.076 0.046 1 1405 144 139 ASP H H 7.127 0.001 1 1406 144 139 ASP HA H 4.828 0.001 1 1407 144 139 ASP HB2 H 2.342 0.005 2 1408 144 139 ASP HB3 H 2.523 0.004 2 1409 144 139 ASP C C 175.813 0.012 1 1410 144 139 ASP CA C 52.253 0.025 1 1411 144 139 ASP CB C 43.662 0.015 1 1412 144 139 ASP N N 114.018 0.016 1 1413 145 140 LEU H H 8.420 0.002 1 1414 145 140 LEU HA H 4.754 0.003 1 1415 145 140 LEU HB2 H 1.539 0.006 2 1416 145 140 LEU HB3 H 1.190 0.008 2 1417 145 140 LEU HG H 1.523 0.004 1 1418 145 140 LEU HD1 H 1.247 0.001 2 1419 145 140 LEU HD2 H 0.837 0.002 2 1420 145 140 LEU C C 174.835 0.003 1 1421 145 140 LEU CA C 52.715 0.064 1 1422 145 140 LEU CB C 49.165 0.042 1 1423 145 140 LEU CG C 26.797 0.066 1 1424 145 140 LEU CD1 C 24.278 0.003 2 1425 145 140 LEU CD2 C 27.809 0.043 2 1426 145 140 LEU N N 119.251 0.007 1 1427 146 141 SER H H 8.138 0.001 1 1428 146 141 SER HA H 4.232 0.009 1 1429 146 141 SER HB2 H 3.933 0.007 2 1430 146 141 SER HB3 H 4.209 0.001 2 1431 146 141 SER C C 174.852 0.001 1 1432 146 141 SER CA C 58.129 0.012 1 1433 146 141 SER CB C 64.253 0.020 1 1434 146 141 SER N N 114.303 0.005 1 1435 147 142 SER H H 8.938 0.001 1 1436 147 142 SER HA H 3.886 0.001 1 1437 147 142 SER HB2 H 3.918 0.001 2 1438 147 142 SER C C 174.077 0.001 1 1439 147 142 SER CA C 61.823 0.061 1 1440 147 142 SER CB C 62.494 0.054 1 1441 147 142 SER N N 117.880 0.017 1 1442 148 143 ASP H H 8.503 0.005 1 1443 148 143 ASP HA H 4.281 0.001 1 1444 148 143 ASP HB2 H 2.502 0.001 2 1445 148 143 ASP HB3 H 2.589 0.001 2 1446 148 143 ASP C C 171.799 0.007 1 1447 148 143 ASP CA C 56.962 0.019 1 1448 148 143 ASP CB C 39.826 0.030 1 1449 148 143 ASP N N 120.661 0.022 1 1450 149 144 ILE H H 7.338 0.001 1 1451 149 144 ILE HA H 3.339 0.003 1 1452 149 144 ILE HB H 1.704 0.004 1 1453 149 144 ILE HG12 H 1.364 0.004 2 1454 149 144 ILE HG13 H 0.752 0.007 2 1455 149 144 ILE HG2 H 0.353 0.003 1 1456 149 144 ILE HD1 H 0.681 0.005 1 1457 149 144 ILE C C 172.557 0.002 1 1458 149 144 ILE CA C 63.953 0.020 1 1459 149 144 ILE CB C 36.893 0.075 1 1460 149 144 ILE CG1 C 28.773 0.061 1 1461 149 144 ILE CG2 C 18.496 0.009 1 1462 149 144 ILE CD1 C 12.940 0.020 1 1463 149 144 ILE N N 121.580 0.012 1 1464 150 145 LYS H H 7.514 0.002 1 1465 150 145 LYS HA H 3.586 0.006 1 1466 150 145 LYS HB2 H 1.707 0.002 2 1467 150 145 LYS HB3 H 1.905 0.001 2 1468 150 145 LYS HG2 H 0.662 0.004 2 1469 