data_15623 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Ca2+-bound CaBP1 ; _BMRB_accession_number 15623 _BMRB_flat_file_name bmr15623.str _Entry_type original _Submission_date 2008-01-09 _Accession_date 2008-01-09 _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 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 706 "13C chemical shifts" 588 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-15 update BMRB 'added related PDB ID' 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 update BMRB 'complete entry citation' 2008-03-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, and 13C chemical shift assignments of calcium-bound calcium-binding protein 1 (CaBP1)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Congmin . . 2 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 61 _Page_last 63 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CaBP1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CaBP1 $CaBP1 'CALCIUM ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CaBP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CaBP1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MGNCVKYPLRNLSRKDRSLR PEEIEELREAFREFDKDKDG YINCRDLGNCMRTMGYMPTE MELIELSQQINMNLGGHVDF DDFVELMGPKLLAETADMIG VKELRDAFREFDTNGDGEIS TSELREAMRKLLGHQVGHRD IEEIIRDVDLNGDGRVDFEE FVRMMSR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ASN 4 CYS 5 VAL 6 LYS 7 TYR 8 PRO 9 LEU 10 ARG 11 ASN 12 LEU 13 SER 14 ARG 15 LYS 16 ASP 17 ARG 18 SER 19 LEU 20 ARG 21 PRO 22 GLU 23 GLU 24 ILE 25 GLU 26 GLU 27 LEU 28 ARG 29 GLU 30 ALA 31 PHE 32 ARG 33 GLU 34 PHE 35 ASP 36 LYS 37 ASP 38 LYS 39 ASP 40 GLY 41 TYR 42 ILE 43 ASN 44 CYS 45 ARG 46 ASP 47 LEU 48 GLY 49 ASN 50 CYS 51 MET 52 ARG 53 THR 54 MET 55 GLY 56 TYR 57 MET 58 PRO 59 THR 60 GLU 61 MET 62 GLU 63 LEU 64 ILE 65 GLU 66 LEU 67 SER 68 GLN 69 GLN 70 ILE 71 ASN 72 MET 73 ASN 74 LEU 75 GLY 76 GLY 77 HIS 78 VAL 79 ASP 80 PHE 81 ASP 82 ASP 83 PHE 84 VAL 85 GLU 86 LEU 87 MET 88 GLY 89 PRO 90 LYS 91 LEU 92 LEU 93 ALA 94 GLU 95 THR 96 ALA 97 ASP 98 MET 99 ILE 100 GLY 101 VAL 102 LYS 103 GLU 104 LEU 105 ARG 106 ASP 107 ALA 108 PHE 109 ARG 110 GLU 111 PHE 112 ASP 113 THR 114 ASN 115 GLY 116 ASP 117 GLY 118 GLU 119 ILE 120 SER 121 THR 122 SER 123 GLU 124 LEU 125 ARG 126 GLU 127 ALA 128 MET 129 ARG 130 LYS 131 LEU 132 LEU 133 GLY 134 HIS 135 GLN 136 VAL 137 GLY 138 HIS 139 ARG 140 ASP 141 ILE 142 GLU 143 GLU 144 ILE 145 ILE 146 ARG 147 ASP 148 VAL 149 ASP 150 LEU 151 ASN 152 GLY 153 ASP 154 GLY 155 ARG 156 VAL 157 ASP 158 PHE 159 GLU 160 GLU 161 PHE 162 VAL 163 ARG 164 MET 165 MET 166 SER 167 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 15197 CaBP1 100.00 167 100.00 100.00 1.73e-115 BMRB 16862 CaBP1 100.00 167 100.00 100.00 1.73e-115 BMRB 17532 CaBP1 100.00 167 100.00 100.00 1.73e-115 PDB 2LAN "Nmr Structure Of Ca2+-Bound Cabp1 N-Domain With Rdc" 100.00 167 100.00 100.00 1.73e-115 PDB 2LAP "Nmr Structure Of Ca2+-Bound Cabp1 C-Domain With Rdc" 100.00 167 100.00 100.00 1.73e-115 PDB 3OX5 "Crystal Structure Of The Calcium Sensor Calcium-Binding Protein 1 (Cabp1)" 91.02 153 100.00 100.00 6.67e-103 PDB 3OX6 "Crystal Structure Of The Calcium Sensor Calcium-Binding Protein 1 (Cabp1)" 91.02 153 99.34 99.34 3.75e-102 DBJ BAE24603 "unnamed protein product [Mus musculus]" 92.22 212 98.70 99.35 1.69e-102 EMBL CAC43037 "Caldendrin, isoform S1 [Rattus norvegicus]" 100.00 167 99.40 99.40 1.91e-114 EMBL CAD20347 "caldendrin [Rattus norvegicus]" 91.62 298 99.35 100.00 3.57e-103 GB AAF25782 "s-CaBP1 [Homo sapiens]" 100.00 167 100.00 100.00 1.73e-115 GB AAF25784 "S-CaBP1 [Bos taurus]" 100.00 167 99.40 99.40 1.91e-114 GB AAF25787 "S-CaBP1 [Mus musculus]" 100.00 167 99.40 99.40 1.91e-114 GB AAH30201 "Calcium binding protein 1 [Homo sapiens]" 91.62 370 99.35 100.00 2.00e-104 GB ABM86439 "calcium binding protein 1 (calbrain) [synthetic construct]" 92.22 304 98.70 99.35 1.03e-102 REF NP_001028847 "calcium-binding protein 1 isoform 2 [Rattus norvegicus]" 100.00 167 99.40 99.40 1.91e-114 REF NP_001028848 "calcium-binding protein 1 isoform 3 [Rattus norvegicus]" 91.62 350 99.35 100.00 1.76e-103 REF NP_001028849 "calcium-binding protein 1 isoform 3 [Homo sapiens]" 91.62 370 99.35 100.00 1.75e-104 REF NP_001297641 "calcium-binding protein 1 isoform 1 [Mus musculus]" 91.62 350 99.35 100.00 1.78e-103 REF NP_001297644 "calcium-binding protein 1 isoform 3 [Mus musculus]" 100.00 167 99.40 99.40 1.91e-114 SP O88751 "RecName: Full=Calcium-binding protein 1; Short=CaBP1; AltName: Full=Caldendrin" 91.62 298 99.35 100.00 3.57e-103 SP Q9NZU7 "RecName: Full=Calcium-binding protein 1; Short=CaBP1; AltName: Full=Calbrain; AltName: Full=Caldendrin" 91.62 370 99.35 100.00 1.75e-104 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CaBP1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $CaBP1 'recombinant technology' . Escherichia coli . pET15b 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 $CaBP1 0.5 mM '[U-99% 13C; U-99% 15N]' $CA 0.5 mM . 'potassium chloride' 0.05 M . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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 $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.4 . 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 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 '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CaBP1 _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 12 12 LEU H H 8.310 0.04 1 2 12 12 LEU HA H 4.360 0.04 1 3 12 12 LEU HB2 H 1.630 0.04 2 4 12 12 LEU HD1 H 0.840 0.04 2 5 12 12 LEU HD2 H 0.890 0.04 2 6 12 12 LEU CA C 55.730 0.20 1 7 12 12 LEU CB C 42.390 0.20 1 8 12 12 LEU CD1 C 23.440 0.20 1 9 12 12 LEU CD2 C 25.310 0.20 1 10 12 12 LEU CG C 26.720 0.20 1 11 12 12 LEU N N 122.760 0.20 1 12 13 13 SER H H 8.250 0.04 1 13 13 13 SER HA H 4.430 0.04 1 14 13 13 SER HB2 H 3.870 0.04 2 15 13 13 SER C C 174.730 0.20 1 16 13 13 SER CA C 58.650 0.20 1 17 13 13 SER CB C 64.050 0.20 1 18 13 13 SER N N 115.720 0.20 1 19 14 14 ARG H H 8.230 0.04 1 20 14 14 ARG HA H 4.060 0.04 1 21 14 14 ARG HB2 H 2.020 0.04 2 22 14 14 ARG CA C 56.420 0.20 1 23 14 14 ARG CB C 32.650 0.20 1 24 14 14 ARG N N 122.750 0.20 1 25 15 15 LYS HA H 4.290 0.04 1 26 15 15 LYS HB2 H 1.760 0.04 2 27 15 15 LYS HD2 H 1.680 0.04 2 28 15 15 LYS HE2 H 3.010 0.04 2 29 15 15 LYS HG2 H 1.420 0.04 2 30 15 15 LYS C C 176.150 0.20 1 31 15 15 LYS CA C 56.420 0.20 1 32 15 15 LYS CB C 32.920 0.20 1 33 15 15 LYS CD C 29.020 0.20 1 34 15 15 LYS CE C 42.250 0.20 1 35 15 15 LYS CG C 24.810 0.20 1 36 16 16 ASP H H 8.280 0.04 1 37 16 16 ASP HA H 4.600 0.04 1 38 16 16 ASP HB2 H 2.650 0.04 2 39 16 16 ASP C C 175.640 0.20 1 40 16 16 ASP CA C 54.380 0.20 1 41 16 16 ASP CB C 41.250 0.20 1 42 16 16 ASP N N 120.420 0.20 1 43 17 17 ARG H H 8.010 0.04 1 44 17 17 ARG HA H 4.410 0.04 1 45 17 17 ARG HB2 H 