data_16213 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A Complete NMR Spectral Assignment of the MESD Protein ; _BMRB_accession_number 16213 _BMRB_flat_file_name bmr16213.str _Entry_type original _Submission_date 2009-03-12 _Accession_date 2009-03-12 _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 Chen Jianglei . Sr. 2 Wang Jianjun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1133 "13C chemical shifts" 599 "15N chemical shifts" 190 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-06-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7248 'Conseverd region of Mesd' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure note: solution structure of the core domain of MESD that is essential for proper folding of LRP5/6.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20506034 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Jianglei . . 2 Li Qianqian . . 3 Liu Chia-Chen . . 4 Zhou Bei . . 5 Bu Guojun . . 6 Wang Jianjun . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 47 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 283 _Page_last 288 _Year 2010 _Details . loop_ _Keyword MESD stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MESD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MESD $MESD 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_MESD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MESD _Molecular_mass 22037.7 _Mol_thiol_state 'all free' loop_ _Biological_function chaperone stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 195 _Mol_residue_sequence ; ADTPGEATPPPRKKKDIRDY NDADMARLLEQWEKDDDIEE GDLPEHKRPSAPIDFSKLDP GKPESILKMTKKGKTLMMFV TVSGNPTEKETEEITSLWQG SLFNANYDVQRFIVGSDRAI FMLRDGSYAWEIKDFLVSQD RCAEVTLEGQMYPGKGGGSK EKNKTKPEKAKKKEGDPKPR ASKEDNRAGSRREDL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 THR 4 PRO 5 GLY 6 GLU 7 ALA 8 THR 9 PRO 10 PRO 11 PRO 12 ARG 13 LYS 14 LYS 15 LYS 16 ASP 17 ILE 18 ARG 19 ASP 20 TYR 21 ASN 22 ASP 23 ALA 24 ASP 25 MET 26 ALA 27 ARG 28 LEU 29 LEU 30 GLU 31 GLN 32 TRP 33 GLU 34 LYS 35 ASP 36 ASP 37 ASP 38 ILE 39 GLU 40 GLU 41 GLY 42 ASP 43 LEU 44 PRO 45 GLU 46 HIS 47 LYS 48 ARG 49 PRO 50 SER 51 ALA 52 PRO 53 ILE 54 ASP 55 PHE 56 SER 57 LYS 58 LEU 59 ASP 60 PRO 61 GLY 62 LYS 63 PRO 64 GLU 65 SER 66 ILE 67 LEU 68 LYS 69 MET 70 THR 71 LYS 72 LYS 73 GLY 74 LYS 75 THR 76 LEU 77 MET 78 MET 79 PHE 80 VAL 81 THR 82 VAL 83 SER 84 GLY 85 ASN 86 PRO 87 THR 88 GLU 89 LYS 90 GLU 91 THR 92 GLU 93 GLU 94 ILE 95 THR 96 SER 97 LEU 98 TRP 99 GLN 100 GLY 101 SER 102 LEU 103 PHE 104 ASN 105 ALA 106 ASN 107 TYR 108 ASP 109 VAL 110 GLN 111 ARG 112 PHE 113 ILE 114 VAL 115 GLY 116 SER 117 ASP 118 ARG 119 ALA 120 ILE 121 PHE 122 MET 123 LEU 124 ARG 125 ASP 126 GLY 127 SER 128 TYR 129 ALA 130 TRP 131 GLU 132 ILE 133 LYS 134 ASP 135 PHE 136 LEU 137 VAL 138 SER 139 GLN 140 ASP 141 ARG 142 CYS 143 ALA 144 GLU 145 VAL 146 THR 147 LEU 148 GLU 149 GLY 150 GLN 151 MET 152 TYR 153 PRO 154 GLY 155 LYS 156 GLY 157 GLY 158 GLY 159 SER 160 LYS 161 GLU 162 LYS 163 ASN 164 LYS 165 THR 166 LYS 167 PRO 168 GLU 169 LYS 170 ALA 171 LYS 172 LYS 173 LYS 174 GLU 175 GLY 176 ASP 177 PRO 178 LYS 179 PRO 180 ARG 181 ALA 182 SER 183 LYS 184 GLU 185 ASP 186 ASN 187 ARG 188 ALA 189 GLY 190 SER 191 ARG 192 ARG 193 GLU 194 ASP 195 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 11076 "MESD polymer chain" 71.79 141 100.00 100.00 5.97e-98 PDB 2KGL "Nmr Solution Structure Of Mesd" 100.00 195 100.00 100.00 1.85e-138 PDB 2KMI "Mesd(12-155), The Core Structural Domain Of Mesd That Is Essential For Proper Folding Of Lrp56" 74.36 145 100.00 100.00 1.33e-101 PDB 2RQK "Nmr Solution Structure Of Mesoderm Development (Mesd) - Closed Conformation" 71.79 141 100.00 100.00 5.97e-98 PDB 2RQM "Nmr Solution Structure Of Mesoderm Development (Mesd) - Open Conformation" 71.79 141 100.00 100.00 5.97e-98 DBJ BAB25865 "unnamed protein product [Mus musculus]" 82.05 189 100.00 100.00 7.91e-113 DBJ BAC27617 "unnamed protein product [Mus musculus]" 100.00 224 99.49 99.49 1.24e-136 DBJ BAC36471 "unnamed protein product [Mus musculus]" 100.00 224 100.00 100.00 5.87e-138 DBJ BAC36476 "unnamed protein product [Mus musculus]" 90.77 237 100.00 100.00 1.26e-124 GB AAG33621 "MESDC2 [Mus musculus]" 100.00 224 100.00 100.00 5.87e-138 GB AAH14742 "Mesdc2 protein [Mus musculus]" 87.69 171 100.00 100.00 7.54e-120 GB AAH85892 "Mesoderm development candidate 2 [Rattus norvegicus]" 100.00 224 96.92 97.95 3.41e-134 GB EDL06865 "mesoderm development candiate 2, isoform CRA_a, partial [Mus musculus]" 54.36 106 100.00 100.00 3.68e-70 GB EDL06866 "mesoderm development candiate 2, isoform CRA_b, partial [Mus musculus]" 100.00 227 100.00 100.00 4.96e-138 REF NP_001008346 "LDLR chaperone MESD precursor [Rattus norvegicus]" 100.00 224 96.92 97.95 3.41e-134 REF NP_075892 "LDLR chaperone MESD precursor [Mus musculus]" 100.00 224 100.00 100.00 5.87e-138 SP Q5U2R7 "RecName: Full=LDLR chaperone MESD; AltName: Full=Mesoderm development candidate 2; AltName: Full=Mesoderm development protein; " 100.00 224 96.92 97.95 3.41e-134 SP Q9ERE7 "RecName: Full=LDLR chaperone MESD; AltName: Full=Mesoderm development candidate 2; AltName: Full=Mesoderm development protein; " 100.00 224 100.00 100.00 5.87e-138 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MESD Mouse 10090 Eukaryota Metazoa Mus musculus 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 $MESD 'recombinant technology' . Escherichia coli BL21(DE3) pTWIN1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N/13C labeled Mesd in 25mM Sodium Chloride, 25 mM phosphate buffer containing 0.1 mM NaN3, 10 mM EDTA and 10 mM DTT, pH6.8.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MESD . mM 0.8 1.0 '[U-13C; U-15N]' 'sodium chloride' 25 mM . . 'natural abundance' EDTA 10 mM . . 'natural abundance' DTT 10 mM . . 'natural abundance' 'sodium azide' 0.1 mM . . 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCTOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCTOCSY' _Sample_label $sample_1 save_ save_3D_CCCTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCCTOCSY' _Sample_label $sample_1 save_ save_4D_13C/15N-edited_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C/15N-edited NOESY' _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 pH 6.8 . pH pressure 1 . atm temperature 303 . 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 0.5 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.03 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.5 . 