150 145 LYS HD2 H 1.507 0.001 2 1470 150 145 LYS C C 171.426 0.005 1 1471 150 145 LYS CA C 61.189 0.020 1 1472 150 145 LYS CB C 31.642 0.068 1 1473 150 145 LYS CG C 26.874 0.021 1 1474 150 145 LYS N N 119.131 0.043 1 1475 151 146 GLU H H 8.159 0.002 1 1476 151 146 GLU HA H 4.285 0.005 1 1477 151 146 GLU HB2 H 1.906 0.005 2 1478 151 146 GLU HB3 H 2.062 0.004 2 1479 151 146 GLU HG2 H 2.134 0.010 2 1480 151 146 GLU HG3 H 2.334 0.004 2 1481 151 146 GLU C C 171.961 0.007 1 1482 151 146 GLU CA C 58.402 0.025 1 1483 151 146 GLU CB C 28.357 0.093 1 1484 151 146 GLU CG C 34.994 0.010 1 1485 151 146 GLU N N 120.618 0.023 1 1486 152 147 ARG H H 7.733 0.001 1 1487 152 147 ARG HA H 3.924 0.005 1 1488 152 147 ARG HB2 H 1.699 0.004 2 1489 152 147 ARG HG2 H 1.817 0.006 2 1490 152 147 ARG HG3 H 1.480 0.009 2 1491 152 147 ARG HD2 H 2.817 0.006 2 1492 152 147 ARG HD3 H 3.074 0.008 2 1493 152 147 ARG C C 170.518 0.004 1 1494 152 147 ARG CA C 59.551 0.032 1 1495 152 147 ARG CB C 30.048 0.082 1 1496 152 147 ARG CG C 27.465 0.120 1 1497 152 147 ARG CD C 43.826 0.021 1 1498 152 147 ARG N N 120.585 0.009 1 1499 153 148 PHE H H 8.349 0.002 1 1500 153 148 PHE HA H 4.158 0.006 1 1501 153 148 PHE HB2 H 2.929 0.005 2 1502 153 148 PHE HB3 H 3.256 0.001 2 1503 153 148 PHE C C 174.017 0.009 1 1504 153 148 PHE CA C 61.215 0.030 1 1505 153 148 PHE CB C 39.561 0.007 1 1506 153 148 PHE N N 120.102 0.057 1 1507 154 149 ALA H H 8.167 0.002 1 1508 154 149 ALA HA H 3.684 0.001 1 1509 154 149 ALA HB H 1.407 0.001 1 1510 154 149 ALA C C 170.912 0.008 1 1511 154 149 ALA CA C 55.916 0.023 1 1512 154 149 ALA CB C 17.428 0.030 1 1513 154 149 ALA N N 124.035 0.008 1 1514 155 150 GLN H H 7.939 0.001 1 1515 155 150 GLN HA H 3.963 0.003 1 1516 155 150 GLN HB2 H 2.019 0.004 2 1517 155 150 GLN HG2 H 2.253 0.004 2 1518 155 150 GLN HG3 H 2.501 0.005 2 1519 155 150 GLN HE21 H 7.949 0.002 2 1520 155 150 GLN HE22 H 6.664 0.003 2 1521 155 150 GLN C C 171.808 0.008 1 1522 155 150 GLN CA C 58.859 0.008 1 1523 155 150 GLN CB C 27.786 0.046 1 1524 155 150 GLN CG C 33.738 0.060 1 1525 155 150 GLN N N 116.545 0.008 1 1526 155 150 GLN NE2 N 112.205 0.005 1 1527 156 151 LEU H H 7.486 0.001 1 1528 156 151 LEU HA H 4.083 0.003 1 1529 156 151 LEU HB2 H 1.446 0.009 2 1530 156 151 LEU HB3 H 1.825 0.005 2 1531 156 151 LEU HG H 1.388 0.003 1 1532 156 151 LEU HD1 H 0.903 0.004 2 1533 156 151 LEU HD2 H 0.792 