1.880 0.04 2 46 17 17 ARG HB3 H 1.760 0.04 2 47 17 17 ARG HD2 H 3.118 0.04 2 48 17 17 ARG HG2 H 1.537 0.04 2 49 17 17 ARG C C 174.890 0.20 1 50 17 17 ARG CA C 55.420 0.20 1 51 17 17 ARG CB C 30.810 0.20 1 52 17 17 ARG CD C 43.580 0.20 1 53 17 17 ARG CG C 26.650 0.20 1 54 17 17 ARG N N 119.420 0.20 1 55 18 18 SER H H 8.140 0.04 1 56 18 18 SER HA H 4.530 0.04 1 57 18 18 SER HB2 H 3.810 0.04 2 58 18 18 SER C C 174.670 0.20 1 59 18 18 SER CA C 57.750 0.20 1 60 18 18 SER CB C 64.500 0.20 1 61 18 18 SER N N 115.440 0.20 1 62 19 19 LEU H H 8.510 0.04 1 63 19 19 LEU HA H 4.330 0.04 1 64 19 19 LEU HB2 H 1.640 0.04 2 65 19 19 LEU HB3 H 1.400 0.04 2 66 19 19 LEU HD1 H 0.760 0.04 2 67 19 19 LEU HD2 H 0.740 0.04 2 68 19 19 LEU HG H 1.700 0.04 1 69 19 19 LEU C C 177.540 0.20 1 70 19 19 LEU CA C 55.200 0.20 1 71 19 19 LEU CB C 42.380 0.20 1 72 19 19 LEU CD1 C 23.550 0.20 1 73 19 19 LEU CD2 C 26.460 0.20 1 74 19 19 LEU CG C 26.640 0.20 1 75 19 19 LEU N N 123.510 0.20 1 76 20 20 ARG H H 9.670 0.04 1 77 20 20 ARG HA H 4.580 0.04 1 78 20 20 ARG CA C 54.920 0.20 1 79 20 20 ARG CB C 29.790 0.20 1 80 20 20 ARG N N 123.720 0.20 1 81 21 21 PRO HA H 4.230 0.04 1 82 21 21 PRO HB2 H 2.020 0.04 2 83 21 21 PRO HB3 H 2.450 0.04 2 84 21 21 PRO C C 179.260 0.20 1 85 21 21 PRO CA C 66.400 0.20 1 86 21 21 PRO CB C 31.800 0.20 1 87 21 21 PRO CG C 27.230 0.20 1 88 22 22 GLU H H 10.030 0.04 1 89 22 22 GLU HA H 4.200 0.04 1 90 22 22 GLU HB2 H 2.050 0.04 2 91 22 22 GLU HG2 H 2.410 0.04 2 92 22 22 GLU C C 179.560 0.20 1 93 22 22 GLU CA C 59.950 0.20 1 94 22 22 GLU CB C 28.110 0.20 1 95 22 22 GLU CG C 36.300 0.20 1 96 22 22 GLU N N 116.660 0.20 1 97 23 23 GLU H H 7.410 0.04 1 98 23 23 GLU HA H 4.250 0.04 1 99 23 23 GLU HB2 H 2.630 0.04 2 100 23 23 GLU HG2 H 2.320 0.04 2 101 23 23 GLU C C 178.760 0.20 1 102 23 23 GLU CA C 58.790 0.20 1 103 23 23 GLU CB C 30.310 0.20 1 104 23 23 GLU CG C 37.840 0.20 1 105 23 23 GLU N N 120.780 0.20 1 106 24 24 ILE H H 7.800 0.04 1 107 24 24 ILE HA H 3.780 0.04 1 108 24 24 ILE HB H 2.170 0.04 1 109 24 24 ILE HD1 H 0.820 0.04 1 110 24 24 ILE HG12 H 1.620 0.04 1 111 24 24 ILE HG13 H 1.140 0.04 1 112 24 24 ILE HG2 H 1.090 0.04 1 113 24 24 ILE C C 178.370 0.20 1 114 24 24 ILE CA C 64.590 0.20 1 115 24 24 ILE CB C 36.990 0.20 1 116 24 24 ILE CD1 C 12.050 0.20 1 117 24 24 ILE CG1 C 28.970 0.20 1 118 24 24 ILE CG2 C 17.500 0.20 1 119 24 24 ILE N N 119.960 0.20 1 120 25 25 GLU H H 8.110 0.04 1 121 25 25 GLU HA H 4.170 0.04 1 122 25 25 GLU HB2 H 2.400 0.04 2 123 25 25 GLU HG2 H 2.400 0.04 2 124 25 25 GLU CA C 59.100 0.20 1 125 25 25 GLU CB C 28.850 0.20 1 126 25 25 GLU CG C 35.680 0.20 1 127 25 25 GLU N N 118.260 0.20 1 128 26 26 GLU H H 7.620 0.04 1 129 26 26 GLU HA H 4.190 0.04 1 130 26 26 GLU HB2 H 2.310 0.04 2 131 26 26 GLU HG2 H 2.560 0.04 2 132 26 26 GLU C C 180.280 0.20 1 133 26 26 GLU CA C 60.130 0.20 1 134 26 26 GLU CB C 29.390 0.20 1 135 26 26 GLU CG C 36.500 0.20 1 136 26 26 GLU N N 120.330 0.20 1 137 27 27 LEU H H 8.120 0.04 1 138 27 27 LEU HA H 4.450 0.04 1 139 27 27 LEU HB2 H 2.540 0.04 2 140 27 27 LEU HB3 H 1.700 0.04 2 141 27 27 LEU HD1 H 0.750 0.04 2 142 27 27 LEU HD2 H 0.770 0.04 2 143 27 27 LEU HG H 1.990 0.04 1 144 27 27 LEU C C 178.730 0.20 1 145 27 27 LEU CA C 58.480 0.20 1 146 27 27 LEU CB C 41.510 0.20 1 147 27 27 LEU CD1 C 24.150 0.20 1 148 27 27 LEU CD2 C 27.070 0.20 1 149 27 27 LEU CG C 27.400 0.20 1 150 27 27 LEU N N 120.410 0.20 1 151 28 28 ARG H H 8.970 0.04 1 152 28 28 ARG HA H 3.740 0.04 1 153 28 28 ARG HB2 H 1.800 0.04 2 154 28 28 ARG HD2 H 2.870 0.04 2 155 28 28 ARG HG2 H 0.990 0.04 2 156 28 28 ARG HG3 H 1.130 0.04 2 157 28 28 ARG C C 178.750 0.20 1 158 28 28 ARG CA C 60.220 0.20 1 159 28 28 ARG CB C 29.820 0.20 1 160 28 28 ARG CD C 42.740 0.20 1 161 28 28 ARG CG C 27.050 0.20 1 162 28 28 ARG N N 122.090 0.20 1 163 29 29 GLU H H 8.150 0.04 1 164 29 29 GLU HA H 4.060 0.04 1 165 29 29 GLU HB2 H 2.160 0.04 2 166 29 29 GLU HG2 H 2.415 0.04 2 167 29 29 GLU C C 179.060 0.20 1 168 29 29 GLU CA C 59.110 0.20 1 169 29 29 GLU CB C 29.590 0.20 1 170 29 29 GLU CG C 36.200 0.20 1 171 29 29 GLU N N 118.950 0.20 1 172 30 30 ALA H H 7.800 0.04 1 173 30 30 ALA HA H 4.330 0.04 1 174 30 30 ALA HB H 1.750 0.04 1 175 30 30 ALA C C 178.770 0.20 1 176 30 30 ALA CA C 55.340 0.20 1 177 30 30 ALA CB C 18.410 0.20 1 178 30 30 ALA N N 122.650 0.20 1 179 31 31 PHE H H 8.640 0.04 1 180 31 31 PHE HA H 3.590 0.04 1 181 31 31 PHE HB2 H 3.190 0.04 2 182 31 31 PHE HB3 H 2.910 0.04 2 183 31 31 PHE HD1 H 6.534 0.04 3 184 31 31 PHE HE1 H 6.925 0.04 3 185 31 31 PHE HZ H 7.381 0.04 1 186 31 31 PHE C C 177.510 0.20 1 187 31 31 PHE CA C 62.350 0.20 1 188 31 31 PHE CB C 40.280 0.20 1 189 31 31 PHE N N 118.770 0.20 1 190 32 32 ARG H H 8.480 0.04 1 191 32 32 ARG HA H 3.970 0.04 1 192 32 32 ARG HB2 H 1.920 0.04 2 193 32 32 ARG HG2 H 1.880 0.04 2 194 32 32 ARG HG3 H 1.720 0.04 2 195 32 32 ARG C C 178.900 0.20 1 196 32 32 ARG CA C 59.270 0.20 1 197 32 32 ARG CB C 30.440 0.20 1 198 32 32 ARG CG C 27.740 0.20 1 199 32 32 ARG N N 116.110 0.20 1 200 33 33 GLU H H 7.620 0.04 1 201 33 33 GLU HA H 3.860 0.04 1 202 33 33 GLU HB2 H 2.050 0.04 2 203 33 33 GLU HG2 H 1.940 0.04 2 204 33 33 GLU C C 177.290 0.20 1 205 33 33 GLU CA C 58.690 0.20 1 206 33 33 GLU CB C 28.960 0.20 1 207 33 33 GLU CG C 35.600 0.20 1 208 33 33 GLU N N 118.220 0.20 1 209 34 34 PHE H H 7.340 0.04 1 210 34 34 PHE HA H 4.210 0.04 1 211 34 34 PHE HB2 H 2.610 0.04 2 212 34 34 PHE HB3 H 2.940 0.04 2 213 34 34 PHE HD1 H 7.550 0.04 3 214 34 34 PHE HE1 H 7.450 0.04 3 215 34 34 PHE HZ H 7.256 0.04 1 216 34 34 PHE C C 176.270 0.20 1 217 34 34 PHE CA C 60.310 0.20 1 218 34 34 PHE CB C 39.970 0.20 1 219 34 34 PHE N N 114.030 0.20 1 220 35 35 ASP H H 7.860 0.04 1 221 35 35 ASP HA H 5.340 0.04 1 222 35 35 ASP HB2 H 2.580 0.04 2 223 35 35 ASP HB3 H 1.740 0.04 2 224 35 35 ASP C C 179.170 0.20 1 225 35 35 ASP CA C 52.470 0.20 1 226 35 35 ASP CB C 38.620 0.20 1 227 35 35 ASP N N 122.490 0.20 1 228 36 36 LYS H H 7.910 0.04 1 229 36 36 LYS HA H 3.940 0.04 1 230 36 36 LYS HB2 H 1.830 0.04 2 231 36 36 LYS C C 177.250 0.20 1 232 36 36 LYS CA C 59.270 0.20 1 233 36 36 LYS CB C 32.260 0.20 1 234 36 36 LYS N N 123.540 0.20 1 235 37 37 ASP H H 7.940 0.04 1 236 37 37 ASP HA H 4.460 0.04 1 237 37 37 ASP HB2 H 3.060 0.04 2 238 37 37 ASP C C 175.570 0.20 1 239 37 37 ASP CA C 52.860 0.20 1 240 37 37 ASP CB C 38.760 0.20 1 241 37 37 ASP N N 114.440 0.20 1 242 38 38 LYS H H 7.760 0.04 1 243 38 38 LYS HA H 3.870 0.04 1 244 38 38 LYS HB2 H 1.960 0.04 2 245 38 38 LYS HD2 H 1.770 0.04 2 246 38 38 LYS HE2 H 2.990 0.04 2 247 38 38 LYS HG2 H 1.380 0.04 2 248 38 38 LYS C C 175.630 0.20 1 249 38 38 LYS CA C 57.360 0.20 1 250 38 38 LYS CB C 29.350 0.20 1 251 38 38 LYS CE C 41.140 0.20 1 252 38 38 LYS CG C 25.090 0.20 1 253 38 38 LYS N N 114.840 0.20 