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCTOCSY' '3D CCCTOCSY' '4D 13C/15N-edited NOESY' 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 MESD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA CA C 49.342 . 1 2 1 1 ALA CB C 20.549 . 1 3 1 1 ALA N N 126.624 . 1 4 2 2 ASP HA H 4.357 . 1 5 2 2 ASP HB2 H 2.381 . 2 6 2 2 ASP HB3 H 2.381 . 2 7 2 2 ASP CA C 52.310 . 1 8 2 2 ASP CB C 42.466 . 1 9 3 3 THR H H 8.137 . 1 10 3 3 THR HA H 4.514 . 1 11 3 3 THR HB H 4.087 . 1 12 3 3 THR HG2 H 1.203 . 1 13 3 3 THR CA C 59.810 . 1 14 3 3 THR CB C 69.654 . 1 15 3 3 THR CG2 C 21.841 . 1 16 3 3 THR N N 116.347 . 1 17 4 4 PRO HA H 4.394 . 1 18 4 4 PRO HB2 H 2.312 . 2 19 4 4 PRO HB3 H 2.065 . 2 20 4 4 PRO HD2 H 3.837 . 2 21 4 4 PRO HD3 H 3.712 . 2 22 4 4 PRO HG2 H 1.972 . 2 23 4 4 PRO HG3 H 1.972 . 2 24 4 4 PRO CA C 63.560 . 1 25 4 4 PRO CB C 32.334 . 1 26 4 4 PRO CD C 51.213 . 1 27 4 4 PRO CG C 27.555 . 1 28 5 5 GLY H H 8.430 . 1 29 5 5 GLY HA2 H 3.920 . 2 30 5 5 GLY HA3 H 3.868 . 2 31 5 5 GLY CA C 45.418 . 1 32 5 5 GLY N N 109.222 . 1 33 6 6 GLU H H 8.125 . 1 34 6 6 GLU HA H 4.286 . 1 35 6 6 GLU HB2 H 2.000 . 2 36 6 6 GLU HB3 H 1.718 . 2 37 6 6 GLU HG2 H 2.231 . 2 38 6 6 GLU HG3 H 2.212 . 2 39 6 6 GLU CA C 56.460 . 1 40 6 6 GLU CB C 30.747 . 1 41 6 6 GLU CG C 36.372 . 1 42 6 6 GLU N N 120.097 . 1 43 7 7 ALA H H 8.348 . 1 44 7 7 ALA HA H 4.345 . 1 45 7 7 ALA HB H 1.360 . 1 46 7 7 ALA CA C 52.428 . 1 47 7 7 ALA CB C 19.493 . 1 48 7 7 ALA N N 125.310 . 1 49 8 8 THR H H 8.148 . 1 50 8 8 THR HA H 4.561 . 1 51 8 8 THR HB H 4.082 . 1 52 8 8 THR HG2 H 1.215 . 1 53 8 8 THR CA C 59.810 . 1 54 8 8 THR CB C 69.914 . 1 55 8 8 THR CG2 C 22.110 . 1 56 8 8 THR N N 117.037 . 1 57 11 11 PRO HA H 4.395 . 1 58 11 11 PRO HB2 H 2.215 . 2 59 11 11 PRO HB3 H 2.215 . 2 60 11 11 PRO HD2 H 3.739 . 2 61 11 11 PRO HD3 H 3.585 . 2 62 11 11 PRO HG2 H 1.978 . 2 63 11 11 PRO HG3 H 1.831 . 2 64 11 11 PRO CA C 63.166 . 1 65 11 11 PRO CB C 32.266 . 1 66 11 11 PRO CD C 50.581 . 1 67 11 11 PRO CG C 27.575 . 1 68 12 12 ARG H H 8.055 . 1 69 12 12 ARG HA H 4.209 . 1 70 12 12 ARG HB2 H 1.959 . 2 71 12 12 ARG HB3 H 1.913 . 2 72 12 12 ARG HD2 H 3.154 . 2 73 12 12 ARG HD3 H 2.707 . 2 74 12 12 ARG HG2 H 1.650 . 2 75 12 12 ARG HG3 H 1.392 . 2 76 12 12 ARG CA C 56.997 . 1 77 12 12 ARG CB C 30.279 . 1 78 12 12 ARG CD C 41.030 . 1 79 12 12 ARG CG C 27.350 . 1 80 12 12 ARG N N 120.583 . 1 81 13 13 LYS H H 8.254 . 1 82 13 13 LYS HA H 4.272 . 1 83 13 13 LYS HB2 H 1.812 . 2 84 13 13 LYS HB3 H 1.844 . 2 85 13 13 LYS HD2 H 1.691 . 2 86 13 13 LYS HD3 H 1.678 . 2 87 13 13 LYS HE2 H 2.730 . 2 88 13 13 LYS HE3 H 2.592 . 2 89 13 13 LYS HG2 H 1.416 . 2 90 13 13 LYS HG3 H 1.412 . 2 91 13 13 LYS CA C 56.528 . 1 92 13 13 LYS CB C 31.744 . 1 93 13 13 LYS CD C 29.341 . 1 94 13 13 LYS CE C 41.407 . 1 95 13 13 LYS CG C 24.954 . 1 96 13 13 LYS N N 121.597 . 1 97 14 14 LYS H H 8.466 . 1 98 14 14 LYS HA H 4.277 . 1 99 14 14 LYS HB2 H 1.781 . 2 100 14 14 LYS HB3 H 1.781 . 2 101 14 14 LYS HD2 H 1.665 . 2 102 14 14 LYS HD3 H 1.665 . 2 103 14 14 LYS HE2 H 2.978 . 2 104 14 14 LYS HE3 H 2.978 . 2 105 14 14 LYS HG2 H 1.400 . 2 106 14 14 LYS HG3 H 1.400 . 2 107 14 14 LYS CA C 56.460 . 1 108 14 14 LYS CB C 33.458 . 1 109 14 14 LYS CD C 29.434 . 1 110 14 14 LYS CE C 42.323 . 1 111 14 14 LYS CG C 24.988 . 1 112 14 14 LYS N N 122.428 . 1 113 15 15 LYS H H 8.359 . 1 114 15 15 LYS HA H 4.246 . 1 115 15 15 LYS HB2 H 1.747 . 2 116 15 15 LYS HB3 H 1.747 . 2 117 15 15 LYS HD2 H 1.593 . 2 118 15 15 LYS HD3 H 1.553 . 2 119 15 15 LYS HE2 H 2.957 . 2 120 15 15 LYS HE3 H 2.957 . 2 121 15 15 LYS HG2 H 1.400 . 2 122 15 15 LYS HG3 H 1.398 . 2 123 15 15 LYS CA C 56.528 . 1 124 15 15 LYS CB C 33.091 . 1 125 15 15 LYS CD C 26.997 . 1 126 15 15 LYS CE C 42.232 . 1 127 15 15 LYS CG C 24.800 . 1 128 15 15 LYS N N 123.097 . 1 129 16 16 ASP H H 8.406 . 1 130 16 16 ASP HA H 4.624 . 1 131 16 16 ASP HB2 H 2.724 . 2 132 16 16 ASP HB3 H 2.681 . 2 133 16 16 ASP CA C 54.185 . 1 134 16 16 ASP CB C 41.966 . 1 135 16 16 ASP N N 122.722 . 1 136 17 17 ILE H H 8.062 . 1 137 17 17 ILE HA H 3.857 . 1 138 17 17 ILE HB H 1.867 . 1 139 17 17 ILE HD1 H 0.799 . 1 140 17 17 ILE HG12 H 1.395 . 9 141 17 17 ILE HG13 H 1.143 . 9 142 17 17 ILE HG2 H 0.840 . 1 143 17 17 ILE CA C 61.907 . 1 144 17 17 ILE CB C 38.826 . 1 145 17 17 ILE CD1 C 13.139 . 1 146 17 17 ILE CG1 C 27.487 . 1 147 17 17 ILE CG2 C 17.957 . 1 148 17 17 ILE N N 121.369 . 1 149 18 18 ARG H H 8.348 . 1 150 18 18 ARG HA H 4.236 . 1 151 18 18 ARG HB2 H 1.713 . 2 152 18 18 ARG HB3 H 1.772 . 2 153 18 18 ARG HD2 H 3.132 . 2 154 18 18 ARG HD3 H 3.132 . 2 155 18 18 ARG HG2 H 1.581 . 2 156 18 18 ARG HG3 H 1.543 . 2 157 18 18 ARG CA C 56.528 . 1 158 18 18 ARG CB C 30.982 . 1 159 18 18 ARG CD C 43.595 . 1 160 18 18 ARG CG C 27.236 . 1 161 18 18 ARG N N 121.785 . 1 162 19 19 ASP H H 8.148 . 1 163 19 19 ASP HA H 4.584 . 1 164 19 19 ASP HB2 H 2.675 . 2 165 19 19 ASP HB3 H 2.593 . 2 166 19 19 ASP CA C 54.533 . 1 167 19 19 ASP CB C 41.489 . 1 168 19 19 ASP N N 120.097 . 1 169 20 20 TYR H H 7.914 . 1 170 20 20 TYR HA H 4.510 . 1 171 20 20 TYR HB2 H 3.023 . 2 172 20 20 TYR HB3 H 2.968 . 2 173 20 20 TYR CA C 58.050 . 1 174 20 20 TYR CB C 38.812 . 1 175 20 20 TYR N N 120.097 . 1 176 21 21 ASN H H 8.488 . 1 177 21 21 ASN HA H 4.692 . 1 178 21 21 ASN HB2 H 2.839 . 2 179 21 21 ASN HB3 H 2.619 . 2 180 21 21 ASN HD21 H 7.592 . 2 181 21 21 ASN HD22 H 6.838 . 2 182 21 21 ASN CA C 53.239 . 1 183 21 21 ASN CB C 39.341 . 1 184 21 21 ASN N N 120.097 . 1 185 21 21 ASN ND2 N 112.901 . 1 186 22 22 ASP H H 8.207 . 1 187 22 22 ASP HA H 4.417 . 1 188 22 22 ASP HB2 H 2.657 . 2 189 22 22 ASP HB3 H 2.615 . 2 190 22 22 ASP CA C 55.625 . 1 191 22 22 ASP CB C 41.264 . 1 192 22 22 ASP N N 120.772 . 1 193 23 23 ALA H H 8.207 . 1 194 23 23 ALA HA H 4.161 . 1 195 23 23 ALA HB H 1.406 . 1 196 23 23 ALA CA C 54.185 . 1 197 23 23 ALA CB C 18.766 . 1 198 23 23 ALA N N 123.472 . 1 199 24 24 ASP H H 8.184 . 1 200 24 24 ASP HA H 4.470 . 1 201 24 24 ASP HB2 H 2.646 . 2 202 24 24 ASP HB3 H 2.616 . 2 203 24 24 ASP CA C 55.990 . 1 204 24 24 ASP CB C 41.060 . 1 205 24 24 ASP N N 118.810 . 1 206 25 25 MET H H 8.101 . 1 207 25 25 MET HA H 4.206 . 1 208 25 25 MET HB2 H 2.012 . 2 209 25 25 MET HB3 H 2.012 . 2 210 25 25 MET HE H 1.399 . 1 211 25 25 MET HG2 H 2.436 . 2 212 25 25 MET HG3 H 2.428 . 2 213 25 25 MET CA C 57.000 . 