0.004 2 1534 156 151 LEU C C 170.636 0.001 1 1535 156 151 LEU CA C 57.803 0.018 1 1536 156 151 LEU CB C 41.438 0.052 1 1537 156 151 LEU CG C 27.334 0.018 1 1538 156 151 LEU CD1 C 23.991 0.048 2 1539 156 151 LEU CD2 C 26.518 0.041 2 1540 156 151 LEU N N 122.582 0.015 1 1541 157 152 CYS H H 7.960 0.002 1 1542 157 152 CYS HA H 3.751 0.005 1 1543 157 152 CYS HB2 H 3.055 0.001 2 1544 157 152 CYS HB3 H 2.141 0.006 2 1545 157 152 CYS C C 172.551 0.008 1 1546 157 152 CYS CA C 64.499 0.029 1 1547 157 152 CYS CB C 25.642 0.025 1 1548 157 152 CYS N N 118.453 0.016 1 1549 158 153 GLU H H 7.981 0.002 1 1550 158 153 GLU HA H 3.936 0.001 1 1551 158 153 GLU HB2 H 2.134 0.008 2 1552 158 153 GLU HB3 H 1.947 0.002 2 1553 158 153 GLU HG2 H 2.143 0.012 2 1554 158 153 GLU HG3 H 2.376 0.004 2 1555 158 153 GLU C C 169.347 0.004 1 1556 158 153 GLU CA C 59.913 0.025 1 1557 158 153 GLU CB C 29.437 0.111 1 1558 158 153 GLU CG C 37.049 0.053 1 1559 158 153 GLU N N 121.306 0.014 1 1560 159 154 GLU H H 7.958 0.002 1 1561 159 154 GLU HA H 3.905 0.002 1 1562 159 154 GLU HB2 H 2.100 0.002 2 1563 159 154 GLU HB3 H 1.900 0.003 2 1564 159 154 GLU HG2 H 1.995 0.003 2 1565 159 154 GLU HG3 H 2.292 0.004 2 1566 159 154 GLU C C 172.754 0.006 1 1567 159 154 GLU CA C 58.848 0.012 1 1568 159 154 GLU CB C 29.202 0.047 1 1569 159 154 GLU CG C 36.334 0.040 1 1570 159 154 GLU N N 121.058 0.019 1 1571 160 155 HIS H H 7.399 0.002 1 1572 160 155 HIS HA H 4.395 0.001 1 1573 160 155 HIS HB2 H 3.631 0.002 2 1574 160 155 HIS HB3 H 2.614 0.004 2 1575 160 155 HIS HD2 H 6.908 0.008 1 1576 160 155 HIS C C 176.337 0.003 1 1577 160 155 HIS CA C 56.686 0.079 1 1578 160 155 HIS CB C 28.853 0.028 1 1579 160 155 HIS CD2 C 122.746 0.001 1 1580 160 155 HIS N N 115.468 0.012 1 1581 161 156 GLY H H 7.758 0.002 1 1582 161 156 GLY HA2 H 4.076 0.001 2 1583 161 156 GLY HA3 H 3.639 0.001 2 1584 161 156 GLY C C 176.247 0.022 1 1585 161 156 GLY CA C 45.729 0.028 1 1586 161 156 GLY N N 106.844 0.013 1 1587 162 157 ILE H H 7.863 0.003 1 1588 162 157 ILE HA H 3.883 0.002 1 1589 162 157 ILE HB H 1.248 0.005 1 1590 162 157 ILE HG12 H 1.363 0.001 2 1591 162 157 ILE HG13 H 0.525 0.001 2 1592 162 157 ILE HG2 H 0.563 0.002 1 1593 162 157 ILE HD1 H 0.530 0.002 1 1594 162 157 ILE C C 176.533 0.007 1 1595 162 157 ILE CA C 60.837 0.020 1 1596 162 157 ILE CB C 38.042 0.053 1 1597 162 157 ILE CG1 C 27.650 0.020 1 1598 