1 254 39 39 ASP H H 8.430 0.04 1 255 39 39 ASP HA H 4.700 0.04 1 256 39 39 ASP HB2 H 1.730 0.04 2 257 39 39 ASP HB3 H 2.580 0.04 2 258 39 39 ASP C C 177.060 0.20 1 259 39 39 ASP CA C 53.080 0.20 1 260 39 39 ASP CB C 41.090 0.02 1 261 39 39 ASP N N 117.400 0.20 1 262 40 40 GLY H H 10.380 0.04 1 263 40 40 GLY HA2 H 4.110 0.04 2 264 40 40 GLY HA3 H 3.520 0.04 2 265 40 40 GLY C C 173.300 0.20 1 266 40 40 GLY CA C 45.000 0.20 1 267 40 40 GLY N N 112.610 0.20 1 268 41 41 TYR H H 8.200 0.04 1 269 41 41 TYR HA H 5.660 0.04 1 270 41 41 TYR HB2 H 2.650 0.04 2 271 41 41 TYR HB3 H 2.830 0.04 2 272 41 41 TYR HD1 H 6.660 0.04 3 273 41 41 TYR HE1 H 6.800 0.04 3 274 41 41 TYR CA C 56.680 0.20 1 275 41 41 TYR CB C 42.830 0.20 1 276 41 41 TYR CD1 C 133.130 0.20 3 277 41 41 TYR CE1 C 117.910 0.20 3 278 41 41 TYR N N 116.110 0.20 1 279 42 42 ILE H H 9.370 0.04 1 280 42 42 ILE HA H 4.990 0.04 1 281 42 42 ILE HB H 1.940 0.04 1 282 42 42 ILE HD1 H 0.330 0.04 1 283 42 42 ILE HG12 H 1.250 0.04 1 284 42 42 ILE HG13 H 0.960 0.04 1 285 42 42 ILE HG2 H 0.290 0.04 1 286 42 42 ILE C C 174.590 0.20 1 287 42 42 ILE CA C 59.880 0.20 1 288 42 42 ILE CB C 40.990 0.20 1 289 42 42 ILE CD1 C 13.740 0.20 1 290 42 42 ILE CG1 C 25.070 0.20 1 291 42 42 ILE CG2 C 15.900 0.20 1 292 42 42 ILE N N 119.020 0.20 1 293 43 43 ASN H H 8.740 0.04 1 294 43 43 ASN HA H 5.060 0.04 1 295 43 43 ASN HB2 H 3.280 0.04 2 296 43 43 ASN HB3 H 2.900 0.04 2 297 43 43 ASN C C 175.780 0.20 1 298 43 43 ASN CA C 51.590 0.20 1 299 43 43 ASN CB C 39.680 0.20 1 300 43 43 ASN N N 120.240 0.20 1 301 44 44 CYS H H 8.560 0.04 1 302 44 44 CYS HA H 3.930 0.04 1 303 44 44 CYS HB2 H 2.980 0.04 2 304 44 44 CYS HB3 H 2.880 0.04 2 305 44 44 CYS C C 176.430 0.20 1 306 44 44 CYS CA C 62.630 0.20 1 307 44 44 CYS CB C 26.850 0.20 1 308 44 44 CYS N N 117.540 0.20 1 309 45 45 ARG H H 8.350 0.04 1 310 45 45 ARG HA H 4.120 0.04 1 311 45 45 ARG HB2 H 1.900 0.04 2 312 45 45 ARG HD2 H 3.200 0.04 2 313 45 45 ARG HG2 H 1.630 0.04 2 314 45 45 ARG C C 177.770 0.20 1 315 45 45 ARG CA C 58.840 0.20 1 316 45 45 ARG CB C 30.000 0.20 1 317 45 45 ARG CD C 43.710 0.20 1 318 45 45 ARG CG C 27.250 0.20 1 319 45 45 ARG N N 120.970 0.20 1 320 46 46 ASP H H 7.650 0.04 1 321 46 46 ASP HA H 4.650 0.04 1 322 46 46 ASP HB2 H 2.620 0.04 2 323 46 46 ASP HB3 H 2.800 0.04 2 324 46 46 ASP C C 177.420 0.20 1 325 46 46 ASP CA C 56.410 0.20 1 326 46 46 ASP CB C 41.520 0.20 1 327 46 46 ASP N N 117.700 0.20 1 328 47 47 LEU H H 8.170 0.04 1 329 47 47 LEU HA H 3.810 0.04 1 330 47 47 LEU HB2 H 1.960 0.04 2 331 47 47 LEU HB3 H 1.580 0.04 2 332 47 47 LEU HD1 H 0.920 0.04 2 333 47 47 LEU HD2 H 1.040 0.04 2 334 47 47 LEU HG H 1.700 0.04 1 335 47 47 LEU C C 178.570 0.20 1 336 47 47 LEU CA C 58.770 0.20 1 337 47 47 LEU CB C 41.730 0.20 1 338 47 47 LEU CD1 C 26.440 0.20 1 339 47 47 LEU CD2 C 24.810 0.20 1 340 47 47 LEU CG C 29.100 0.20 1 341 47 47 LEU N N 121.260 0.20 1 342 48 48 GLY H H 8.340 0.04 1 343 48 48 GLY HA2 H 3.650 0.04 2 344 48 48 GLY HA3 H 3.900 0.04 2 345 48 48 GLY C C 175.510 0.20 1 346 48 48 GLY CA C 47.450 0.20 1 347 48 48 GLY N N 106.090 0.20 1 348 49 49 ASN H H 7.790 0.04 1 349 49 49 ASN HA H 4.490 0.04 1 350 49 49 ASN HB2 H 2.740 0.04 2 351 49 49 ASN C C 177.490 0.20 1 352 49 49 ASN CA C 55.860 0.20 1 353 49 49 ASN CB C 37.810 0.20 1 354 49 49 ASN N N 119.380 0.20 1 355 50 50 CYS H H 8.300 0.04 1 356 50 50 CYS HA H 3.450 0.04 1 357 50 50 CYS HB2 H 2.670 0.04 2 358 50 50 CYS HB3 H 2.210 0.04 2 359 50 50 CYS C C 176.850 0.20 1 360 50 50 CYS CA C 62.850 0.20 1 361 50 50 CYS CB C 26.310 0.20 1 362 50 50 CYS N N 123.470 0.20 1 363 51 51 MET H H 8.480 0.04 1 364 51 51 MET HA H 3.940 0.04 1 365 51 51 MET HB2 H 2.290 0.04 2 366 51 51 MET HB3 H 2.560 0.04 2 367 51 51 MET HE H 1.720 0.04 1 368 51 51 MET HG2 H 2.950 0.04 2 369 51 51 MET C C 178.080 0.20 1 370 51 51 MET CA C 60.910 0.20 1 371 51 51 MET CB C 32.850 0.20 1 372 51 51 MET CE C 16.730 0.20 1 373 51 51 MET CG C 33.460 0.20 1 374 51 51 MET N N 117.960 0.20 1 375 52 52 ARG H H 7.920 0.04 1 376 52 52 ARG HA H 4.400 0.04 1 377 52 52 ARG HB2 H 1.970 0.04 2 378 52 52 ARG HD2 H 3.220 0.04 2 379 52 52 ARG C C 181.040 0.20 1 380 52 52 ARG CA C 59.740 0.20 1 381 52 52 ARG CB C 30.320 0.20 1 382 52 52 ARG CD C 43.470 0.20 1 383 52 52 ARG CG C 28.850 0.20 1 384 52 52 ARG N N 117.800 0.20 1 385 53 53 THR H H 8.160 0.04 1 386 53 53 THR HA H 4.180 0.04 1 387 53 53 THR HB H 4.540 0.04 1 388 53 53 THR HG2 H 1.550 0.04 1 389 53 53 THR C C 175.580 0.20 1 390 53 53 THR CA C 66.360 0.20 1 391 53 53 THR CB C 69.370 0.20 1 392 53 53 THR CG2 C 21.750 0.20 1 393 53 53 THR N N 116.940 0.20 1 394 54 54 MET H H 7.640 0.04 1 395 54 54 MET HA H 4.580 0.04 1 396 54 54 MET HB2 H 2.400 0.04 2 397 54 54 MET HB3 H 2.250 0.04 2 398 54 54 MET HG2 H 2.800 0.04 2 399 54 54 MET C C 175.650 0.20 1 400 54 54 MET CA C 55.920 0.20 1 401 54 54 MET CB C 33.240 0.20 1 402 54 54 MET CG C 32.440 0.20 1 403 54 54 MET N N 118.140 0.20 1 404 55 55 GLY H H 7.760 0.04 1 405 55 55 GLY HA2 H 4.240 0.04 2 406 55 55 GLY HA3 H 3.630 0.04 2 407 55 55 GLY C C 173.320 0.20 1 408 55 55 GLY CA C 45.290 0.20 1 409 55 55 GLY N N 105.410 0.20 1 410 56 56 TYR H H 7.900 0.04 1 411 56 56 TYR HA H 4.560 0.04 1 412 56 56 TYR HB2 H 2.590 0.04 2 413 56 56 TYR HB3 H 2.840 0.04 2 414 56 56 TYR HD1 H 6.980 0.04 3 415 56 56 TYR HE1 H 6.750 0.04 3 416 56 56 TYR C C 173.560 0.20 1 417 56 56 TYR CA C 57.170 0.20 1 418 56 56 TYR CB C 39.580 0.20 1 419 56 56 TYR CD1 C 132.820 0.20 3 420 56 56 TYR CE1 C 117.920 0.20 3 421 56 56 TYR N N 121.710 0.20 1 422 57 57 MET H H 8.080 0.04 1 423 57 57 MET HA H 4.820 0.04 1 424 57 57 MET HB2 H 1.910 0.04 2 425 57 57 MET CA C 51.770 0.20 1 426 57 57 MET CB C 31.640 0.20 1 427 57 57 MET N N 122.690 0.20 1 428 58 58 PRO HA H 4.690 0.04 1 429 58 58 PRO HB2 H 1.940 0.04 2 430 58 58 PRO HB3 H 2.180 0.04 2 431 58 58 PRO HG2 H 0.970 0.04 2 432 58 58 PRO C C 177.710 0.20 1 433 58 58 PRO CA C 62.080 0.20 1 434 58 58 PRO CB C 31.900 0.20 1 435 58 58 PRO CG C 27.150 0.20 1 436 59 59 THR H H 8.660 0.04 1 437 59 59 THR HA H 4.470 0.04 1 438 59 59 THR HB H 4.730 0.04 1 439 59 59 THR HG2 H 1.380 0.04 1 440 59 59 THR C C 175.130 0.20 1 441 59 59 THR CA C 60.670 0.20 1 442 59 59 THR CB C 71.100 0.20 1 443 59 59 THR CG2 C 22.030 0.20 1 444 59 59 THR N N 113.110 0.20 1 445 60 60 GLU H H 8.870 0.04 1 446 60 60 GLU HA H 4.000 0.04 1 447 60 60 GLU HB2 H 2.090 0.04 2 448 60 60 GLU HB3 H 2.380 0.04 2 449 60 60 GLU HG2 H 2.380 0.04 2 450 60 60 GLU C C 179.480 0.20 1 451 60 60 GLU CA C 60.390 0.20 1 452 60 60 GLU CB C 29.450 0.20 1 453 60 60 GLU CG C 36.520 0.20 1 454 60 60 GLU N N 121.010 0.20 1 455 61 61 MET H H 8.430 0.04 1 456 61 61 MET HA H 4.270 0.04 1 457 61 61 MET HB2 H 2.060 0.04 2 458 61 61 MET HG2 H 2.650 0.04 2 459 61 61 MET C C 178.520 0.20 1 460 61 61 MET