1 214 25 25 MET CB C 32.397 . 1 215 25 25 MET CE C 18.880 . 1 216 25 25 MET CG C 32.154 . 1 217 25 25 MET N N 119.722 . 1 218 26 26 ALA H H 8.055 . 1 219 26 26 ALA HA H 4.046 . 1 220 26 26 ALA HB H 1.429 . 1 221 26 26 ALA CA C 54.607 . 1 222 26 26 ALA CB C 18.510 . 1 223 26 26 ALA N N 121.972 . 1 224 27 27 ARG H H 7.726 . 1 225 27 27 ARG HA H 4.120 . 1 226 27 27 ARG HB2 H 1.872 . 2 227 27 27 ARG HB3 H 1.866 . 2 228 27 27 ARG HD2 H 3.194 . 2 229 27 27 ARG HD3 H 3.155 . 2 230 27 27 ARG HG2 H 1.634 . 2 231 27 27 ARG HG3 H 1.607 . 2 232 27 27 ARG CA C 57.894 . 1 233 27 27 ARG CB C 30.309 . 1 234 27 27 ARG CD C 43.404 . 1 235 27 27 ARG CG C 27.404 . 1 236 27 27 ARG N N 117.472 . 1 237 28 28 LEU H H 7.750 . 1 238 28 28 LEU HA H 4.050 . 1 239 28 28 LEU HB2 H 1.585 . 2 240 28 28 LEU HB3 H 1.437 . 2 241 28 28 LEU HD1 H 0.745 . 1 242 28 28 LEU HD1 H 0.696 . 1 243 28 28 LEU HD2 H 0.720 . 1 244 28 28 LEU HG H 1.355 . 1 245 28 28 LEU CA C 56.982 . 1 246 28 28 LEU CB C 41.997 . 1 247 28 28 LEU CD1 C 24.325 . 2 248 28 28 LEU CD2 C 24.745 . 2 249 28 28 LEU CG C 26.997 . 1 250 28 28 LEU N N 121.174 . 1 251 29 29 LEU H H 7.914 . 1 252 29 29 LEU HA H 4.116 . 1 253 29 29 LEU HB2 H 1.668 . 2 254 29 29 LEU HB3 H 1.631 . 2 255 29 29 LEU HD1 H 0.788 . 1 256 29 29 LEU HD2 H 0.788 . 1 257 29 29 LEU HG H 1.631 . 1 258 29 29 LEU CA C 56.997 . 1 259 29 29 LEU CB C 41.997 . 1 260 29 29 LEU CD1 C 25.122 . 2 261 29 29 LEU CD2 C 23.716 . 2 262 29 29 LEU CG C 27.148 . 1 263 29 29 LEU N N 118.810 . 1 264 30 30 GLU H H 7.890 . 1 265 30 30 GLU HA H 4.100 . 1 266 30 30 GLU HB2 H 2.053 . 2 267 30 30 GLU HB3 H 1.983 . 2 268 30 30 GLU HG2 H 2.362 . 2 269 30 30 GLU HG3 H 2.252 . 2 270 30 30 GLU CA C 57.990 . 1 271 30 30 GLU CB C 29.576 . 1 272 30 30 GLU CG C 36.372 . 1 273 30 30 GLU N N 118.597 . 1 274 31 31 GLN H H 7.936 . 1 275 31 31 GLN HA H 4.180 . 1 276 31 31 GLN HB2 H 2.096 . 2 277 31 31 GLN HB3 H 2.096 . 2 278 31 31 GLN HE21 H 7.479 . 2 279 31 31 GLN HE22 H 6.838 . 2 280 31 31 GLN HG2 H 2.320 . 2 281 31 31 GLN HG3 H 2.320 . 2 282 31 31 GLN CA C 56.520 . 1 283 31 31 GLN CB C 28.846 . 1 284 31 31 GLN CG C 33.973 . 1 285 31 31 GLN N N 118.597 . 1 286 31 31 GLN NE2 N 112.901 . 1 287 32 32 TRP H H 7.949 . 1 288 32 32 TRP HA H 4.583 . 1 289 32 32 TRP HB2 H 3.319 . 2 290 32 32 TRP HB3 H 3.248 . 2 291 32 32 TRP HD1 H 7.192 . 1 292 32 32 TRP HE1 H 10.071 . 1 293 32 32 TRP HE3 H 7.506 . 1 294 32 32 TRP HH2 H 7.045 . 1 295 32 32 TRP HZ2 H 7.351 . 1 296 32 32 TRP CA C 57.935 . 1 297 32 32 TRP CB C 29.654 . 1 298 32 32 TRP N N 120.847 . 1 299 32 32 TRP NE1 N 128.856 . 1 300 33 33 GLU H H 8.066 . 1 301 33 33 GLU HA H 4.181 . 1 302 33 33 GLU HB2 H 1.970 . 2 303 33 33 GLU HB3 H 1.964 . 2 304 33 33 GLU HG2 H 2.202 . 2 305 33 33 GLU HG3 H 2.200 . 2 306 33 33 GLU CA C 57.486 . 1 307 33 33 GLU CB C 30.279 . 1 308 33 33 GLU CG C 36.578 . 1 309 33 33 GLU N N 120.097 . 1 310 34 34 LYS H H 7.867 . 1 311 34 34 LYS HA H 4.220 . 1 312 34 34 LYS HB2 H 1.806 . 2 313 34 34 LYS HB3 H 1.819 . 2 314 34 34 LYS HD2 H 1.659 . 2 315 34 34 LYS HD3 H 1.651 . 2 316 34 34 LYS HE2 H 2.991 . 2 317 34 34 LYS HE3 H 2.962 . 2 318 34 34 LYS HG2 H 1.461 . 2 319 34 34 LYS HG3 H 1.443 . 2 320 34 34 LYS CA C 56.883 . 1 321 34 34 LYS CB C 33.312 . 1 322 34 34 LYS CD C 29.203 . 1 323 34 34 LYS CE C 41.562 . 1 324 34 34 LYS CG C 24.653 . 1 325 34 34 LYS N N 120.583 . 1 326 35 35 ASP H H 8.277 . 1 327 35 35 ASP HA H 4.598 . 1 328 35 35 ASP HB2 H 2.724 . 2 329 35 35 ASP HB3 H 2.581 . 2 330 35 35 ASP CA C 54.659 . 1 331 35 35 ASP CB C 41.511 . 1 332 35 35 ASP N N 121.597 . 1 333 36 36 ASP H H 8.219 . 1 334 36 36 ASP HA H 4.577 . 1 335 36 36 ASP HB2 H 2.652 . 2 336 36 36 ASP HB3 H 2.606 . 2 337 36 36 ASP CA C 54.653 . 1 338 36 36 ASP CB C 41.529 . 1 339 36 36 ASP N N 120.472 . 1 340 37 37 ASP H H 8.289 . 1 341 37 37 ASP HA H 4.600 . 1 342 37 37 ASP HB2 H 2.697 . 2 343 37 37 ASP HB3 H 2.602 . 2 344 37 37 ASP CA C 54.425 . 1 345 37 37 ASP CB C 41.210 . 1 346 37 37 ASP N N 120.097 . 1 347 38 38 ILE H H 7.926 . 1 348 38 38 ILE HA H 4.170 . 1 349 38 38 ILE HB H 1.852 . 1 350 38 38 ILE HD1 H 0.824 . 1 351 38 38 ILE HG12 H 1.449 . 9 352 38 38 ILE HG13 H 1.166 . 9 353 38 38 ILE HG2 H 0.893 . 1 354 38 38 ILE CA C 61.216 . 1 355 38 38 ILE CB C 39.185 . 1 356 38 38 ILE CD1 C 13.355 . 1 357 38 38 ILE CG1 C 27.456 . 1 358 38 38 ILE CG2 C 17.629 . 1 359 38 38 ILE N N 120.285 . 1 360 39 39 GLU H H 8.453 . 1 361 39 39 GLU HA H 4.301 . 1 362 39 39 GLU HB2 H 2.044 . 2 363 39 39 GLU HB3 H 1.932 . 2 364 39 39 GLU HG2 H 2.248 . 2 365 39 39 GLU HG3 H 2.243 . 2 366 39 39 GLU CA C 56.528 . 1 367 39 39 GLU CB C 30.579 . 1 368 39 39 GLU CG C 36.372 . 1 369 39 39 GLU N N 125.310 . 1 370 40 40 GLU H H 8.453 . 1 371 40 40 GLU HA H 4.235 . 1 372 40 40 GLU HB2 H 1.990 . 2 373 40 40 GLU HB3 H 1.974 . 2 374 40 40 GLU HG2 H 2.273 . 2 375 40 40 GLU HG3 H 2.246 . 2 376 40 40 GLU CA C 56.999 . 1 377 40 40 GLU CB C 30.729 . 1 378 40 40 GLU CG C 36.372 . 1 379 40 40 GLU N N 122.347 . 1 380 41 41 GLY H H 8.389 . 1 381 41 41 GLY HA2 H 3.938 . 2 382 41 41 GLY HA3 H 3.936 . 2 383 41 41 GLY CA C 45.310 . 1 384 41 41 GLY N N 109.222 . 1 385 42 42 ASP H H 8.195 . 1 386 42 42 ASP HA H 4.631 . 1 387 42 42 ASP HB2 H 2.693 . 2 388 42 42 ASP HB3 H 2.598 . 2 389 42 42 ASP CA C 54.234 . 1 390 42 42 ASP CB C 41.534 . 1 391 42 42 ASP N N 120.097 . 1 392 43 43 LEU H H 8.119 . 1 393 43 43 LEU HA H 4.549 . 1 394 43 43 LEU HB2 H 1.491 . 2 395 43 43 LEU HB3 H 1.489 . 2 396 43 43 LEU HD1 H 0.865 . 1 397 43 43 LEU HD2 H 0.829 . 1 398 43 43 LEU HG H 1.636 . 1 399 43 43 LEU CA C 53.156 . 1 400 43 43 LEU CB C 41.997 . 1 401 43 43 LEU CD1 C 25.591 . 2 402 43 43 LEU CD2 C 23.716 . 2 403 43 43 LEU CG C 26.997 . 1 404 43 43 LEU N N 122.722 . 1 405 44 44 PRO HA H 4.357 . 1 406 44 44 PRO HB2 H 2.289 . 2 407 44 44 PRO HB3 H 2.282 . 2 408 44 44 PRO HD2 H 3.834 . 2 409 44 44 PRO HD3 H 3.619 . 2 410 44 44 PRO HG2 H 1.995 . 2 411 44 44 PRO HG3 H 1.813 . 2 412 44 44 PRO CA C 63.560 . 1 413 44 44 PRO CB C 32.131 . 1 414 44 44 PRO CD C 50.435 . 1 415 44 44 PRO CG C 27.466 . 1 416 45 45 GLU H H 8.628 . 1 417 45 45 GLU HA H 4.084 . 1 418 45 45 GLU HB2 H 1.937 . 2 419 45 45 GLU HB3 H 1.936 . 2 420 45 45 GLU HG2 H 2.152 . 2 421 45 45 GLU HG3 H 2.148 . 2 422 45 45 GLU CA C 57.935 . 1 423 45 45 GLU CB C 29.810 . 1 424 45 45 GLU CG C 36.224 . 1 425 45 45 GLU N N 119.401 . 1 426 46 46 HIS H H 8.090 . 1 427 46 46 HIS HA H 4.603 . 