162 157 ILE CG2 C 17.483 0.004 1 1599 162 157 ILE CD1 C 13.649 0.012 1 1600 162 157 ILE N N 122.960 0.021 1 1601 163 158 LEU H H 7.986 0.001 1 1602 163 158 LEU HA H 4.203 0.002 1 1603 163 158 LEU HB2 H 1.728 0.012 2 1604 163 158 LEU HB3 H 1.491 0.004 2 1605 163 158 LEU HG H 1.761 0.005 1 1606 163 158 LEU HD1 H 0.879 0.001 2 1607 163 158 LEU HD2 H 0.825 0.003 2 1608 163 158 LEU C C 171.373 0.002 1 1609 163 158 LEU CA C 54.518 0.015 1 1610 163 158 LEU CB C 42.434 0.067 1 1611 163 158 LEU CG C 27.144 0.037 1 1612 163 158 LEU CD1 C 25.272 0.047 2 1613 163 158 LEU CD2 C 22.345 0.058 2 1614 163 158 LEU N N 124.903 0.020 1 1615 164 159 ARG H H 8.636 0.001 1 1616 164 159 ARG HA H 3.813 0.004 1 1617 164 159 ARG HB2 H 1.741 0.004 2 1618 164 159 ARG HB3 H 1.518 0.002 2 1619 164 159 ARG HG2 H 1.746 0.002 2 1620 164 159 ARG HD2 H 3.149 0.002 2 1621 164 159 ARG HD3 H 3.057 0.002 2 1622 164 159 ARG C C 171.619 0.009 1 1623 164 159 ARG CA C 59.445 0.021 1 1624 164 159 ARG CB C 29.103 0.015 1 1625 164 159 ARG CG C 29.262 0.018 1 1626 164 159 ARG CD C 43.115 0.005 1 1627 164 159 ARG N N 119.745 0.022 1 1628 165 160 GLU H H 8.712 0.001 1 1629 165 160 GLU HA H 4.206 0.004 1 1630 165 160 GLU HB2 H 2.000 0.004 2 1631 165 160 GLU HB3 H 1.909 0.001 2 1632 165 160 GLU HG2 H 2.166 0.001 2 1633 165 160 GLU C C 174.232 0.012 1 1634 165 160 GLU CA C 58.160 0.018 1 1635 165 160 GLU CB C 28.661 0.019 1 1636 165 160 GLU CG C 36.017 0.001 1 1637 165 160 GLU N N 116.551 0.006 1 1638 166 161 ASN H H 8.158 0.004 1 1639 166 161 ASN HA H 4.618 0.006 1 1640 166 161 ASN HB2 H 2.739 0.002 2 1641 166 161 ASN HB3 H 3.948 0.002 2 1642 166 161 ASN HD21 H 7.202 0.006 2 1643 166 161 ASN HD22 H 6.840 0.001 2 1644 166 161 ASN C C 178.385 0.001 1 1645 166 161 ASN CA C 52.598 0.029 1 1646 166 161 ASN CB C 38.069 0.017 1 1647 166 161 ASN N N 109.120 0.023 1 1648 167 162 ILE H H 7.034 0.001 1 1649 167 162 ILE HA H 4.216 0.002 1 1650 167 162 ILE HB H 1.932 0.003 1 1651 167 162 ILE HG12 H 1.792 0.011 2 1652 167 162 ILE HG2 H 0.846 0.003 1 1653 167 162 ILE HD1 H 0.787 0.003 1 1654 167 162 ILE C C 174.438 0.001 1 1655 167 162 ILE CA C 61.980 0.018 1 1656 167 162 ILE CB C 38.413 0.065 1 1657 167 162 ILE CG1 C 26.408 0.044 1 1658 167 162 ILE CG2 C 18.189 0.024 1 1659 167 162 ILE CD1 C 14.442 0.022 1 1660 167 162 ILE N N 118.141 0.013 1 1661 168 163 ILE H H 9.366 0.008 1 1662 168 163 ILE