CA C 58.400 0.20 1 461 61 61 MET CB C 31.830 0.20 1 462 61 61 MET CG C 32.390 0.20 1 463 61 61 MET N N 116.600 0.20 1 464 62 62 GLU H H 7.890 0.04 1 465 62 62 GLU HA H 4.070 0.04 1 466 62 62 GLU HB2 H 2.270 0.04 2 467 62 62 GLU HB3 H 2.000 0.04 2 468 62 62 GLU HG2 H 2.220 0.04 2 469 62 62 GLU C C 179.420 0.20 1 470 62 62 GLU CA C 58.970 0.20 1 471 62 62 GLU CB C 30.040 0.20 1 472 62 62 GLU CG C 36.730 0.20 1 473 62 62 GLU N N 121.060 0.20 1 474 63 63 LEU H H 8.010 0.04 1 475 63 63 LEU HA H 4.120 0.04 1 476 63 63 LEU HB2 H 1.610 0.04 2 477 63 63 LEU HB3 H 1.880 0.04 2 478 63 63 LEU HD1 H 0.830 0.04 2 479 63 63 LEU HD2 H 0.860 0.04 2 480 63 63 LEU C C 180.070 0.20 1 481 63 63 LEU CA C 57.960 0.20 1 482 63 63 LEU CB C 41.300 0.20 1 483 63 63 LEU CD1 C 22.930 0.20 1 484 63 63 LEU CD2 C 25.130 0.20 1 485 63 63 LEU N N 119.240 0.20 1 486 64 64 ILE H H 8.170 0.04 1 487 64 64 ILE HA H 3.750 0.04 1 488 64 64 ILE HB H 2.030 0.04 1 489 64 64 ILE HD1 H 0.870 0.04 1 490 64 64 ILE HG12 H 1.780 0.04 1 491 64 64 ILE HG13 H 1.150 0.04 1 492 64 64 ILE HG2 H 0.910 0.04 1 493 64 64 ILE C C 178.860 0.20 1 494 64 64 ILE CA C 65.620 0.20 1 495 64 64 ILE CB C 38.050 0.20 1 496 64 64 ILE CD1 C 13.080 0.20 1 497 64 64 ILE CG1 C 29.320 0.20 1 498 64 64 ILE CG2 C 16.810 0.20 1 499 64 64 ILE N N 123.500 0.20 1 500 65 65 GLU H H 8.010 0.04 1 501 65 65 GLU HA H 4.070 0.04 1 502 65 65 GLU HB2 H 2.120 0.04 2 503 65 65 GLU HG2 H 2.370 0.04 2 504 65 65 GLU C C 179.580 0.20 1 505 65 65 GLU CA C 59.850 0.20 1 506 65 65 GLU CB C 29.420 0.20 1 507 65 65 GLU CG C 36.570 0.20 1 508 65 65 GLU N N 121.060 0.20 1 509 66 66 LEU H H 8.440 0.04 1 510 66 66 LEU HA H 4.130 0.04 1 511 66 66 LEU HB2 H 1.540 0.04 2 512 66 66 LEU HB3 H 1.840 0.04 2 513 66 66 LEU HD1 H 0.860 0.04 2 514 66 66 LEU HG H 1.630 0.04 1 515 66 66 LEU C C 178.730 0.20 1 516 66 66 LEU CA C 58.240 0.20 1 517 66 66 LEU CB C 42.520 0.20 1 518 66 66 LEU CD1 C 24.660 0.20 1 519 66 66 LEU CG C 27.170 0.20 1 520 66 66 LEU N N 120.420 0.20 1 521 67 67 SER H H 8.270 0.04 1 522 67 67 SER HA H 4.190 0.04 1 523 67 67 SER HB2 H 3.930 0.04 2 524 67 67 SER C C 176.240 0.20 1 525 67 67 SER CA C 61.710 0.20 1 526 67 67 SER CB C 62.360 0.20 1 527 67 67 SER N N 114.230 0.20 1 528 68 68 GLN H H 7.950 0.04 1 529 68 68 GLN HA H 4.150 0.04 1 530 68 68 GLN HB2 H 2.230 0.04 2 531 68 68 GLN HB3 H 2.530 0.04 2 532 68 68 GLN HG2 H 2.560 0.04 2 533 68 68 GLN HG3 H 2.440 0.04 2 534 68 68 GLN C C 178.340 0.20 1 535 68 68 GLN CA C 58.960 0.20 1 536 68 68 GLN CB C 28.120 0.20 1 537 68 68 GLN CG C 33.780 0.20 1 538 68 68 GLN N N 120.680 0.20 1 539 69 69 GLN H H 7.900 0.04 1 540 69 69 GLN HA H 4.120 0.04 1 541 69 69 GLN HB2 H 2.240 0.04 2 542 69 69 GLN HG2 H 2.470 0.04 2 543 69 69 GLN C C 178.760 0.20 1 544 69 69 GLN CA C 58.870 0.20 1 545 69 69 GLN CB C 28.500 0.20 1 546 69 69 GLN CG C 33.460 0.20 1 547 69 69 GLN N N 119.110 0.20 1 548 70 70 ILE H H 8.630 0.04 1 549 70 70 ILE HA H 3.730 0.04 1 550 70 70 ILE HB H 1.860 0.04 1 551 70 70 ILE HD1 H 0.740 0.04 1 552 70 70 ILE HG12 H 1.750 0.04 1 553 70 70 ILE HG13 H 1.000 0.04 1 554 70 70 ILE HG2 H 0.900 0.04 1 555 70 70 ILE C C 179.280 0.20 1 556 70 70 ILE CA C 64.640 0.20 1 557 70 70 ILE CB C 38.040 0.20 1 558 70 70 ILE CD1 C 14.580 0.20 1 559 70 70 ILE CG1 C 29.230 0.20 1 560 70 70 ILE CG2 C 17.600 0.20 1 561 70 70 ILE N N 119.820 0.20 1 562 71 71 ASN H H 8.630 0.04 1 563 71 71 ASN HA H 4.330 0.04 1 564 71 71 ASN HB2 H 2.740 0.04 2 565 71 71 ASN HB3 H 2.910 0.04 2 566 71 71 ASN C C 176.910 0.20 1 567 71 71 ASN CA C 56.320 0.20 1 568 71 71 ASN CB C 38.040 0.20 1 569 71 71 ASN N N 119.790 0.20 1 570 72 72 MET H H 8.230 0.04 1 571 72 72 MET HA H 4.400 0.04 1 572 72 72 MET HB2 H 2.140 0.04 2 573 72 72 MET HB3 H 2.640 0.04 2 574 72 72 MET HG2 H 2.640 0.04 2 575 72 72 MET C C 177.710 0.20 1 576 72 72 MET CA C 57.870 0.20 1 577 72 72 MET CB C 32.990 0.20 1 578 72 72 MET CG C 32.090 0.20 1 579 72 72 MET N N 117.100 0.20 1 580 73 73 ASN H H 8.240 0.04 1 581 73 73 ASN HA H 4.980 0.04 1 582 73 73 ASN HB2 H 2.890 0.04 2 583 73 73 ASN C C 176.230 0.20 1 584 73 73 ASN CA C 54.550 0.20 1 585 73 73 ASN CB C 40.150 0.20 1 586 73 73 ASN N N 114.330 0.20 1 587 74 74 LEU H H 7.610 0.04 1 588 74 74 LEU HA H 4.810 0.04 1 589 74 74 LEU HB2 H 2.360 0.04 2 590 74 74 LEU HB3 H 1.980 0.04 2 591 74 74 LEU HD1 H 0.960 0.04 2 592 74 74 LEU HD2 H 0.970 0.04 2 593 74 74 LEU HG H 1.600 0.04 1 594 74 74 LEU C C 177.890 0.20 1 595 74 74 LEU CA C 54.650 0.20 1 596 74 74 LEU CB C 42.900 0.20 1 597 74 74 LEU CD1 C 22.980 0.20 1 598 74 74 LEU CD2 C 25.700 0.20 1 599 74 74 LEU CG C 27.250 0.20 1 600 74 74 LEU N N 118.970 0.20 1 601 75 75 GLY H H 7.980 0.04 1 602 75 75 GLY HA2 H 3.870 0.04 2 603 75 75 GLY HA3 H 3.950 0.04 2 604 75 75 GLY C C 175.620 0.20 1 605 75 75 GLY CA C 46.550 0.20 1 606 75 75 GLY N N 107.260 0.20 1 607 76 76 GLY H H 8.170 0.04 1 608 76 76 GLY HA2 H 4.200 0.04 2 609 76 76 GLY HA3 H 3.700 0.04 2 610 76 76 GLY C C 172.960 0.20 1 611 76 76 GLY CA C 45.750 0.20 1 612 76 76 GLY N N 104.550 0.20 1 613 77 77 HIS H H 7.510 0.04 1 614 77 77 HIS HA H 5.140 0.04 1 615 77 77 HIS HB2 H 2.860 0.04 2 616 77 77 HIS HB3 H 3.080 0.04 2 617 77 77 HIS HD2 H 6.909 0.04 1 618 77 77 HIS C C 172.270 0.20 1 619 77 77 HIS CA C 53.560 0.20 1 620 77 77 HIS CB C 31.980 0.20 1 621 77 77 HIS N N 116.690 0.20 1 622 78 78 VAL H H 8.980 0.04 1 623 78 78 VAL HA H 5.010 0.04 1 624 78 78 VAL HB H 2.470 0.04 1 625 78 78 VAL HG1 H 0.990 0.04 2 626 78 78 VAL HG2 H 1.130 0.04 2 627 78 78 VAL C C 175.440 0.20 1 628 78 78 VAL CA C 60.500 0.20 1 629 78 78 VAL CB C 34.750 0.20 1 630 78 78 VAL CG1 C 20.990 0.20 1 631 78 78 VAL CG2 C 22.700 0.20 1 632 78 78 VAL N N 115.300 0.20 1 633 79 79 ASP H H 9.320 0.04 1 634 79 79 ASP HA H 5.510 0.04 1 635 79 79 ASP HB2 H 2.510 0.04 2 636 79 79 ASP HB3 H 2.980 0.04 2 637 79 79 ASP C C 176.470 0.20 1 638 79 79 ASP CA C 51.560 0.20 1 639 79 79 ASP CB C 41.150 0.20 1 640 79 79 ASP N N 126.730 0.20 1 641 80 80 PHE H H 8.470 0.04 1 642 80 80 PHE HA H 3.290 0.04 1 643 80 80 PHE HB2 H 2.080 0.04 2 644 80 80 PHE HB3 H 2.440 0.04 2 645 80 80 PHE HD1 H 6.714 0.04 3 646 80 80 PHE HE1 H 7.071 0.04 3 647 80 80 PHE HZ H 7.217 0.04 1 648 80 80 PHE C C 176.380 0.20 1 649 80 80 PHE CA C 61.540 0.20 1 650 80 80 PHE CB C 38.210 0.20 1 651 80 80 PHE N N 118.450 0.20 1 652 81 81 ASP H H 7.600 0.04 1 653 81 81 ASP HA H 4.040 0.04 1 654 81 81 ASP HB2 H 2.570 0.04 2 655 81 81 ASP HB3 H 2.740 0.04 2 656 81 81 ASP C C 179.670 0.20 1 657 81 81 ASP CA C 57.940 0.20 1 658 81 81 ASP CB C 40.140 0.20 1 659 81 81 ASP N N 118.160 0.20 1 660 82 82 ASP H H 8.680 0.04 1 661 82 82 ASP HA H 4.350 0.04 1 662 82 82 ASP HB2 H 2.530 0.04 2 663 82 82 ASP HB3 H 3.150 0.04 2 664 82 82 ASP C C 178.350 0.20 1 665 82 82 ASP CA C 57.410 0.20 1 666 82 82 ASP CB C 41.390 0.20 