1 428 46 46 HIS HB2 H 3.132 . 2 429 46 46 HIS HB3 H 3.132 . 2 430 46 46 HIS CA C 56.099 . 1 431 46 46 HIS CB C 30.330 . 1 432 46 46 HIS N N 118.222 . 1 433 47 47 LYS H H 7.961 . 1 434 47 47 LYS HA H 4.354 . 1 435 47 47 LYS HB2 H 1.832 . 2 436 47 47 LYS HB3 H 1.717 . 2 437 47 47 LYS HD2 H 1.699 . 2 438 47 47 LYS HD3 H 1.682 . 2 439 47 47 LYS HE2 H 2.755 . 2 440 47 47 LYS HE3 H 2.755 . 2 441 47 47 LYS HG2 H 1.340 . 2 442 47 47 LYS HG3 H 1.340 . 2 443 47 47 LYS CA C 56.082 . 1 444 47 47 LYS CB C 33.131 . 1 445 47 47 LYS CD C 29.109 . 1 446 47 47 LYS CE C 41.997 . 1 447 47 47 LYS CG C 24.746 . 1 448 47 47 LYS N N 121.484 . 1 449 48 48 ARG H H 8.406 . 1 450 48 48 ARG HA H 4.331 . 1 451 48 48 ARG HB2 H 1.678 . 2 452 48 48 ARG HB3 H 1.678 . 2 453 48 48 ARG HD2 H 2.883 . 2 454 48 48 ARG HD3 H 2.883 . 2 455 48 48 ARG HG2 H 1.518 . 2 456 48 48 ARG HG3 H 1.518 . 2 457 48 48 ARG CA C 56.420 . 1 458 48 48 ARG CB C 33.091 . 1 459 48 48 ARG CD C 42.130 . 1 460 48 48 ARG CG C 27.443 . 1 461 48 48 ARG N N 123.472 . 1 462 49 49 PRO HA H 4.450 . 1 463 49 49 PRO HB2 H 2.269 . 2 464 49 49 PRO HB3 H 2.269 . 2 465 49 49 PRO HD2 H 3.787 . 2 466 49 49 PRO HD3 H 3.610 . 2 467 49 49 PRO HG2 H 2.009 . 2 468 49 49 PRO HG3 H 1.913 . 2 469 49 49 PRO CA C 63.091 . 1 470 49 49 PRO CB C 32.272 . 1 471 49 49 PRO CD C 50.748 . 1 472 49 49 PRO CG C 27.625 . 1 473 50 50 SER H H 8.359 . 1 474 50 50 SER HA H 4.397 . 1 475 50 50 SER HB2 H 3.835 . 2 476 50 50 SER HB3 H 3.835 . 2 477 50 50 SER CA C 58.339 . 1 478 50 50 SER CB C 63.908 . 1 479 50 50 SER N N 116.347 . 1 480 51 51 ALA H H 8.207 . 1 481 51 51 ALA HA H 4.599 . 1 482 51 51 ALA HB H 1.329 . 1 483 51 51 ALA CA C 50.700 . 1 484 51 51 ALA CB C 18.560 . 1 485 51 51 ALA N N 126.472 . 1 486 52 52 PRO HA H 4.405 . 1 487 52 52 PRO HB2 H 2.420 . 2 488 52 52 PRO HB3 H 2.227 . 2 489 52 52 PRO HD2 H 3.771 . 2 490 52 52 PRO HD3 H 3.593 . 2 491 52 52 PRO HG2 H 1.974 . 2 492 52 52 PRO HG3 H 1.909 . 2 493 52 52 PRO CA C 63.120 . 1 494 52 52 PRO CB C 32.117 . 1 495 52 52 PRO CD C 50.435 . 1 496 52 52 PRO CG C 27.638 . 1 497 53 53 ILE H H 8.066 . 1 498 53 53 ILE HA H 3.944 . 1 499 53 53 ILE HB H 1.584 . 1 500 53 53 ILE HD1 H 0.786 . 1 501 53 53 ILE HG12 H 1.395 . 9 502 53 53 ILE HG13 H 1.078 . 9 503 53 53 ILE HG2 H 0.553 . 1 504 53 53 ILE CA C 60.940 . 1 505 53 53 ILE CB C 39.250 . 1 506 53 53 ILE CD1 C 13.404 . 1 507 53 53 ILE CG1 C 27.466 . 1 508 53 53 ILE CG2 C 17.622 . 1 509 53 53 ILE N N 120.583 . 1 510 54 54 ASP H H 8.137 . 1 511 54 54 ASP HA H 4.628 . 1 512 54 54 ASP HB2 H 2.709 . 2 513 54 54 ASP HB3 H 2.521 . 2 514 54 54 ASP CA C 53.250 . 1 515 54 54 ASP CB C 41.060 . 1 516 54 54 ASP N N 124.128 . 1 517 55 55 PHE H H 8.359 . 1 518 55 55 PHE HA H 4.409 . 1 519 55 55 PHE HB2 H 3.212 . 2 520 55 55 PHE HB3 H 2.967 . 2 521 55 55 PHE CA C 59.000 . 1 522 55 55 PHE CB C 39.196 . 1 523 55 55 PHE N N 123.097 . 1 524 56 56 SER H H 8.418 . 1 525 56 56 SER HA H 4.310 . 1 526 56 56 SER HB2 H 3.888 . 2 527 56 56 SER HB3 H 3.882 . 2 528 56 56 SER CA C 59.810 . 1 529 56 56 SER CB C 63.543 . 1 530 56 56 SER N N 116.347 . 1 531 57 57 LYS H H 7.761 . 1 532 57 57 LYS HA H 4.339 . 1 533 57 57 LYS HB2 H 1.888 . 2 534 57 57 LYS HB3 H 1.721 . 2 535 57 57 LYS HD2 H 1.671 . 2 536 57 57 LYS HD3 H 1.671 . 2 537 57 57 LYS HE2 H 2.978 . 2 538 57 57 LYS HE3 H 2.978 . 2 539 57 57 LYS HG2 H 1.398 . 2 540 57 57 LYS HG3 H 1.343 . 2 541 57 57 LYS CA C 56.060 . 1 542 57 57 LYS CB C 32.689 . 1 543 57 57 LYS CD C 29.247 . 1 544 57 57 LYS CE C 42.413 . 1 545 57 57 LYS CG C 24.937 . 1 546 57 57 LYS N N 121.174 . 1 547 58 58 LEU H H 7.679 . 1 548 58 58 LEU HA H 4.255 . 1 549 58 58 LEU HB2 H 1.592 . 2 550 58 58 LEU HB3 H 1.506 . 2 551 58 58 LEU HD1 H 0.842 . 1 552 58 58 LEU HD1 H 0.817 . 1 553 58 58 LEU HD2 H 0.807 . 1 554 58 58 LEU HG H 1.587 . 1 555 58 58 LEU CA C 55.130 . 1 556 58 58 LEU CB C 42.553 . 1 557 58 58 LEU CD1 C 25.603 . 2 558 58 58 LEU CD2 C 23.737 . 2 559 58 58 LEU CG C 26.997 . 1 560 58 58 LEU N N 121.765 . 1 561 59 59 ASP H H 8.254 . 1 562 59 59 ASP HA H 4.862 . 1 563 59 59 ASP HB2 H 2.756 . 2 564 59 59 ASP HB3 H 2.569 . 2 565 59 59 ASP CA C 51.841 . 1 566 59 59 ASP CB C 41.529 . 1 567 59 59 ASP N N 122.946 . 1 568 60 60 PRO HA H 4.326 . 1 569 60 60 PRO HB2 H 2.147 . 2 570 60 60 PRO HB3 H 1.949 . 2 571 60 60 PRO HD2 H 3.823 . 2 572 60 60 PRO HD3 H 3.818 . 2 573 60 60 PRO HG2 H 1.973 . 2 574 60 60 PRO HG3 H 1.968 . 2 575 60 60 PRO CA C 63.656 . 1 576 60 60 PRO CB C 32.172 . 1 577 60 60 PRO CD C 50.903 . 1 578 60 60 PRO CG C 27.006 . 1 579 61 61 GLY H H 8.512 . 1 580 61 61 GLY HA2 H 3.999 . 2 581 61 61 GLY HA3 H 3.809 . 2 582 61 61 GLY CA C 45.278 . 1 583 61 61 GLY N N 107.347 . 1 584 62 62 LYS H H 7.797 . 1 585 62 62 LYS HA H 4.627 . 1 586 62 62 LYS HB2 H 1.835 . 2 587 62 62 LYS HB3 H 1.762 . 2 588 62 62 LYS HD2 H 1.584 . 2 589 62 62 LYS HD3 H 1.397 . 2 590 62 62 LYS HE2 H 2.750 . 2 591 62 62 LYS HE3 H 2.560 . 2 592 62 62 LYS HG2 H 1.397 . 2 593 62 62 LYS HG3 H 1.397 . 2 594 62 62 LYS CA C 54.185 . 1 595 62 62 LYS CB C 32.741 . 1 596 62 62 LYS CD C 27.466 . 1 597 62 62 LYS CE C 41.514 . 1 598 62 62 LYS CG C 24.657 . 1 599 62 62 LYS N N 121.174 . 1 600 63 63 PRO HA H 4.254 . 1 601 63 63 PRO HB2 H 2.187 . 2 602 63 63 PRO HB3 H 1.814 . 2 603 63 63 PRO HD2 H 3.727 . 2 604 63 63 PRO HD3 H 3.677 . 2 605 63 63 PRO HG2 H 2.002 . 2 606 63 63 PRO HG3 H 2.002 . 2 607 63 63 PRO CA C 64.497 . 1 608 63 63 PRO CB C 32.154 . 1 609 63 63 PRO CD C 50.903 . 1 610 63 63 PRO CG C 27.702 . 1 611 64 64 GLU H H 8.910 . 1 612 64 64 GLU HA H 3.907 . 1 613 64 64 GLU HB2 H 2.130 . 2 614 64 64 GLU HB3 H 2.130 . 2 615 64 64 GLU HG2 H 2.144 . 2 616 64 64 GLU HG3 H 2.145 . 2 617 64 64 GLU CA C 58.360 . 1 618 64 64 GLU CB C 29.383 . 1 619 64 64 GLU CG C 36.372 . 1 620 64 64 GLU N N 118.972 . 1 621 65 65 SER H H 7.984 . 1 622 65 65 SER HA H 4.240 . 1 623 65 65 SER HB2 H 3.889 . 2 624 65 65 SER HB3 H 3.869 . 2 625 65 65 SER CA C 59.818 . 1 626 65 65 SER CB C 63.453 . 1 627 65 65 SER N N 115.597 . 1 628 66 66 ILE H H 7.738 . 1 629 66 66 ILE HA H 3.957 . 1 630 66 66 ILE HB H 1.871 . 1 631 66 66 ILE HD1 H 0.785 . 1 632 66 66 ILE HG12 H 1.463 . 9 633 66 66 ILE HG13 H 1.163 . 9 634 66 66 ILE HG2 H 0.843 . 1 635 66 66 ILE CA C 62.863 . 1 636 66 66 ILE CB C 38.396 . 1 637 66 66 ILE CD1 C 13.348 . 1 638 66 66 ILE CG1 C 28.403 . 1 639 66 66 ILE CG2 C 17.867 . 1 640 66 66 ILE N N 121.597 . 1 641 67 67 LEU H H 7.937 . 1 642 67 67 LEU HA H 4.139 . 