HA H 4.224 0.006 1 1663 168 163 ILE HB H 1.704 0.003 1 1664 168 163 ILE HG12 H 0.871 0.008 2 1665 168 163 ILE HG13 H 1.433 0.010 2 1666 168 163 ILE HG2 H 0.750 0.004 1 1667 168 163 ILE HD1 H 0.636 0.003 1 1668 168 163 ILE C C 176.728 0.001 1 1669 168 163 ILE CA C 61.400 0.036 1 1670 168 163 ILE CB C 40.192 0.074 1 1671 168 163 ILE CG1 C 26.555 0.031 1 1672 168 163 ILE CG2 C 17.215 0.017 1 1673 168 163 ILE CD1 C 13.611 0.032 1 1674 168 163 ILE N N 128.620 0.048 1 1675 169 164 ASP H H 8.682 0.002 1 1676 169 164 ASP HA H 4.756 0.007 1 1677 169 164 ASP HB2 H 2.955 0.001 2 1678 169 164 ASP HB3 H 2.400 0.001 2 1679 169 164 ASP C C 173.625 0.006 1 1680 169 164 ASP CA C 54.508 0.053 1 1681 169 164 ASP CB C 40.578 0.043 1 1682 169 164 ASP N N 127.229 0.018 1 1683 170 165 LEU H H 8.924 0.002 1 1684 170 165 LEU HA H 4.577 0.004 1 1685 170 165 LEU HB2 H 1.132 0.010 2 1686 170 165 LEU HB3 H 1.907 0.005 2 1687 170 165 LEU HG H 1.593 0.002 1 1688 170 165 LEU HD1 H 0.630 0.004 2 1689 170 165 LEU HD2 H 0.830 0.001 2 1690 170 165 LEU C C 172.947 0.030 1 1691 170 165 LEU CA C 54.335 0.031 1 1692 170 165 LEU CB C 42.713 0.066 1 1693 170 165 LEU CG C 26.350 0.035 1 1694 170 165 LEU CD1 C 26.517 0.060 2 1695 170 165 LEU CD2 C 23.341 0.021 2 1696 170 165 LEU N N 130.352 0.020 1 1697 171 166 SER H H 8.972 0.003 1 1698 171 166 SER HA H 4.117 0.005 1 1699 171 166 SER HB2 H 3.953 0.012 2 1700 171 166 SER C C 175.405 0.001 1 1701 171 166 SER CA C 61.890 0.004 1 1702 171 166 SER CB C 63.306 0.034 1 1703 171 166 SER N N 118.711 0.032 1 1704 172 167 ASN H H 8.393 0.004 1 1705 172 167 ASN HA H 4.840 0.003 1 1706 172 167 ASN HB2 H 2.805 0.005 2 1707 172 167 ASN HB3 H 2.684 0.004 2 1708 172 167 ASN HD21 H 7.456 0.001 2 1709 172 167 ASN HD22 H 6.753 0.001 1 1710 172 167 ASN C C 175.184 0.008 1 1711 172 167 ASN CA C 53.004 0.031 1 1712 172 167 ASN CB C 38.726 0.022 1 1713 172 167 ASN N N 117.464 0.050 1 1714 172 167 ASN ND2 N 112.880 0.007 1 1715 173 168 ALA H H 7.772 0.002 1 1716 173 168 ALA HA H 4.543 0.006 1 1717 173 168 ALA HB H 1.395 0.001 1 1718 173 168 ALA C C 173.565 0.002 1 1719 173 168 ALA CA C 51.539 0.023 1 1720 173 168 ALA CB C 20.228 0.028 1 1721 173 168 ALA N N 122.446 0.007 1 1722 174 169 ASN H H 8.042 0.004 1 1723 174 169 ASN HA H 4.229 0.004 1 1724 174 169 ASN HB2 H 2.988 0.007 2 1725 174 169 ASN CA C 53.024 0.001 1 1726 174 169 ASN CB C 37.715 0.004 