1 667 82 82 ASP N N 121.670 0.20 1 668 83 83 PHE H H 8.620 0.04 1 669 83 83 PHE HA H 4.070 0.04 1 670 83 83 PHE HB2 H 3.140 0.04 2 671 83 83 PHE HB3 H 3.360 0.04 2 672 83 83 PHE HD1 H 7.104 0.04 3 673 83 83 PHE HE1 H 7.494 0.04 3 674 83 83 PHE HZ H 7.317 0.04 1 675 83 83 PHE C C 176.680 0.20 1 676 83 83 PHE CA C 61.230 0.20 1 677 83 83 PHE CB C 39.720 0.20 1 678 83 83 PHE N N 122.090 0.20 1 679 84 84 VAL H H 8.300 0.04 1 680 84 84 VAL HA H 2.990 0.04 1 681 84 84 VAL HB H 1.810 0.04 1 682 84 84 VAL HG1 H 0.290 0.04 2 683 84 84 VAL HG2 H 0.640 0.04 2 684 84 84 VAL C C 178.870 0.20 1 685 84 84 VAL CA C 67.460 0.20 1 686 84 84 VAL CB C 31.420 0.20 1 687 84 84 VAL CG1 C 24.060 0.20 1 688 84 84 VAL CG2 C 21.500 0.20 1 689 84 84 VAL N N 120.090 0.20 1 690 85 85 GLU H H 7.600 0.04 1 691 85 85 GLU HA H 3.920 0.04 1 692 85 85 GLU HB2 H 2.120 0.04 2 693 85 85 GLU HG2 H 2.210 0.04 2 694 85 85 GLU C C 178.470 0.20 1 695 85 85 GLU CA C 59.160 0.20 1 696 85 85 GLU CB C 29.390 0.20 1 697 85 85 GLU CG C 36.140 0.20 1 698 85 85 GLU N N 120.250 0.20 1 699 86 86 LEU H H 7.860 0.04 1 700 86 86 LEU HA H 4.120 0.04 1 701 86 86 LEU HB2 H 1.330 0.04 2 702 86 86 LEU HB3 H 1.710 0.04 2 703 86 86 LEU HD1 H 0.820 0.04 2 704 86 86 LEU HD2 H 0.800 0.04 2 705 86 86 LEU HG H 1.790 0.04 1 706 86 86 LEU C C 178.500 0.20 1 707 86 86 LEU CA C 56.880 0.20 1 708 86 86 LEU CB C 43.020 0.20 1 709 86 86 LEU CD1 C 24.300 0.20 1 710 86 86 LEU CD2 C 25.710 0.20 1 711 86 86 LEU CG C 27.200 0.20 1 712 86 86 LEU N N 117.470 0.20 1 713 87 87 MET H H 8.260 0.04 1 714 87 87 MET HA H 4.340 0.04 1 715 87 87 MET HB2 H 1.410 0.04 2 716 87 87 MET HG2 H 1.830 0.04 2 717 87 87 MET C C 178.620 0.20 1 718 87 87 MET CA C 56.900 0.20 1 719 87 87 MET CB C 31.850 0.20 1 720 87 87 MET CG C 32.000 0.20 1 721 87 87 MET N N 114.470 0.20 1 722 88 88 GLY H H 8.310 0.04 1 723 88 88 GLY HA2 H 4.170 0.04 2 724 88 88 GLY HA3 H 3.590 0.04 2 725 88 88 GLY CA C 49.150 0.20 1 726 88 88 GLY N N 108.310 0.20 1 727 89 89 PRO HA H 4.180 0.04 1 728 89 89 PRO HB2 H 1.690 0.04 2 729 89 89 PRO HB3 H 2.360 0.04 2 730 89 89 PRO HD2 H 3.420 0.04 2 731 89 89 PRO HD3 H 3.530 0.04 2 732 89 89 PRO HG2 H 2.050 0.04 2 733 89 89 PRO HG3 H 1.870 0.04 2 734 89 89 PRO C C 178.730 0.20 1 735 89 89 PRO CA C 65.160 0.20 1 736 89 89 PRO CB C 32.320 0.20 1 737 89 89 PRO CD C 47.230 0.20 1 738 89 89 PRO CG C 27.620 0.20 1 739 90 90 LYS H H 7.070 0.04 1 740 90 90 LYS HA H 4.000 0.04 1 741 90 90 LYS HB2 H 1.630 0.04 2 742 90 90 LYS C C 177.960 0.20 1 743 90 90 LYS CA C 57.610 0.20 1 744 90 90 LYS CB C 31.710 0.20 1 745 90 90 LYS N N 114.730 0.20 1 746 91 91 LEU H H 7.670 0.04 1 747 91 91 LEU HA H 4.140 0.04 1 748 91 91 LEU HB2 H 1.640 0.04 2 749 91 91 LEU HD1 H 0.800 0.04 2 750 91 91 LEU HD2 H 0.780 0.04 2 751 91 91 LEU C C 179.030 0.20 1 752 91 91 LEU CA C 57.220 0.20 1 753 91 91 LEU CB C 41.980 0.20 1 754 91 91 LEU CD1 C 23.720 0.20 1 755 91 91 LEU CD2 C 25.640 0.20 1 756 91 91 LEU N N 119.380 0.20 1 757 92 92 LEU H H 7.860 0.04 1 758 92 92 LEU HA H 4.170 0.04 1 759 92 92 LEU HB2 H 1.630 0.04 2 760 92 92 LEU HD1 H 0.730 0.04 2 761 92 92 LEU HD2 H 0.750 0.04 2 762 92 92 LEU HG H 1.600 0.04 1 763 92 92 LEU C C 177.440 0.20 1 764 92 92 LEU CA C 55.820 0.20 1 765 92 92 LEU CB C 41.990 0.20 1 766 92 92 LEU CD1 C 23.030 0.20 1 767 92 92 LEU CD2 C 25.290 0.20 1 768 92 92 LEU CG C 27.000 0.20 1 769 92 92 LEU N N 118.110 0.20 1 770 93 93 ALA H H 7.440 0.04 1 771 93 93 ALA HA H 4.260 0.04 1 772 93 93 ALA HB H 1.490 0.04 1 773 93 93 ALA C C 177.960 0.20 1 774 93 93 ALA CA C 53.170 0.20 1 775 93 93 ALA CB C 19.130 0.20 1 776 93 93 ALA N N 121.930 0.20 1 777 94 94 GLU H H 8.120 0.02 1 778 94 94 GLU HA H 4.400 0.04 1 779 94 94 GLU HB2 H 2.370 0.04 2 780 94 94 GLU HG2 H 2.360 0.04 2 781 94 94 GLU C C 176.900 0.20 1 782 94 94 GLU CA C 56.880 0.20 1 783 94 94 GLU CB C 30.450 0.20 1 784 94 94 GLU CG C 36.450 0.20 1 785 94 94 GLU N N 118.940 0.20 1 786 95 95 THR H H 8.020 0.04 1 787 95 95 THR HA H 4.400 0.04 1 788 95 95 THR HB H 4.330 0.04 1 789 95 95 THR HG2 H 1.240 0.04 1 790 95 95 THR C C 174.650 0.20 1 791 95 95 THR CA C 62.080 0.20 1 792 95 95 THR CB C 69.990 0.20 1 793 95 95 THR CG2 C 21.860 0.20 1 794 95 95 THR N N 113.590 0.20 1 795 96 96 ALA H H 8.300 0.04 1 796 96 96 ALA HA H 4.320 0.04 1 797 96 96 ALA HB H 1.420 0.04 1 798 96 96 ALA C C 177.460 0.20 1 799 96 96 ALA CA C 53.070 0.20 1 800 96 96 ALA CB C 19.440 0.20 1 801 96 96 ALA N N 125.550 0.20 1 802 97 97 ASP H H 8.290 0.04 1 803 97 97 ASP HA H 4.610 0.04 1 804 97 97 ASP HB2 H 2.600 0.04 2 805 97 97 ASP HB3 H 2.750 0.04 2 806 97 97 ASP C C 176.060 0.20 1 807 97 97 ASP CA C 54.860 0.20 1 808 97 97 ASP CB C 41.130 0.20 1 809 97 97 ASP N N 118.640 0.20 1 810 98 98 MET H H 8.110 0.04 1 811 98 98 MET HA H 4.490 0.04 1 812 98 98 MET HB2 H 2.070 0.04 2 813 98 98 MET HG2 H 2.610 0.04 2 814 98 98 MET C C 176.220 0.20 1 815 98 98 MET CA C 55.870 0.20 1 816 98 98 MET CB C 33.360 0.20 1 817 98 98 MET CG C 32.070 0.20 1 818 98 98 MET N N 119.800 0.20 1 819 99 99 ILE HA H 4.200 0.04 1 820 99 99 ILE HB H 1.830 0.04 1 821 99 99 ILE HD1 H 0.840 0.04 1 822 99 99 ILE HG12 H 1.520 0.04 2 823 99 99 ILE HG13 H 1.200 0.04 2 824 99 99 ILE HG2 H 0.950 0.04 1 825 99 99 ILE C C 175.490 0.20 1 826 99 99 ILE CA C 61.020 0.20 1 827 99 99 ILE CB C 38.850 0.20 1 828 99 99 ILE CD1 C 13.220 0.20 1 829 99 99 ILE CG1 C 27.280 0.20 1 830 99 99 ILE CG2 C 17.500 0.20 1 831 100 100 GLY H H 8.480 0.04 1 832 100 100 GLY HA2 H 4.160 0.04 2 833 100 100 GLY HA3 H 3.990 0.04 2 834 100 100 GLY C C 174.140 0.20 1 835 100 100 GLY CA C 44.890 0.20 1 836 100 100 GLY N N 112.750 0.20 1 837 101 101 VAL H H 8.160 0.04 1 838 101 101 VAL HA H 3.920 0.04 1 839 101 101 VAL HB H 2.150 0.04 1 840 101 101 VAL HG1 H 1.070 0.04 2 841 101 101 VAL HG2 H 1.020 0.04 2 842 101 101 VAL C C 177.200 0.20 1 843 101 101 VAL CA C 65.040 0.20 1 844 101 101 VAL CB C 31.830 0.20 1 845 101 101 VAL CG1 C 21.680 0.20 1 846 101 101 VAL CG2 C 21.090 0.20 1 847 101 101 VAL N N 119.570 0.20 1 848 102 102 LYS H H 8.410 0.04 1 849 102 102 LYS HA H 4.010 0.04 1 850 102 102 LYS HB2 H 1.790 0.04 2 851 102 102 LYS HB3 H 1.890 0.04 2 852 102 102 LYS HG2 H 1.440 0.04 2 853 102 102 LYS C C 178.110 0.20 1 854 102 102 LYS CA C 59.120 0.20 1 855 102 102 LYS CB C 32.050 0.20 1 856 102 102 LYS N N 122.150 0.20 1 857 103 103 GLU H H 8.370 0.04 1 858 103 103 GLU HA H 4.180 0.04 1 859 103 103 GLU HB2 H 2.240 0.04 2 860 103 103 GLU HB3 H 2.060 0.04 2 861 103 103 GLU HG2 H 2.500 0.04 2 862 103 103 GLU HG3 H 2.320 0.04 2 863 103 103 GLU C C 179.870 0.20 1 864 103 103 GLU CA C 59.290 0.20 1 865 103 103 GLU CB C 28.840 0.20 1 866 103 103 GLU CG C 37.210 0.20 1 867 103 103 GLU N N 119.400 0.20 1 868 104 104 LEU H H 8.370 0.04 1 869 104 104 LEU HA H 4.320 0.04 1 870 104 104 LEU HB2 H 2.250 0.04 2 