1 643 67 67 LEU HB2 H 1.625 . 2 644 67 67 LEU HB3 H 1.493 . 2 645 67 67 LEU HD1 H 0.905 . 1 646 67 67 LEU HD2 H 0.811 . 1 647 67 67 LEU HD2 H 0.794 . 1 648 67 67 LEU HG H 1.579 . 1 649 67 67 LEU CA C 56.804 . 1 650 67 67 LEU CB C 42.236 . 1 651 67 67 LEU CD1 C 25.422 . 2 652 67 67 LEU CD2 C 23.665 . 2 653 67 67 LEU CG C 27.165 . 1 654 67 67 LEU N N 122.946 . 1 655 68 68 LYS H H 7.668 . 1 656 68 68 LYS HA H 4.131 . 1 657 68 68 LYS HB2 H 2.053 . 2 658 68 68 LYS HB3 H 1.983 . 2 659 68 68 LYS HD2 H 1.732 . 2 660 68 68 LYS HD3 H 1.569 . 2 661 68 68 LYS HE2 H 2.890 . 2 662 68 68 LYS HE3 H 2.713 . 2 663 68 68 LYS HG2 H 1.441 . 2 664 68 68 LYS HG3 H 1.391 . 2 665 68 68 LYS CA C 56.847 . 1 666 68 68 LYS CB C 29.654 . 1 667 68 68 LYS CD C 27.314 . 1 668 68 68 LYS CE C 41.529 . 1 669 68 68 LYS CG C 24.925 . 1 670 68 68 LYS N N 121.222 . 1 671 69 69 MET H H 7.914 . 1 672 69 69 MET HA H 4.423 . 1 673 69 69 MET HB2 H 1.979 . 2 674 69 69 MET HB3 H 1.790 . 2 675 69 69 MET HE H 1.431 . 1 676 69 69 MET HG2 H 2.093 . 2 677 69 69 MET HG3 H 2.090 . 2 678 69 69 MET CA C 56.776 . 1 679 69 69 MET CB C 32.758 . 1 680 69 69 MET CE C 18.560 . 1 681 69 69 MET CG C 33.387 . 1 682 69 69 MET N N 118.222 . 1 683 70 70 THR H H 8.031 . 1 684 70 70 THR HA H 4.396 . 1 685 70 70 THR HB H 4.110 . 1 686 70 70 THR HG2 H 1.247 . 1 687 70 70 THR CA C 63.071 . 1 688 70 70 THR CB C 68.247 . 1 689 70 70 THR CG2 C 21.841 . 1 690 70 70 THR N N 112.597 . 1 691 71 71 LYS H H 8.066 . 1 692 71 71 LYS HA H 4.260 . 1 693 71 71 LYS HB2 H 1.852 . 2 694 71 71 LYS HB3 H 1.852 . 2 695 71 71 LYS HD2 H 1.691 . 2 696 71 71 LYS HD3 H 1.691 . 2 697 71 71 LYS HE2 H 3.065 . 2 698 71 71 LYS HE3 H 2.999 . 2 699 71 71 LYS HG2 H 1.427 . 2 700 71 71 LYS HG3 H 1.307 . 2 701 71 71 LYS CA C 56.657 . 1 702 71 71 LYS CB C 32.360 . 1 703 71 71 LYS CD C 29.288 . 1 704 71 71 LYS CE C 42.214 . 1 705 71 71 LYS CG C 24.970 . 1 706 71 71 LYS N N 121.222 . 1 707 72 72 LYS H H 8.324 . 1 708 72 72 LYS HA H 4.255 . 1 709 72 72 LYS HB2 H 1.698 . 2 710 72 72 LYS HB3 H 1.698 . 2 711 72 72 LYS HD2 H 1.612 . 2 712 72 72 LYS HD3 H 1.612 . 2 713 72 72 LYS HE2 H 2.716 . 2 714 72 72 LYS HE3 H 2.663 . 2 715 72 72 LYS HG2 H 1.397 . 2 716 72 72 LYS HG3 H 1.397 . 2 717 72 72 LYS CA C 56.992 . 1 718 72 72 LYS CB C 31.248 . 1 719 72 72 LYS CD C 27.449 . 1 720 72 72 LYS CE C 41.528 . 1 721 72 72 LYS CG C 24.653 . 1 722 72 72 LYS N N 121.222 . 1 723 73 73 GLY H H 8.336 . 1 724 73 73 GLY HA2 H 3.930 . 2 725 73 73 GLY HA3 H 3.930 . 2 726 73 73 GLY CA C 45.278 . 1 727 73 73 GLY N N 109.597 . 1 728 74 74 LYS H H 7.879 . 1 729 74 74 LYS HA H 4.252 . 1 730 74 74 LYS HB2 H 2.015 . 2 731 74 74 LYS HB3 H 1.897 . 2 732 74 74 LYS HD2 H 1.866 . 2 733 74 74 LYS HD3 H 1.538 . 2 734 74 74 LYS HE2 H 2.706 . 2 735 74 74 LYS HE3 H 2.492 . 2 736 74 74 LYS HG2 H 1.444 . 2 737 74 74 LYS HG3 H 1.444 . 2 738 74 74 LYS CA C 56.515 . 1 739 74 74 LYS CB C 31.684 . 1 740 74 74 LYS CD C 27.466 . 1 741 74 74 LYS CE C 41.500 . 1 742 74 74 LYS CG C 24.653 . 1 743 74 74 LYS N N 120.472 . 1 744 75 75 THR H H 7.937 . 1 745 75 75 THR HA H 4.214 . 1 746 75 75 THR HB H 3.946 . 1 747 75 75 THR HG2 H 1.167 . 1 748 75 75 THR CA C 62.189 . 1 749 75 75 THR CB C 69.887 . 1 750 75 75 THR CG2 C 22.099 . 1 751 75 75 THR N N 120.097 . 1 752 76 76 LEU H H 8.320 . 1 753 76 76 LEU HD1 H 0.839 . 1 754 76 76 LEU CA C 54.413 . 1 755 76 76 LEU CD1 C 22.197 . 2 756 76 76 LEU N N 124.994 . 1 757 77 77 MET H H 8.688 . 1 758 77 77 MET HA H 4.722 . 1 759 77 77 MET HB2 H 2.053 . 2 760 77 77 MET HB3 H 2.053 . 2 761 77 77 MET HE H 1.863 . 1 762 77 77 MET HG2 H 2.245 . 2 763 77 77 MET HG3 H 2.245 . 2 764 77 77 MET CA C 54.545 . 1 765 77 77 MET CB C 35.435 . 1 766 77 77 MET CE C 17.622 . 1 767 77 77 MET CG C 32.859 . 1 768 77 77 MET N N 121.597 . 1 769 78 78 MET H H 8.763 . 1 770 78 78 MET HA H 5.106 . 1 771 78 78 MET HB2 H 1.956 . 2 772 78 78 MET HB3 H 1.934 . 2 773 78 78 MET HE H 1.852 . 1 774 78 78 MET HG2 H 2.236 . 2 775 78 78 MET HG3 H 2.236 . 2 776 78 78 MET CA C 55.751 . 1 777 78 78 MET CB C 36.196 . 1 778 78 78 MET CE C 18.091 . 1 779 78 78 MET CG C 32.154 . 1 780 78 78 MET N N 120.583 . 1 781 79 79 PHE H H 8.652 . 1 782 79 79 PHE HA H 5.137 . 1 783 79 79 PHE HB2 H 3.079 . 2 784 79 79 PHE HB3 H 3.079 . 2 785 79 79 PHE CA C 57.466 . 1 786 79 79 PHE CB C 41.060 . 1 787 79 79 PHE N N 123.097 . 1 788 80 80 VAL H H 9.426 . 1 789 80 80 VAL HA H 5.084 . 1 790 80 80 VAL HB H 2.070 . 1 791 80 80 VAL HG1 H 0.948 . 1 792 80 80 VAL HG2 H 0.869 . 1 793 80 80 VAL CA C 61.216 . 1 794 80 80 VAL CB C 35.764 . 1 795 80 80 VAL CG1 C 22.824 . 2 796 80 80 VAL CG2 C 22.158 . 2 797 80 80 VAL N N 123.097 . 1 798 81 81 THR H H 8.524 . 1 799 81 81 THR HA H 4.678 . 1 800 81 81 THR HB H 4.388 . 1 801 81 81 THR HG2 H 1.163 . 1 802 81 81 THR CA C 61.216 . 1 803 81 81 THR CB C 68.716 . 1 804 81 81 THR CG2 C 22.310 . 1 805 81 81 THR N N 121.972 . 1 806 82 82 VAL H H 9.180 . 1 807 82 82 VAL HA H 4.959 . 1 808 82 82 VAL HB H 1.772 . 1 809 82 82 VAL HG1 H 0.948 . 1 810 82 82 VAL HG2 H 0.881 . 1 811 82 82 VAL CA C 61.685 . 1 812 82 82 VAL CB C 34.029 . 1 813 82 82 VAL CG1 C 22.521 . 2 814 82 82 VAL CG2 C 22.778 . 2 815 82 82 VAL N N 130.972 . 1 816 83 83 SER H H 8.973 . 1 817 83 83 SER HA H 4.380 . 1 818 83 83 SER HB2 H 3.717 . 2 819 83 83 SER HB3 H 3.809 . 2 820 83 83 SER CA C 58.872 . 1 821 83 83 SER CB C 65.709 . 1 822 83 83 SER N N 122.157 . 1 823 84 84 GLY H H 8.957 . 1 824 84 84 GLY HA2 H 3.931 . 2 825 84 84 GLY HA3 H 3.843 . 2 826 84 84 GLY CA C 46.220 . 1 827 84 84 GLY N N 108.097 . 1 828 85 85 ASN H H 8.922 . 1 829 85 85 ASN HA H 4.580 . 1 830 85 85 ASN HB2 H 2.839 . 2 831 85 85 ASN HB3 H 2.715 . 2 832 85 85 ASN HD21 H 7.602 . 2 833 85 85 ASN HD22 H 6.856 . 2 834 85 85 ASN CA C 53.427 . 1 835 85 85 ASN CB C 37.773 . 1 836 85 85 ASN N N 117.037 . 1 837 85 85 ASN ND2 N 112.901 . 1 838 86 86 PRO HA H 4.402 . 1 839 86 86 PRO HB2 H 2.259 . 2 840 86 86 PRO HB3 H 2.294 . 2 841 86 86 PRO HD2 H 3.797 . 2 842 86 86 PRO HD3 H 3.650 . 2 843 86 86 PRO HG2 H 2.002 . 2 844 86 86 PRO HG3 H 1.864 . 2 845 86 86 PRO CA C 63.314 . 1 846 86 86 PRO CB C 32.162 . 1 847 86 86 PRO CD C 50.844 . 1 848 86 86 PRO CG C 27.641 . 1 849 87 87 THR H H 8.535 . 1 850 87 87 THR HA H 4.629 . 1 851 87 87 THR HB H 4.680 . 1 852 87 87 THR HG2 H 1.345 . 1 853 87 87 THR CA C 63.183 . 1 854 87 87 THR CB C 71.529 . 1 855 87 87 THR CG2 C 22.310 . 1 856 87 87 THR N N 121.467 . 