1 1727 174 169 ASN N N 117.114 0.031 1 1728 176 171 CYS HA H 4.257 0.001 1 1729 176 171 CYS HB2 H 2.779 0.009 2 1730 176 171 CYS HB3 H 2.611 0.008 2 1731 176 171 CYS C C 175.760 0.001 1 1732 176 171 CYS CA C 55.632 0.035 1 1733 176 171 CYS CB C 41.083 0.026 1 1734 177 172 LEU H H 7.927 0.004 1 1735 177 172 LEU HA H 4.093 0.005 1 1736 177 172 LEU HB2 H 1.504 0.001 2 1737 177 172 LEU HB3 H 1.567 0.005 2 1738 177 172 LEU HG H 1.502 0.012 1 1739 177 172 LEU HD1 H 0.826 0.004 2 1740 177 172 LEU HD2 H 0.880 0.003 2 1741 177 172 LEU C C 172.945 0.015 1 1742 177 172 LEU CA C 55.858 0.026 1 1743 177 172 LEU CB C 42.051 0.015 1 1744 177 172 LEU CG C 27.046 0.072 1 1745 177 172 LEU CD1 C 23.606 0.039 2 1746 177 172 LEU CD2 C 24.760 0.052 2 1747 177 172 LEU N N 122.061 0.046 1 1748 178 173 GLN H H 8.358 0.003 1 1749 178 173 GLN HA H 4.210 0.003 1 1750 178 173 GLN HB2 H 1.907 0.002 2 1751 178 173 GLN HB3 H 2.007 0.002 2 1752 178 173 GLN HG2 H 2.287 0.003 2 1753 178 173 GLN HE21 H 7.480 0.001 2 1754 178 173 GLN HE22 H 6.787 0.001 2 1755 178 173 GLN C C 174.959 0.006 1 1756 178 173 GLN CA C 55.804 0.019 1 1757 178 173 GLN CB C 28.985 0.021 1 1758 178 173 GLN CG C 33.610 0.062 1 1759 178 173 GLN N N 120.565 0.049 1 1760 178 173 GLN NE2 N 112.401 0.004 1 1761 179 174 ALA H H 8.124 0.002 1 1762 179 174 ALA HA H 4.247 0.004 1 1763 179 174 ALA HB H 1.250 0.001 1 1764 179 174 ALA C C 173.092 0.008 1 1765 179 174 ALA CA C 52.247 0.019 1 1766 179 174 ALA CB C 19.123 0.035 1 1767 179 174 ALA N N 125.317 0.011 1 1768 180 175 ARG H H 8.065 0.003 1 1769 180 175 ARG HA H 4.283 0.004 1 1770 180 175 ARG HB2 H 1.867 0.004 2 1771 180 175 ARG HB3 H 1.689 0.008 2 1772 180 175 ARG HG2 H 1.563 0.009 2 1773 180 175 ARG HG3 H 1.876 0.002 2 1774 180 175 ARG HD2 H 3.153 0.002 2 1775 180 175 ARG C C 174.969 0.004 1 1776 180 175 ARG CA C 56.006 0.033 1 1777 180 175 ARG CB C 31.095 0.046 1 1778 180 175 ARG CG C 27.226 0.049 1 1779 180 175 ARG CD C 43.430 0.001 1 1780 180 175 ARG N N 120.686 0.014 1 1781 181 176 GLU H H 7.978 0.001 1 1782 181 176 GLU HA H 4.031 0.001 1 1783 181 176 GLU HB2 H 1.959 0.002 2 1784 181 176 GLU HB3 H 1.820 0.002 2 1785 181 176 GLU HG2 H 2.131 0.001 2 1786 181 176 GLU C C 169.359 0.001 1 1787 181 176 GLU CA C 58.040 0.021 1 1788 181 176 GLU CB C 31.286 0.111 1 1789 181 176 GLU CG C 36.677 0.048 1 1790 181 176 GLU N N 126.968 0.008 1 stop_ save_