871 104 104 LEU HB3 H 1.590 0.04 2 872 104 104 LEU HD1 H 0.820 0.04 2 873 104 104 LEU HD2 H 0.870 0.04 2 874 104 104 LEU HG H 1.840 0.04 1 875 104 104 LEU C C 179.090 0.20 1 876 104 104 LEU CA C 58.040 0.20 1 877 104 104 LEU CB C 42.150 0.20 1 878 104 104 LEU CD1 C 24.000 0.20 1 879 104 104 LEU CD2 C 26.360 0.20 1 880 104 104 LEU CG C 27.670 0.20 1 881 104 104 LEU N N 121.930 0.20 1 882 105 105 ARG H H 8.700 0.04 1 883 105 105 ARG HA H 3.990 0.04 1 884 105 105 ARG HB2 H 1.870 0.04 2 885 105 105 ARG HD2 H 2.740 0.04 2 886 105 105 ARG HG2 H 1.390 0.04 2 887 105 105 ARG C C 178.910 0.20 1 888 105 105 ARG CA C 59.360 0.20 1 889 105 105 ARG CB C 29.000 0.20 1 890 105 105 ARG CD C 42.630 0.20 1 891 105 105 ARG CG C 26.630 0.20 1 892 105 105 ARG N N 120.490 0.20 1 893 106 106 ASP H H 8.060 0.04 1 894 106 106 ASP HA H 4.420 0.04 1 895 106 106 ASP HB2 H 2.790 0.04 2 896 106 106 ASP HB3 H 2.680 0.04 2 897 106 106 ASP C C 178.590 0.20 1 898 106 106 ASP CA C 56.970 0.20 1 899 106 106 ASP CB C 39.740 0.20 1 900 106 106 ASP N N 120.040 0.20 1 901 107 107 ALA H H 8.000 0.04 1 902 107 107 ALA HA H 4.130 0.04 1 903 107 107 ALA HB H 1.660 0.04 1 904 107 107 ALA C C 178.320 0.20 1 905 107 107 ALA CA C 54.640 0.20 1 906 107 107 ALA CB C 17.640 0.20 1 907 107 107 ALA N N 123.030 0.20 1 908 108 108 PHE H H 8.420 0.04 1 909 108 108 PHE HA H 3.060 0.04 1 910 108 108 PHE HB2 H 2.880 0.04 2 911 108 108 PHE HB3 H 3.120 0.04 2 912 108 108 PHE HD1 H 6.570 0.04 3 913 108 108 PHE HE1 H 7.000 0.04 3 914 108 108 PHE HZ H 7.290 0.04 1 915 108 108 PHE C C 176.820 0.20 1 916 108 108 PHE CA C 61.220 0.20 1 917 108 108 PHE CB C 39.310 0.20 1 918 108 108 PHE N N 118.830 0.20 1 919 109 109 ARG H H 7.700 0.04 1 920 109 109 ARG HA H 3.950 0.04 1 921 109 109 ARG HB2 H 1.910 0.04 2 922 109 109 ARG C C 178.300 0.20 1 923 109 109 ARG CA C 58.540 0.20 1 924 109 109 ARG CB C 29.850 0.20 1 925 109 109 ARG CD C 42.930 0.20 1 926 109 109 ARG CG C 27.150 0.20 1 927 109 109 ARG N N 115.630 0.20 1 928 110 110 GLU H H 7.500 0.04 1 929 110 110 GLU HA H 3.870 0.04 1 930 110 110 GLU HB2 H 2.030 0.04 2 931 110 110 GLU HB3 H 1.930 0.04 2 932 110 110 GLU HG2 H 2.270 0.04 2 933 110 110 GLU HG3 H 2.040 0.04 2 934 110 110 GLU C C 178.250 0.20 1 935 110 110 GLU CA C 58.120 0.20 1 936 110 110 GLU CB C 28.990 0.20 1 937 110 110 GLU CG C 36.160 0.20 1 938 110 110 GLU N N 117.530 0.20 1 939 111 111 PHE H H 7.620 0.04 1 940 111 111 PHE HA H 4.430 0.04 1 941 111 111 PHE HB2 H 2.780 0.04 2 942 111 111 PHE HD1 H 7.190 0.04 3 943 111 111 PHE HE1 H 7.300 0.04 3 944 111 111 PHE C C 176.610 0.20 1 945 111 111 PHE CA C 57.570 0.20 1 946 111 111 PHE CB C 39.080 0.20 1 947 111 111 PHE N N 116.750 0.20 1 948 112 112 ASP H H 7.520 0.04 1 949 112 112 ASP HA H 4.530 0.04 1 950 112 112 ASP HB2 H 2.600 0.04 2 951 112 112 ASP HB3 H 1.730 0.04 2 952 112 112 ASP C C 177.010 0.20 1 953 112 112 ASP CA C 51.950 0.20 1 954 112 112 ASP CB C 38.640 0.20 1 955 112 112 ASP N N 118.840 0.20 1 956 113 113 THR H H 7.890 0.04 1 957 113 113 THR HA H 3.930 0.04 1 958 113 113 THR HB H 4.190 0.04 1 959 113 113 THR HG2 H 1.280 0.04 1 960 113 113 THR C C 176.410 0.20 1 961 113 113 THR CA C 64.890 0.20 1 962 113 113 THR CB C 68.620 0.20 1 963 113 113 THR CG2 C 22.530 0.20 1 964 113 113 THR N N 118.410 0.20 1 965 114 114 ASN H H 8.050 0.04 1 966 114 114 ASN HA H 4.810 0.04 1 967 114 114 ASN HB2 H 3.290 0.04 2 968 114 114 ASN HB3 H 2.870 0.04 2 969 114 114 ASN C C 176.660 0.20 1 970 114 114 ASN CA C 51.530 0.20 1 971 114 114 ASN CB C 37.010 0.20 1 972 114 114 ASN N N 115.790 0.20 1 973 115 115 GLY H H 7.620 0.04 1 974 115 115 GLY HA2 H 3.800 0.04 2 975 115 115 GLY C C 174.790 0.20 1 976 115 115 GLY CA C 47.210 0.20 1 977 115 115 GLY N N 108.930 0.20 1 978 116 116 ASP H H 8.000 0.04 1 979 116 116 ASP HA H 4.530 0.04 1 980 116 116 ASP HB2 H 3.100 0.04 2 981 116 116 ASP HB3 H 2.420 0.04 2 982 116 116 ASP C C 177.570 0.20 1 983 116 116 ASP CA C 53.070 0.20 1 984 116 116 ASP CB C 40.250 0.20 1 985 116 116 ASP N N 118.910 0.20 1 986 117 117 GLY H H 10.430 0.04 1 987 117 117 GLY HA2 H 4.290 0.04 2 988 117 117 GLY HA3 H 3.600 0.04 2 989 117 117 GLY C C 173.180 0.20 1 990 117 117 GLY CA C 45.400 0.20 1 991 117 117 GLY N N 112.670 0.20 1 992 118 118 GLU H H 7.890 0.04 1 993 118 118 GLU HA H 4.910 0.04 1 994 118 118 GLU HB2 H 1.730 0.04 2 995 118 118 GLU HB3 H 1.840 0.04 2 996 118 118 GLU HG2 H 2.060 0.04 2 997 118 118 GLU C C 174.240 0.20 1 998 118 118 GLU CA C 53.640 0.20 1 999 118 118 GLU CB C 33.550 0.20 1 1000 118 118 GLU CG C 35.410 0.20 1 1001 118 118 GLU N N 116.910 0.20 1 1002 119 119 ILE H H 9.320 0.04 1 1003 119 119 ILE HA H 4.950 0.04 1 1004 119 119 ILE HB H 1.990 0.04 1 1005 119 119 ILE HD1 H 0.240 0.04 1 1006 119 119 ILE HG12 H 0.890 0.04 2 1007 119 119 ILE HG13 H 0.390 0.04 2 1008 119 119 ILE HG2 H 0.890 0.04 1 1009 119 119 ILE C C 175.560 0.20 1 1010 119 119 ILE CA C 59.420 0.20 1 1011 119 119 ILE CB C 37.710 0.20 1 1012 119 119 ILE CD1 C 14.220 0.20 1 1013 119 119 ILE CG1 C 27.730 0.20 1 1014 119 119 ILE CG2 C 18.370 0.20 1 1015 119 119 ILE N N 126.630 0.20 1 1016 120 120 SER H H 9.240 0.04 1 1017 120 120 SER HA H 4.810 0.04 1 1018 120 120 SER HB2 H 4.450 0.04 2 1019 120 120 SER HB3 H 4.010 0.04 2 1020 120 120 SER C C 175.510 0.20 1 1021 120 120 SER CA C 56.420 0.20 1 1022 120 120 SER CB C 65.420 0.20 1 1023 120 120 SER N N 124.530 0.20 1 1024 121 121 THR H H 8.810 0.04 1 1025 121 121 THR HA H 3.810 0.04 1 1026 121 121 THR HB H 4.190 0.04 1 1027 121 121 THR HG2 H 1.230 0.04 1 1028 121 121 THR C C 175.510 0.20 1 1029 121 121 THR CA C 67.040 0.20 1 1030 121 121 THR CB C 67.860 0.20 1 1031 121 121 THR CG2 C 22.660 0.20 1 1032 121 121 THR N N 114.300 0.20 1 1033 122 122 SER H H 8.190 0.04 1 1034 122 122 SER HA H 4.190 0.04 1 1035 122 122 SER HB2 H 3.900 0.04 2 1036 122 122 SER C C 177.720 0.20 1 1037 122 122 SER CA C 61.730 0.20 1 1038 122 122 SER CB C 61.730 0.20 1 1039 122 122 SER N N 115.880 0.20 1 1040 123 123 GLU H H 7.720 0.04 1 1041 123 123 GLU HA H 4.160 0.04 1 1042 123 123 GLU HB2 H 2.500 0.04 2 1043 123 123 GLU HB3 H 2.320 0.04 2 1044 123 123 GLU HG2 H 2.430 0.04 2 1045 123 123 GLU HG3 H 2.580 0.04 2 1046 123 123 GLU C C 180.410 0.20 1 1047 123 123 GLU CA C 58.330 0.20 1 1048 123 123 GLU CB C 29.270 0.20 1 1049 123 123 GLU CG C 36.180 0.20 1 1050 123 123 GLU N N 123.340 0.20 1 1051 124 124 LEU H H 8.820 0.04 1 1052 124 124 LEU HA H 3.950 0.04 1 1053 124 124 LEU HB2 H 1.950 0.04 2 1054 124 124 LEU HB3 H 1.510 0.04 2 1055 124 124 LEU HD1 H 0.900 0.04 2 1056 124 124 LEU HD2 H 0.950 0.04 2 1057 124 124 LEU HG H 1.610 0.04 1 1058 124 124 LEU C C 177.770 0.20 1 1059 124 124 LEU CA C 57.410 0.20 1 1060 124 124 LEU CB C 41.280 0.20 1 1061 124 124 LEU CD1 C 26.620 0.20 1 1062 124 124 LEU CD2 C 23.300 0.20 1 1063 124 124 LEU N N 122.540 0.20 