1 857 88 88 GLU H H 9.028 . 1 858 88 88 GLU HA H 4.506 . 1 859 88 88 GLU HB2 H 1.983 . 2 860 88 88 GLU HB3 H 1.983 . 2 861 88 88 GLU HG2 H 2.281 . 2 862 88 88 GLU HG3 H 2.281 . 2 863 88 88 GLU CA C 60.557 . 1 864 88 88 GLU CB C 29.810 . 1 865 88 88 GLU CG C 36.841 . 1 866 88 88 GLU N N 120.847 . 1 867 89 89 LYS H H 7.961 . 1 868 89 89 LYS HA H 4.077 . 1 869 89 89 LYS HB2 H 1.999 . 2 870 89 89 LYS HB3 H 1.999 . 2 871 89 89 LYS HD2 H 1.445 . 2 872 89 89 LYS HD3 H 1.445 . 2 873 89 89 LYS HE2 H 3.036 . 2 874 89 89 LYS HE3 H 3.036 . 2 875 89 89 LYS HG2 H 1.354 . 2 876 89 89 LYS HG3 H 1.354 . 2 877 89 89 LYS CA C 58.872 . 1 878 89 89 LYS CB C 30.207 . 1 879 89 89 LYS CD C 24.669 . 1 880 89 89 LYS CE C 42.466 . 1 881 89 89 LYS CG C 21.841 . 1 882 89 89 LYS N N 117.847 . 1 883 90 90 GLU HA H 4.256 . 1 884 90 90 GLU HB2 H 2.007 . 2 885 90 90 GLU HB3 H 2.007 . 2 886 90 90 GLU HG2 H 2.285 . 2 887 90 90 GLU HG3 H 2.285 . 2 888 90 90 GLU CA C 56.981 . 1 889 90 90 GLU CB C 30.730 . 1 890 90 90 GLU CG C 36.372 . 1 891 91 91 THR H H 8.535 . 1 892 91 91 THR HA H 4.412 . 1 893 91 91 THR HB H 4.157 . 1 894 91 91 THR CA C 63.091 . 1 895 91 91 THR CB C 70.591 . 1 896 91 91 THR N N 121.597 . 1 897 92 92 GLU H H 8.746 . 1 898 92 92 GLU HA H 3.668 . 1 899 92 92 GLU HB2 H 2.216 . 2 900 92 92 GLU HB3 H 2.216 . 2 901 92 92 GLU HG2 H 2.191 . 2 902 92 92 GLU HG3 H 2.184 . 2 903 92 92 GLU CA C 60.279 . 1 904 92 92 GLU CB C 29.313 . 1 905 92 92 GLU CG C 35.960 . 1 906 92 92 GLU N N 126.097 . 1 907 93 93 GLU H H 7.926 . 1 908 93 93 GLU HA H 4.222 . 1 909 93 93 GLU HB2 H 1.989 . 2 910 93 93 GLU HB3 H 1.940 . 2 911 93 93 GLU HG2 H 2.416 . 2 912 93 93 GLU HG3 H 2.243 . 2 913 93 93 GLU CA C 56.528 . 1 914 93 93 GLU CB C 30.279 . 1 915 93 93 GLU CG C 36.372 . 1 916 93 93 GLU N N 120.472 . 1 917 94 94 ILE H H 8.781 . 1 918 94 94 ILE HA H 4.159 . 1 919 94 94 ILE HB H 1.866 . 1 920 94 94 ILE HD1 H 0.446 . 1 921 94 94 ILE HG12 H 1.582 . 1 922 94 94 ILE HG13 H 1.582 . 1 923 94 94 ILE HG2 H 0.621 . 1 924 94 94 ILE CA C 61.130 . 1 925 94 94 ILE CB C 38.716 . 1 926 94 94 ILE CD1 C 13.404 . 1 927 94 94 ILE CG1 C 27.482 . 1 928 94 94 ILE CG2 C 17.671 . 1 929 94 94 ILE N N 120.472 . 1 930 95 95 THR H H 7.879 . 1 931 95 95 THR HA H 3.738 . 1 932 95 95 THR HB H 3.742 . 1 933 95 95 THR HG2 H 1.164 . 1 934 95 95 THR CA C 64.966 . 1 935 95 95 THR CB C 71.537 . 1 936 95 95 THR CG2 C 22.076 . 1 937 95 95 THR N N 105.472 . 1 938 96 96 SER H H 7.972 . 1 939 96 96 SER HA H 4.164 . 1 940 96 96 SER HB2 H 3.995 . 2 941 96 96 SER HB3 H 3.955 . 2 942 96 96 SER CA C 62.111 . 1 943 96 96 SER CB C 62.978 . 1 944 96 96 SER N N 119.722 . 1 945 97 97 LEU H H 7.504 . 1 946 97 97 LEU HA H 4.295 . 1 947 97 97 LEU HB2 H 1.946 . 2 948 97 97 LEU HB3 H 1.747 . 2 949 97 97 LEU HD1 H 0.937 . 1 950 97 97 LEU HD2 H 0.976 . 1 951 97 97 LEU HG H 1.822 . 1 952 97 97 LEU CA C 58.403 . 1 953 97 97 LEU CB C 40.758 . 1 954 97 97 LEU CD1 C 25.038 . 2 955 97 97 LEU CD2 C 23.681 . 2 956 97 97 LEU CG C 26.997 . 1 957 97 97 LEU N N 125.722 . 1 958 98 98 TRP HA H 4.401 . 1 959 98 98 TRP HD1 H 7.211 . 1 960 98 98 TRP HE1 H 10.105 . 1 961 98 98 TRP HE3 H 7.049 . 1 962 98 98 TRP HH2 H 7.049 . 1 963 98 98 TRP HZ2 H 7.049 . 1 964 98 98 TRP HZ3 H 7.381 . 1 965 98 98 TRP CA C 58.461 . 1 966 98 98 TRP NE1 N 128.856 . 1 967 99 99 GLN H H 8.752 . 1 968 99 99 GLN HA H 4.296 . 1 969 99 99 GLN HB2 H 2.429 . 2 970 99 99 GLN HB3 H 2.429 . 2 971 99 99 GLN HE21 H 7.584 . 2 972 99 99 GLN HE22 H 6.835 . 2 973 99 99 GLN HG2 H 2.087 . 2 974 99 99 GLN HG3 H 2.087 . 2 975 99 99 GLN CA C 60.372 . 1 976 99 99 GLN CB C 31.216 . 1 977 99 99 GLN CG C 32.328 . 1 978 99 99 GLN N N 118.404 . 1 979 100 100 GLY H H 8.641 . 1 980 100 100 GLY HA2 H 4.061 . 2 981 100 100 GLY HA3 H 4.021 . 2 982 100 100 GLY CA C 47.632 . 1 983 100 100 GLY N N 107.722 . 1 984 101 101 SER H H 8.371 . 1 985 101 101 SER HA H 4.356 . 1 986 101 101 SER HB2 H 4.163 . 2 987 101 101 SER HB3 H 3.928 . 2 988 101 101 SER CA C 62.396 . 1 989 101 101 SER CB C 63.560 . 1 990 101 101 SER N N 119.347 . 1 991 102 102 LEU H H 8.125 . 1 992 102 102 LEU HA H 4.303 . 1 993 102 102 LEU HB2 H 1.489 . 2 994 102 102 LEU HB3 H 1.489 . 2 995 102 102 LEU HD1 H 0.881 . 1 996 102 102 LEU HD2 H 0.876 . 1 997 102 102 LEU HG H 1.631 . 1 998 102 102 LEU CA C 56.528 . 1 999 102 102 LEU CB C 41.997 . 1 1000 102 102 LEU CD1 C 25.591 . 2 1001 102 102 LEU CD2 C 23.716 . 2 1002 102 102 LEU CG C 26.997 . 1 1003 102 102 LEU N N 123.097 . 1 1004 103 103 PHE H H 8.852 . 1 1005 103 103 PHE HA H 4.638 . 1 1006 103 103 PHE HB2 H 3.434 . 2 1007 103 103 PHE HB3 H 3.272 . 2 1008 103 103 PHE CA C 60.748 . 1 1009 103 103 PHE CB C 38.773 . 1 1010 103 103 PHE N N 121.972 . 1 1011 104 104 ASN H H 8.230 . 1 1012 104 104 ASN HA H 4.442 . 1 1013 104 104 ASN HB2 H 2.923 . 2 1014 104 104 ASN HB3 H 2.897 . 2 1015 104 104 ASN HD21 H 7.636 . 2 1016 104 104 ASN HD22 H 6.894 . 2 1017 104 104 ASN CA C 55.482 . 1 1018 104 104 ASN CB C 38.247 . 1 1019 104 104 ASN N N 119.347 . 1 1020 104 104 ASN ND2 N 111.719 . 1 1021 105 105 ALA H H 7.351 . 1 1022 105 105 ALA HA H 4.261 . 1 1023 105 105 ALA HB H 1.306 . 1 1024 105 105 ALA CA C 51.637 . 1 1025 105 105 ALA CB C 18.560 . 1 1026 105 105 ALA N N 121.972 . 1 1027 106 106 ASN H H 7.679 . 1 1028 106 106 ASN HA H 4.073 . 1 1029 106 106 ASN HB2 H 2.815 . 2 1030 106 106 ASN HB3 H 2.628 . 2 1031 106 106 ASN HD21 H 7.247 . 2 1032 106 106 ASN HD22 H 6.634 . 2 1033 106 106 ASN CA C 54.638 . 1 1034 106 106 ASN CB C 36.466 . 1 1035 106 106 ASN N N 109.972 . 1 1036 106 106 ASN ND2 N 112.310 . 1 1037 107 107 TYR H H 7.832 . 1 1038 107 107 TYR HA H 4.476 . 1 1039 107 107 TYR HB2 H 2.826 . 2 1040 107 107 TYR HB3 H 2.826 . 2 1041 107 107 TYR CA C 56.672 . 1 1042 107 107 TYR CB C 38.706 . 1 1043 107 107 TYR N N 117.097 . 1 1044 108 108 ASP H H 8.348 . 1 1045 108 108 ASP HA H 4.833 . 1 1046 108 108 ASP HB2 H 2.840 . 2 1047 108 108 ASP HB3 H 2.546 . 2 1048 108 108 ASP CA C 53.764 . 1 1049 108 108 ASP CB C 41.471 . 1 1050 108 108 ASP N N 123.097 . 1 1051 109 109 VAL H H 7.726 . 1 1052 109 109 VAL HA H 5.218 . 1 1053 109 109 VAL HB H 2.043 . 1 1054 109 109 VAL HG1 H 0.881 . 1 1055 109 109 VAL HG1 H 0.918 . 1 1056 109 109 VAL HG1 H 0.881 . 1 1057 109 109 VAL HG2 H 0.881 . 1 1058 109 109 VAL CA C 58.872 . 1 1059 109 109 VAL CB C 35.909 . 1 1060 109 109 VAL CG1 C 22.310 . 2 1061 109 109 VAL CG2 C 20.893 . 2 1062 109 109 VAL N N 119.675 . 1 1063 110 110 GLN H H 8.570 . 