1 1064 125 125 ARG H H 8.310 0.04 1 1065 125 125 ARG HA H 3.660 0.04 1 1066 125 125 ARG HB2 H 1.980 0.04 2 1067 125 125 ARG HB3 H 1.910 0.04 2 1068 125 125 ARG HD2 H 3.180 0.04 2 1069 125 125 ARG HG2 H 1.490 0.04 2 1070 125 125 ARG HG3 H 1.630 0.04 2 1071 125 125 ARG C C 178.440 0.20 1 1072 125 125 ARG CA C 60.220 0.20 1 1073 125 125 ARG CB C 30.010 0.20 1 1074 125 125 ARG CD C 42.830 0.20 1 1075 125 125 ARG CG C 27.830 0.20 1 1076 125 125 ARG N N 118.960 0.20 1 1077 126 126 GLU H H 7.570 0.04 1 1078 126 126 GLU HA H 4.120 0.04 1 1079 126 126 GLU HB2 H 2.050 0.04 2 1080 126 126 GLU HG2 H 2.370 0.04 2 1081 126 126 GLU C C 178.700 0.20 1 1082 126 126 GLU CA C 58.330 0.20 1 1083 126 126 GLU CB C 29.250 0.20 1 1084 126 126 GLU CG C 35.510 0.20 1 1085 126 126 GLU N N 116.810 0.20 1 1086 127 127 ALA H H 7.860 0.04 1 1087 127 127 ALA HA H 3.750 0.04 1 1088 127 127 ALA HB H 0.730 0.04 1 1089 127 127 ALA C C 179.960 0.20 1 1090 127 127 ALA CA C 54.570 0.20 1 1091 127 127 ALA CB C 17.430 0.20 1 1092 127 127 ALA N N 121.670 0.20 1 1093 128 128 MET H H 8.330 0.04 1 1094 128 128 MET HA H 4.220 0.04 1 1095 128 128 MET HB2 H 2.140 0.04 2 1096 128 128 MET HB3 H 1.860 0.04 2 1097 128 128 MET HG2 H 2.630 0.04 2 1098 128 128 MET HG3 H 2.550 0.04 2 1099 128 128 MET C C 178.180 0.20 1 1100 128 128 MET CA C 57.100 0.20 1 1101 128 128 MET CB C 31.440 0.20 1 1102 128 128 MET CG C 32.900 0.20 1 1103 128 128 MET N N 115.210 0.20 1 1104 129 129 ARG H H 7.820 0.04 1 1105 129 129 ARG HA H 3.990 0.04 1 1106 129 129 ARG HB2 H 1.880 0.04 2 1107 129 129 ARG HD2 H 2.780 0.04 2 1108 129 129 ARG HG2 H 1.620 0.04 2 1109 129 129 ARG C C 178.910 0.20 1 1110 129 129 ARG CA C 58.960 0.20 1 1111 129 129 ARG CB C 29.590 0.20 1 1112 129 129 ARG CD C 43.270 0.20 1 1113 129 129 ARG CG C 26.750 0.20 1 1114 129 129 ARG N N 119.220 0.20 1 1115 130 130 LYS H H 7.490 0.04 1 1116 130 130 LYS HA H 4.060 0.04 1 1117 130 130 LYS HB2 H 1.940 0.04 2 1118 130 130 LYS HG2 H 1.430 0.04 2 1119 130 130 LYS C C 178.520 0.20 1 1120 130 130 LYS CA C 58.660 0.20 1 1121 130 130 LYS CB C 32.530 0.20 1 1122 130 130 LYS N N 118.310 0.20 1 1123 131 131 LEU H H 8.060 0.04 1 1124 131 131 LEU HA H 4.230 0.04 1 1125 131 131 LEU HB2 H 1.750 0.04 2 1126 131 131 LEU HB3 H 1.580 0.04 2 1127 131 131 LEU HD1 H 0.860 0.04 2 1128 131 131 LEU HD2 H 0.960 0.04 2 1129 131 131 LEU HG H 1.700 0.04 1 1130 131 131 LEU C C 178.520 0.20 1 1131 131 131 LEU CA C 56.830 0.20 1 1132 131 131 LEU CB C 42.880 0.20 1 1133 131 131 LEU CD1 C 22.660 0.20 1 1134 131 131 LEU CD2 C 25.160 0.20 1 1135 131 131 LEU CG C 26.700 0.20 1 1136 131 131 LEU N N 118.580 0.20 1 1137 132 132 LEU H H 8.220 0.04 1 1138 132 132 LEU HA H 4.360 0.04 1 1139 132 132 LEU HB2 H 1.660 0.04 2 1140 132 132 LEU HB3 H 1.350 0.04 2 1141 132 132 LEU HD1 H 0.800 0.04 2 1142 132 132 LEU HD2 H 0.800 0.04 2 1143 132 132 LEU C C 178.470 0.20 1 1144 132 132 LEU CA C 54.990 0.20 1 1145 132 132 LEU CB C 42.400 0.20 1 1146 132 132 LEU CD1 C 22.480 0.20 1 1147 132 132 LEU CD2 C 25.700 0.20 1 1148 132 132 LEU CG C 26.780 0.20 1 1149 132 132 LEU N N 116.310 0.20 1 1150 133 133 GLY H H 7.720 0.04 1 1151 133 133 GLY HA2 H 4.080 0.04 2 1152 133 133 GLY HA3 H 3.830 0.04 2 1153 133 133 GLY CA C 45.890 0.20 1 1154 133 133 GLY N N 107.320 0.20 1 1155 134 134 HIS C C 175.080 0.20 1 1156 135 135 GLN H H 8.200 0.04 1 1157 135 135 GLN HA H 4.260 0.04 1 1158 135 135 GLN HB2 H 2.050 0.04 2 1159 135 135 GLN HB3 H 1.940 0.04 2 1160 135 135 GLN HG2 H 2.220 0.04 2 1161 135 135 GLN C C 175.990 0.20 1 1162 135 135 GLN CA C 56.030 0.20 1 1163 135 135 GLN CB C 28.930 0.20 1 1164 135 135 GLN CG C 33.500 0.20 1 1165 135 135 GLN N N 119.250 0.20 1 1166 136 136 VAL H H 7.920 0.04 1 1167 136 136 VAL HA H 4.160 0.04 1 1168 136 136 VAL HB H 2.060 0.04 1 1169 136 136 VAL HG1 H 0.900 0.04 2 1170 136 136 VAL HG2 H 0.920 0.04 2 1171 136 136 VAL C C 176.050 0.20 1 1172 136 136 VAL CA C 61.840 0.20 1 1173 136 136 VAL CB C 32.650 0.20 1 1174 136 136 VAL CG1 C 20.840 0.20 1 1175 136 136 VAL CG2 C 21.630 0.20 1 1176 136 136 VAL N N 119.690 0.20 1 1177 137 137 GLY H H 8.640 0.04 1 1178 137 137 GLY HA2 H 3.960 0.04 2 1179 137 137 GLY CA C 45.020 0.20 1 1180 137 137 GLY N N 111.890 0.20 1 1181 140 140 ASP C C 178.240 0.20 1 1182 141 141 ILE H H 8.090 0.04 1 1183 141 141 ILE HA H 3.780 0.04 1 1184 141 141 ILE HB H 1.990 0.04 1 1185 141 141 ILE HD1 H 0.770 0.04 1 1186 141 141 ILE HG12 H 1.460 0.04 2 1187 141 141 ILE HG13 H 1.300 0.04 2 1188 141 141 ILE HG2 H 0.930 0.04 1 1189 141 141 ILE C C 176.780 0.20 1 1190 141 141 ILE CA C 62.820 0.20 1 1191 141 141 ILE CB C 36.940 0.20 1 1192 141 141 ILE CD1 C 12.620 0.20 1 1193 141 141 ILE CG1 C 28.780 0.20 1 1194 141 141 ILE CG2 C 18.170 0.20 1 1195 141 141 ILE N N 121.900 0.20 1 1196 142 142 GLU H H 8.130 0.04 1 1197 142 142 GLU HA H 3.880 0.04 1 1198 142 142 GLU HB2 H 2.030 0.04 2 1199 142 142 GLU HG2 H 2.270 0.04 2 1200 142 142 GLU HG3 H 2.050 0.04 2 1201 142 142 GLU C C 179.280 0.20 1 1202 142 142 GLU CA C 59.030 0.20 1 1203 142 142 GLU CB C 28.600 0.20 1 1204 142 142 GLU CG C 36.080 0.20 1 1205 142 142 GLU N N 119.220 0.20 1 1206 143 143 GLU H H 7.590 0.04 1 1207 143 143 GLU HA H 3.970 0.04 1 1208 143 143 GLU HB2 H 2.120 0.04 2 1209 143 143 GLU HG2 H 2.240 0.04 2 1210 143 143 GLU HG3 H 2.370 0.04 2 1211 143 143 GLU C C 178.410 0.20 1 1212 143 143 GLU CA C 58.780 0.20 1 1213 143 143 GLU CB C 29.300 0.20 1 1214 143 143 GLU CG C 36.160 0.20 1 1215 143 143 GLU N N 118.030 0.20 1 1216 144 144 ILE H H 7.560 0.04 1 1217 144 144 ILE HA H 3.750 0.04 1 1218 144 144 ILE HB H 1.920 0.04 1 1219 144 144 ILE HD1 H 0.780 0.04 1 1220 144 144 ILE HG12 H 1.700 0.04 1 1221 144 144 ILE HG13 H 1.040 0.04 1 1222 144 144 ILE HG2 H 0.850 0.04 1 1223 144 144 ILE C C 178.140 0.20 1 1224 144 144 ILE CA C 64.570 0.20 1 1225 144 144 ILE CB C 38.410 0.20 1 1226 144 144 ILE CD1 C 13.650 0.20 1 1227 144 144 ILE CG1 C 28.810 0.20 1 1228 144 144 ILE CG2 C 17.300 0.20 1 1229 144 144 ILE N N 119.670 0.20 1 1230 145 145 ILE H H 8.040 0.04 1 1231 145 145 ILE HA H 3.630 0.04 1 1232 145 145 ILE HB H 1.930 0.04 1 1233 145 145 ILE HD1 H 0.720 0.04 1 1234 145 145 ILE HG12 H 1.550 0.04 1 1235 145 145 ILE HG13 H 1.120 0.04 1 1236 145 145 ILE HG2 H 0.870 0.04 1 1237 145 145 ILE C C 177.150 0.20 1 1238 145 145 ILE CA C 64.260 0.20 1 1239 145 145 ILE CB C 37.350 0.20 1 1240 145 145 ILE CD1 C 13.170 0.20 1 1241 145 145 ILE CG1 C 28.690 0.20 1 1242 145 145 ILE CG2 C 17.380 0.20 1 1243 145 145 ILE N N 116.770 0.20 1 1244 146 146 ARG H H 7.470 0.04 1 1245 146 146 ARG HA H 4.060 0.04 1 1246 146 146 ARG HB2 H 1.880 0.04 2 1247 146 146 ARG C C 177.770 0.20 1 1248 146 146 ARG CA C 58.710 0.20 1 1249 146 146 ARG CB C 29.910 0.20 1 1250 146 146 ARG CG C 26.720 0.20 1 1251 146 146 ARG N N 118.860 0.20 1 1252 147 147 ASP H H 7.630 0.04 