1 1064 110 110 GLN HA H 4.630 . 1 1065 110 110 GLN HB2 H 2.266 . 2 1066 110 110 GLN HB3 H 2.288 . 2 1067 110 110 GLN HE21 H 7.374 . 2 1068 110 110 GLN HE22 H 6.968 . 2 1069 110 110 GLN HG2 H 2.194 . 2 1070 110 110 GLN HG3 H 2.194 . 2 1071 110 110 GLN CA C 54.287 . 1 1072 110 110 GLN CB C 32.154 . 1 1073 110 110 GLN CG C 34.029 . 1 1074 110 110 GLN N N 122.355 . 1 1075 110 110 GLN NE2 N 111.128 . 1 1076 111 111 ARG H H 8.066 . 1 1077 111 111 ARG HA H 4.619 . 1 1078 111 111 ARG HB2 H 1.972 . 2 1079 111 111 ARG HB3 H 1.839 . 2 1080 111 111 ARG HD2 H 2.706 . 2 1081 111 111 ARG HD3 H 2.562 . 2 1082 111 111 ARG HG2 H 1.352 . 2 1083 111 111 ARG HG3 H 1.112 . 2 1084 111 111 ARG CA C 54.210 . 1 1085 111 111 ARG CB C 32.587 . 1 1086 111 111 ARG CD C 41.491 . 1 1087 111 111 ARG CG C 27.333 . 1 1088 111 111 ARG N N 121.222 . 1 1089 112 112 PHE H H 8.074 . 1 1090 112 112 PHE HA H 4.611 . 1 1091 112 112 PHE HB2 H 2.721 . 2 1092 112 112 PHE HB3 H 2.588 . 2 1093 112 112 PHE CA C 57.532 . 1 1094 112 112 PHE CB C 41.639 . 1 1095 112 112 PHE N N 121.448 . 1 1096 113 113 ILE H H 7.591 . 1 1097 113 113 ILE HA H 4.737 . 1 1098 113 113 ILE HD1 H 0.695 . 1 1099 113 113 ILE HG12 H 1.077 . 1 1100 113 113 ILE HG13 H 1.077 . 1 1101 113 113 ILE HG2 H 0.842 . 1 1102 113 113 ILE CA C 61.075 . 1 1103 113 113 ILE CB C 39.266 . 1 1104 113 113 ILE N N 120.630 . 1 1105 114 114 VAL H H 9.181 . 1 1106 114 114 VAL HA H 5.174 . 1 1107 114 114 VAL HB H 1.977 . 1 1108 114 114 VAL HG1 H 0.843 . 1 1109 114 114 VAL HG2 H 0.723 . 1 1110 114 114 VAL CA C 60.906 . 1 1111 114 114 VAL CB C 33.182 . 1 1112 114 114 VAL CG1 C 21.841 . 2 1113 114 114 VAL CG2 C 19.497 . 2 1114 114 114 VAL N N 125.948 . 1 1115 115 115 GLY H H 8.101 . 1 1116 115 115 GLY HA2 H 4.076 . 2 1117 115 115 GLY HA3 H 4.063 . 2 1118 115 115 GLY CA C 45.278 . 1 1119 115 115 GLY N N 110.722 . 1 1120 116 116 SER HA H 4.394 . 1 1121 116 116 SER HB2 H 3.784 . 2 1122 116 116 SER HB3 H 3.784 . 2 1123 116 116 SER CA C 58.142 . 1 1124 116 116 SER CB C 64.029 . 1 1125 117 117 ASP H H 7.984 . 1 1126 117 117 ASP HA H 4.313 . 1 1127 117 117 ASP HB2 H 2.709 . 2 1128 117 117 ASP HB3 H 2.709 . 2 1129 117 117 ASP CA C 50.181 . 1 1130 117 117 ASP CB C 41.223 . 1 1131 117 117 ASP N N 124.597 . 1 1132 118 118 ARG H H 7.070 . 1 1133 118 118 ARG HA H 5.552 . 1 1134 118 118 ARG HB2 H 1.772 . 2 1135 118 118 ARG HB3 H 1.584 . 2 1136 118 118 ARG HD2 H 3.238 . 2 1137 118 118 ARG HD3 H 3.238 . 2 1138 118 118 ARG HG2 H 1.725 . 2 1139 118 118 ARG HG3 H 1.631 . 2 1140 118 118 ARG CA C 55.001 . 1 1141 118 118 ARG CB C 35.435 . 1 1142 118 118 ARG CD C 40.122 . 1 1143 118 118 ARG CG C 27.466 . 1 1144 118 118 ARG N N 116.722 . 1 1145 119 119 ALA H H 9.210 . 1 1146 119 119 ALA HA H 5.428 . 1 1147 119 119 ALA HB H 1.215 . 1 1148 119 119 ALA CA C 49.497 . 1 1149 119 119 ALA CB C 23.716 . 1 1150 119 119 ALA N N 123.097 . 1 1151 120 120 ILE H H 9.321 . 1 1152 120 120 ILE HA H 4.455 . 1 1153 120 120 ILE HB H 1.579 . 1 1154 120 120 ILE HD1 H 0.928 . 1 1155 120 120 ILE HG12 H 1.538 . 9 1156 120 120 ILE HG13 H 1.460 . 1 1157 120 120 ILE HG2 H 0.600 . 1 1158 120 120 ILE CA C 60.279 . 1 1159 120 120 ILE CB C 41.060 . 1 1160 120 120 ILE CD1 C 12.935 . 1 1161 120 120 ILE CG1 C 26.997 . 1 1162 120 120 ILE CG2 C 17.614 . 1 1163 120 120 ILE N N 120.097 . 1 1164 121 121 PHE H H 9.168 . 1 1165 121 121 PHE HA H 4.777 . 1 1166 121 121 PHE HB2 H 3.271 . 2 1167 121 121 PHE HB3 H 3.271 . 2 1168 121 121 PHE CA C 56.060 . 1 1169 121 121 PHE CB C 39.654 . 1 1170 121 121 PHE N N 126.097 . 1 1171 122 122 MET H H 9.344 . 1 1172 122 122 MET HA H 5.010 . 1 1173 122 122 MET HB2 H 2.205 . 2 1174 122 122 MET HB3 H 2.189 . 2 1175 122 122 MET HE H 1.908 . 1 1176 122 122 MET HG2 H 2.242 . 2 1177 122 122 MET HG3 H 2.260 . 2 1178 122 122 MET CA C 54.562 . 1 1179 122 122 MET CB C 35.069 . 1 1180 122 122 MET CE C 27.935 . 1 1181 122 122 MET CG C 32.009 . 1 1182 122 122 MET N N 123.472 . 1 1183 123 123 LEU H H 9.227 . 1 1184 123 123 LEU HA H 5.057 . 1 1185 123 123 LEU HB2 H 1.819 . 2 1186 123 123 LEU HB3 H 1.631 . 2 1187 123 123 LEU HD1 H 0.891 . 1 1188 123 123 LEU HD2 H 0.879 . 1 1189 123 123 LEU HG H 1.343 . 1 1190 123 123 LEU CA C 54.188 . 1 1191 123 123 LEU CB C 43.404 . 1 1192 123 123 LEU CD1 C 25.125 . 2 1193 123 123 LEU CD2 C 22.722 . 2 1194 123 123 LEU CG C 25.612 . 1 1195 123 123 LEU N N 128.347 . 1 1196 124 124 ARG H H 7.867 . 1 1197 124 124 ARG HA H 4.296 . 1 1198 124 124 ARG HB2 H 2.104 . 2 1199 124 124 ARG HB3 H 2.001 . 2 1200 124 124 ARG HD2 H 2.993 . 2 1201 124 124 ARG HD3 H 2.982 . 2 1202 124 124 ARG HG2 H 1.535 . 2 1203 124 124 ARG HG3 H 1.397 . 2 1204 124 124 ARG CA C 58.262 . 1 1205 124 124 ARG CB C 30.274 . 1 1206 124 124 ARG CD C 42.393 . 1 1207 124 124 ARG CG C 27.464 . 1 1208 124 124 ARG N N 120.583 . 1 1209 125 125 ASP H H 7.867 . 1 1210 125 125 ASP HA H 4.709 . 1 1211 125 125 ASP HB2 H 2.569 . 2 1212 125 125 ASP HB3 H 2.569 . 2 1213 125 125 ASP CA C 52.552 . 1 1214 125 125 ASP CB C 41.997 . 1 1215 125 125 ASP N N 115.222 . 1 1216 126 126 GLY H H 8.817 . 1 1217 126 126 GLY HA2 H 3.788 . 2 1218 126 126 GLY HA3 H 3.788 . 2 1219 126 126 GLY CA C 47.622 . 1 1220 126 126 GLY N N 110.722 . 1 1221 127 127 SER H H 8.547 . 1 1222 127 127 SER HA H 4.288 . 1 1223 127 127 SER HB2 H 3.737 . 2 1224 127 127 SER HB3 H 3.677 . 2 1225 127 127 SER CA C 61.636 . 1 1226 127 127 SER CB C 63.081 . 1 1227 127 127 SER N N 117.037 . 1 1228 128 128 TYR H H 7.259 . 1 1229 128 128 TYR HA H 4.225 . 1 1230 128 128 TYR HB2 H 2.851 . 2 1231 128 128 TYR HB3 H 2.760 . 2 1232 128 128 TYR HD1 H 6.730 . 3 1233 128 128 TYR CA C 57.104 . 1 1234 128 128 TYR CB C 38.780 . 1 1235 128 128 TYR N N 117.295 . 1 1236 129 129 ALA H H 8.592 . 1 1237 129 129 ALA HA H 4.268 . 1 1238 129 129 ALA HB H 1.347 . 1 1239 129 129 ALA CA C 52.347 . 1 1240 129 129 ALA CB C 19.408 . 1 1241 129 129 ALA N N 121.222 . 1 1242 130 130 TRP H H 8.184 . 1 1243 130 130 TRP HA H 4.234 . 1 1244 130 130 TRP HB2 H 3.316 . 2 1245 130 130 TRP HB3 H 3.312 . 2 1246 130 130 TRP HD1 H 7.141 . 1 1247 130 130 TRP HE1 H 9.982 . 1 1248 130 130 TRP HE3 H 7.499 . 1 1249 130 130 TRP HH2 H 6.977 . 1 1250 130 130 TRP HZ2 H 7.276 . 1 1251 130 130 TRP HZ3 H 6.977 . 1 1252 130 130 TRP CA C 56.518 . 1 1253 130 130 TRP CB C 29.321 . 1 1254 130 130 TRP N N 120.847 . 1 1255 130 130 TRP NE1 N 129.446 . 1 1256 131 131 GLU H H 8.090 . 1 1257 131 131 GLU HA H 4.082 . 1 1258 131 131 GLU HB2 H 2.074 . 