1 1253 147 147 ASP HA H 4.470 0.04 1 1254 147 147 ASP HB2 H 2.720 0.04 2 1255 147 147 ASP C C 177.260 0.20 1 1256 147 147 ASP CA C 55.570 0.20 1 1257 147 147 ASP CB C 41.470 0.20 1 1258 147 147 ASP N N 116.820 0.20 1 1259 148 148 VAL H H 7.720 0.04 1 1260 148 148 VAL HA H 4.050 0.04 1 1261 148 148 VAL HB H 2.120 0.04 1 1262 148 148 VAL HG1 H 0.970 0.04 2 1263 148 148 VAL HG2 H 0.960 0.04 2 1264 148 148 VAL C C 176.710 0.20 1 1265 148 148 VAL CA C 52.650 0.20 1 1266 148 148 VAL CB C 32.520 0.20 1 1267 148 148 VAL CG1 C 23.610 0.20 1 1268 148 148 VAL CG2 C 21.740 0.20 1 1269 148 148 VAL N N 114.330 0.20 1 1270 149 149 ASP H H 7.970 0.04 1 1271 149 149 ASP HA H 4.690 0.04 1 1272 149 149 ASP HB2 H 2.930 0.04 2 1273 149 149 ASP HB3 H 2.220 0.04 2 1274 149 149 ASP C C 176.860 0.20 1 1275 149 149 ASP CA C 52.810 0.20 1 1276 149 149 ASP CB C 38.910 0.20 1 1277 149 149 ASP N N 119.310 0.20 1 1278 150 150 LEU H H 7.800 0.04 1 1279 150 150 LEU HA H 4.080 0.04 1 1280 150 150 LEU HB2 H 1.830 0.04 2 1281 150 150 LEU HB3 H 1.580 0.04 2 1282 150 150 LEU HD1 H 0.960 0.04 2 1283 150 150 LEU HD2 H 0.860 0.04 2 1284 150 150 LEU HG H 1.750 0.04 1 1285 150 150 LEU C C 178.440 0.20 1 1286 150 150 LEU CA C 56.960 0.20 1 1287 150 150 LEU CB C 42.270 0.20 1 1288 150 150 LEU CD1 C 21.640 0.20 1 1289 150 150 LEU CD2 C 25.040 0.20 1 1290 150 150 LEU CG C 26.450 0.20 1 1291 150 150 LEU N N 126.570 0.20 1 1292 151 151 ASN H H 7.990 0.04 1 1293 151 151 ASN HA H 4.780 0.04 1 1294 151 151 ASN HB2 H 3.270 0.04 2 1295 151 151 ASN HB3 H 2.850 0.04 2 1296 151 151 ASN C C 176.640 0.20 1 1297 151 151 ASN CA C 51.390 0.20 1 1298 151 151 ASN CB C 36.970 0.20 1 1299 151 151 ASN N N 112.520 0.20 1 1300 152 152 GLY H H 7.700 0.04 1 1301 152 152 GLY HA2 H 3.800 0.04 2 1302 152 152 GLY C C 174.790 0.20 1 1303 152 152 GLY CA C 47.100 0.20 1 1304 152 152 GLY N N 109.370 0.20 1 1305 153 153 ASP H H 8.000 0.04 1 1306 153 153 ASP HA H 4.510 0.04 1 1307 153 153 ASP HB2 H 3.080 0.04 2 1308 153 153 ASP HB3 H 2.410 0.04 2 1309 153 153 ASP C C 177.730 0.20 1 1310 153 153 ASP CA C 53.070 0.20 1 1311 153 153 ASP CB C 40.250 0.20 1 1312 153 153 ASP N N 118.910 0.20 1 1313 154 154 GLY H H 10.360 0.04 1 1314 154 154 GLY HA2 H 4.120 0.04 2 1315 154 154 GLY HA3 H 3.480 0.04 2 1316 154 154 GLY C C 173.360 0.20 1 1317 154 154 GLY CA C 45.500 0.20 1 1318 154 154 GLY N N 113.010 0.20 1 1319 155 155 ARG H H 8.000 0.04 1 1320 155 155 ARG HA H 4.830 0.04 1 1321 155 155 ARG HB2 H 1.510 0.04 2 1322 155 155 ARG HD2 H 2.970 0.04 2 1323 155 155 ARG C C 174.410 0.20 1 1324 155 155 ARG CA C 53.470 0.20 1 1325 155 155 ARG CB C 32.790 0.20 1 1326 155 155 ARG CD C 43.340 0.20 1 1327 155 155 ARG CG C 25.940 0.20 1 1328 155 155 ARG N N 118.110 0.20 1 1329 156 156 VAL H H 9.390 0.04 1 1330 156 156 VAL HA H 5.090 0.04 1 1331 156 156 VAL HB H 2.230 0.04 1 1332 156 156 VAL HG1 H 1.140 0.04 2 1333 156 156 VAL HG2 H 0.810 0.04 2 1334 156 156 VAL C C 175.530 0.20 1 1335 156 156 VAL CA C 61.190 0.20 1 1336 156 156 VAL CB C 32.590 0.20 1 1337 156 156 VAL CG1 C 21.390 0.20 1 1338 156 156 VAL CG2 C 21.840 0.20 1 1339 156 156 VAL N N 126.270 0.20 1 1340 157 157 ASP H H 8.680 0.04 1 1341 157 157 ASP HA H 5.110 0.04 1 1342 157 157 ASP HB2 H 3.300 0.04 2 1343 157 157 ASP HB3 H 2.690 0.04 2 1344 157 157 ASP C C 176.100 0.20 1 1345 157 157 ASP CA C 52.090 0.20 1 1346 157 157 ASP CB C 41.620 0.20 1 1347 157 157 ASP N N 127.840 0.20 1 1348 158 158 PHE H H 8.800 0.04 1 1349 158 158 PHE HA H 3.730 0.04 1 1350 158 158 PHE HB2 H 2.660 0.04 2 1351 158 158 PHE HB3 H 2.430 0.04 2 1352 158 158 PHE HD1 H 6.600 0.04 3 1353 158 158 PHE HE1 H 7.050 0.04 3 1354 158 158 PHE C C 176.490 0.20 1 1355 158 158 PHE CA C 62.220 0.20 1 1356 158 158 PHE CB C 38.490 0.20 1 1357 158 158 PHE N N 118.460 0.20 1 1358 159 159 GLU H H 8.110 0.04 1 1359 159 159 GLU HA H 3.720 0.04 1 1360 159 159 GLU HB2 H 2.020 0.04 2 1361 159 159 GLU HB3 H 2.140 0.04 2 1362 159 159 GLU HG2 H 2.310 0.04 2 1363 159 159 GLU C C 180.530 0.20 1 1364 159 159 GLU CA C 59.910 0.20 1 1365 159 159 GLU CB C 28.670 0.20 1 1366 159 159 GLU CG C 36.640 0.20 1 1367 159 159 GLU N N 117.940 0.20 1 1368 160 160 GLU H H 8.640 0.04 1 1369 160 160 GLU HA H 3.970 0.04 1 1370 160 160 GLU HB2 H 2.570 0.04 2 1371 160 160 GLU HB3 H 2.170 0.04 2 1372 160 160 GLU HG2 H 2.970 0.04 2 1373 160 160 GLU HG3 H 2.330 0.04 2 1374 160 160 GLU C C 179.580 0.20 1 1375 160 160 GLU CA C 58.540 0.20 1 1376 160 160 GLU CB C 29.410 0.20 1 1377 160 160 GLU CG C 36.810 0.20 1 1378 160 160 GLU N N 121.010 0.20 1 1379 161 161 PHE H H 8.860 0.04 1 1380 161 161 PHE HA H 3.970 0.04 1 1381 161 161 PHE HB2 H 3.370 0.04 2 1382 161 161 PHE HB3 H 3.110 0.04 2 1383 161 161 PHE HD1 H 6.890 0.04 3 1384 161 161 PHE HE1 H 7.130 0.04 3 1385 161 161 PHE HZ H 7.020 0.04 1 1386 161 161 PHE C C 176.350 0.20 1 1387 161 161 PHE CA C 61.210 0.20 1 1388 161 161 PHE CB C 39.560 0.20 1 1389 161 161 PHE N N 123.540 0.20 1 1390 162 162 VAL H H 8.520 0.04 1 1391 162 162 VAL HA H 3.010 0.04 1 1392 162 162 VAL HB H 1.810 0.04 1 1393 162 162 VAL HG1 H 0.360 0.04 2 1394 162 162 VAL HG2 H 0.670 0.04 2 1395 162 162 VAL C C 179.120 0.20 1 1396 162 162 VAL CA C 66.740 0.20 1 1397 162 162 VAL CB C 31.140 0.20 1 1398 162 162 VAL CG1 C 23.360 0.20 1 1399 162 162 VAL CG2 C 21.130 0.20 1 1400 162 162 VAL N N 119.700 0.20 1 1401 163 163 ARG H H 7.470 0.04 1 1402 163 163 ARG HA H 3.880 0.04 1 1403 163 163 ARG HB2 H 1.820 0.04 2 1404 163 163 ARG C C 178.700 0.20 1 1405 163 163 ARG CA C 59.050 0.20 1 1406 163 163 ARG CB C 29.010 0.20 1 1407 163 163 ARG N N 119.540 0.20 1 1408 164 164 MET H H 7.720 0.04 1 1409 164 164 MET HA H 3.930 0.04 1 1410 164 164 MET HB2 H 2.200 0.04 2 1411 164 164 MET HB3 H 2.030 0.04 2 1412 164 164 MET HG2 H 2.290 0.04 2 1413 164 164 MET HG3 H 2.390 0.04 2 1414 164 164 MET C C 177.500 0.20 1 1415 164 164 MET CA C 58.450 0.20 1 1416 164 164 MET CB C 32.410 0.20 1 1417 164 164 MET CG C 31.670 0.20 1 1418 164 164 MET N N 119.200 0.20 1 1419 165 165 MET H H 7.620 0.04 1 1420 165 165 MET HA H 4.310 0.04 1 1421 165 165 MET HB2 H 1.670 0.04 2 1422 165 165 MET HB3 H 1.550 0.04 2 1423 165 165 MET HG2 H 1.870 0.04 2 1424 165 165 MET C C 176.940 0.20 1 1425 165 165 MET CA C 54.480 0.20 1 1426 165 165 MET CB C 31.190 0.20 1 1427 165 165 MET CG C 31.560 0.20 1 1428 165 165 MET N N 114.480 0.20 1 1429 166 166 SER H H 7.500 0.04 1 1430 166 166 SER HA H 4.520 0.04 1 1431 166 166 SER HB2 H 3.870 0.04 2 1432 166 166 SER C C 173.130 0.20 1 1433 166 166 SER CA C 58.270 0.20 1 1434 166 166 SER CB C 63.610 0.20 1 1435 166 166 SER N N 114.730 0.20 1 1436 167 167 ARG H H 7.280 0.04 1 1437 167 167 ARG HA H 4.070 0.04 1 1438 167 167 ARG HB2 H 1.710 0.04 2 1439 167 167 ARG CA C 57.490 0.20 1 1440 167 167 ARG CB C 31.050 0.20 1 1441 167 167 ARG N N 127.070 0.20 1 stop_ save_