2 1259 131 131 GLU HB3 H 2.074 . 2 1260 131 131 GLU HG2 H 2.193 . 2 1261 131 131 GLU HG3 H 2.193 . 2 1262 131 131 GLU CA C 57.359 . 1 1263 131 131 GLU CB C 29.241 . 1 1264 131 131 GLU CG C 36.413 . 1 1265 131 131 GLU N N 120.472 . 1 1266 132 132 ILE H H 8.055 . 1 1267 132 132 ILE HA H 4.022 . 1 1268 132 132 ILE HB H 1.811 . 1 1269 132 132 ILE HD1 H 0.789 . 1 1270 132 132 ILE HG12 H 1.373 . 9 1271 132 132 ILE HG13 H 1.151 . 9 1272 132 132 ILE HG2 H 0.832 . 1 1273 132 132 ILE CA C 61.685 . 1 1274 132 132 ILE CB C 38.716 . 1 1275 132 132 ILE CD1 C 13.600 . 1 1276 132 132 ILE CG1 C 27.474 . 1 1277 132 132 ILE CG2 C 17.976 . 1 1278 132 132 ILE N N 121.597 . 1 1279 133 133 LYS H H 8.348 . 1 1280 133 133 LYS HA H 4.253 . 1 1281 133 133 LYS HB2 H 1.745 . 2 1282 133 133 LYS HB3 H 1.725 . 2 1283 133 133 LYS HD2 H 1.602 . 2 1284 133 133 LYS HD3 H 1.536 . 2 1285 133 133 LYS HE2 H 2.944 . 2 1286 133 133 LYS HE3 H 2.807 . 2 1287 133 133 LYS HG2 H 1.394 . 2 1288 133 133 LYS HG3 H 1.352 . 2 1289 133 133 LYS CA C 56.528 . 1 1290 133 133 LYS CB C 33.091 . 1 1291 133 133 LYS CD C 27.046 . 1 1292 133 133 LYS CE C 42.018 . 1 1293 133 133 LYS CG C 25.067 . 1 1294 133 133 LYS N N 123.097 . 1 1295 134 134 ASP H H 8.418 . 1 1296 134 134 ASP HA H 4.625 . 1 1297 134 134 ASP HB2 H 2.712 . 2 1298 134 134 ASP HB3 H 2.553 . 2 1299 134 134 ASP CA C 54.185 . 1 1300 134 134 ASP CB C 41.987 . 1 1301 134 134 ASP N N 122.722 . 1 1302 135 135 PHE H H 8.068 . 1 1303 135 135 PHE HA H 4.162 . 1 1304 135 135 PHE HB2 H 3.218 . 2 1305 135 135 PHE HB3 H 2.934 . 2 1306 135 135 PHE CA C 57.446 . 1 1307 135 135 PHE CB C 38.811 . 1 1308 135 135 PHE N N 121.389 . 1 1309 136 136 LEU H H 8.336 . 1 1310 136 136 LEU HA H 4.422 . 1 1311 136 136 LEU HB2 H 1.651 . 2 1312 136 136 LEU HB3 H 1.651 . 2 1313 136 136 LEU HD1 H 0.972 . 1 1314 136 136 LEU HD2 H 0.926 . 1 1315 136 136 LEU HG H 1.444 . 1 1316 136 136 LEU CA C 55.498 . 1 1317 136 136 LEU CB C 42.153 . 1 1318 136 136 LEU CD1 C 23.236 . 2 1319 136 136 LEU CD2 C 22.760 . 2 1320 136 136 LEU CG C 27.466 . 1 1321 136 136 LEU N N 123.097 . 1 1322 137 137 VAL H H 7.914 . 1 1323 137 137 VAL HA H 3.804 . 1 1324 137 137 VAL HB H 2.095 . 1 1325 137 137 VAL HG1 H 0.803 . 1 1326 137 137 VAL HG2 H 0.915 . 1 1327 137 137 VAL CA C 64.636 . 1 1328 137 137 VAL CB C 30.938 . 1 1329 137 137 VAL CG1 C 21.841 . 2 1330 137 137 VAL CG2 C 19.497 . 2 1331 137 137 VAL N N 120.583 . 1 1332 138 138 SER H H 6.941 . 1 1333 138 138 SER HA H 4.297 . 1 1334 138 138 SER HB2 H 3.841 . 2 1335 138 138 SER HB3 H 3.506 . 2 1336 138 138 SER CA C 59.242 . 1 1337 138 138 SER CB C 64.136 . 1 1338 138 138 SER N N 113.347 . 1 1339 139 139 GLN H H 7.504 . 1 1340 139 139 GLN HA H 4.179 . 1 1341 139 139 GLN HB2 H 1.965 . 2 1342 139 139 GLN HB3 H 2.055 . 2 1343 139 139 GLN HE21 H 7.474 . 2 1344 139 139 GLN HE22 H 6.809 . 2 1345 139 139 GLN HG2 H 2.195 . 2 1346 139 139 GLN HG3 H 2.195 . 2 1347 139 139 GLN CA C 57.113 . 1 1348 139 139 GLN CB C 32.508 . 1 1349 139 139 GLN CG C 36.523 . 1 1350 139 139 GLN N N 120.097 . 1 1351 139 139 GLN NE2 N 112.310 . 1 1352 140 140 ASP H H 7.867 . 1 1353 140 140 ASP HA H 4.619 . 1 1354 140 140 ASP HB2 H 2.575 . 2 1355 140 140 ASP HB3 H 2.539 . 2 1356 140 140 ASP CA C 54.268 . 1 1357 140 140 ASP CB C 41.617 . 1 1358 140 140 ASP N N 120.097 . 1 1359 141 141 ARG H H 8.055 . 1 1360 141 141 ARG HA H 4.127 . 1 1361 141 141 ARG HB2 H 1.966 . 2 1362 141 141 ARG HB3 H 1.866 . 2 1363 141 141 ARG HD2 H 2.569 . 2 1364 141 141 ARG HD3 H 2.534 . 2 1365 141 141 ARG HG2 H 1.283 . 2 1366 141 141 ARG HG3 H 1.136 . 2 1367 141 141 ARG CA C 57.569 . 1 1368 141 141 ARG CB C 30.279 . 1 1369 141 141 ARG CD C 41.997 . 1 1370 141 141 ARG CG C 27.484 . 1 1371 141 141 ARG N N 121.597 . 1 1372 142 142 CYS H H 8.055 . 1 1373 142 142 CYS HA H 4.442 . 1 1374 142 142 CYS HB2 H 2.700 . 2 1375 142 142 CYS HB3 H 2.522 . 2 1376 142 142 CYS CA C 55.813 . 1 1377 142 142 CYS CB C 41.385 . 1 1378 142 142 CYS N N 120.847 . 1 1379 143 143 ALA H H 8.219 . 1 1380 143 143 ALA HA H 4.168 . 1 1381 143 143 ALA HB H 1.398 . 1 1382 143 143 ALA CA C 54.185 . 1 1383 143 143 ALA CB C 18.709 . 1 1384 143 143 ALA N N 123.847 . 1 1385 144 144 GLU H H 7.539 . 1 1386 144 144 GLU HA H 4.860 . 1 1387 144 144 GLU HB2 H 1.913 . 2 1388 144 144 GLU HB3 H 1.875 . 2 1389 144 144 GLU HG2 H 2.056 . 2 1390 144 144 GLU HG3 H 2.053 . 2 1391 144 144 GLU CA C 55.655 . 1 1392 144 144 GLU CB C 33.091 . 1 1393 144 144 GLU CG C 35.435 . 1 1394 144 144 GLU N N 115.222 . 1 1395 145 145 VAL H H 8.706 . 1 1396 145 145 VAL HA H 5.002 . 1 1397 145 145 VAL HB H 1.874 . 1 1398 145 145 VAL HG1 H 0.834 . 1 1399 145 145 VAL HG2 H 0.834 . 1 1400 145 145 VAL CA C 60.671 . 1 1401 145 145 VAL CB C 35.653 . 1 1402 145 145 VAL CG1 C 24.185 . 2 1403 145 145 VAL CG2 C 22.310 . 2 1404 145 145 VAL N N 121.597 . 1 1405 146 146 THR H H 9.466 . 1 1406 146 146 THR HA H 4.510 . 1 1407 146 146 THR HB H 4.110 . 1 1408 146 146 THR HG2 H 1.069 . 1 1409 146 146 THR HG2 H 1.178 . 1 1410 146 146 THR CA C 62.622 . 1 1411 146 146 THR CB C 70.122 . 1 1412 146 146 THR CG2 C 21.372 . 1 1413 146 146 THR N N 123.472 . 1 1414 147 147 LEU H H 8.986 . 1 1415 147 147 LEU HA H 4.749 . 1 1416 147 147 LEU HB2 H 1.819 . 2 1417 147 147 LEU HB3 H 1.819 . 2 1418 147 147 LEU HD1 H 0.877 . 1 1419 147 147 LEU HD2 H 1.038 . 1 1420 147 147 LEU HG H 1.431 . 1 1421 147 147 LEU CA C 54.722 . 1 1422 147 147 LEU CB C 45.747 . 1 1423 147 147 LEU CD1 C 25.541 . 2 1424 147 147 LEU CD2 C 21.155 . 2 1425 147 147 LEU CG C 26.528 . 1 1426 147 147 LEU N N 127.597 . 1 1427 148 148 GLU H H 7.890 . 1 1428 148 148 GLU HA H 4.209 . 1 1429 148 148 GLU HB2 H 2.006 . 2 1430 148 148 GLU HB3 H 1.977 . 2 1431 148 148 GLU HG2 H 2.381 . 2 1432 148 148 GLU HG3 H 2.194 . 2 1433 148 148 GLU CA C 56.997 . 1 1434 148 148 GLU CB C 30.278 . 1 1435 148 148 GLU CG C 36.372 . 1 1436 148 148 GLU N N 120.472 . 1 1437 149 149 GLY H H 8.746 . 1 1438 149 149 GLY HA2 H 3.553 . 2 1439 149 149 GLY HA3 H 3.551 . 2 1440 149 149 GLY CA C 45.747 . 1 1441 149 149 GLY N N 103.972 . 1 1442 150 150 GLN H H 7.867 . 1 1443 150 150 GLN HA H 4.516 . 1 1444 150 150 GLN HB2 H 2.062 . 2 1445 150 150 GLN HB3 H 1.944 . 2 1446 150 150 GLN HE21 H 7.373 . 2 1447 150 150 GLN HE22 H 6.808 . 2 1448 150 150 GLN HG2 H 2.125 . 2 1449 150 150 GLN HG3 H 1.806 . 2 1450 150 150 GLN CA C 54.185 . 1 1451 150 150 GLN CB C 30.635 . 1 1452 150 150 GLN CG C 33.549 . 1 1453 150 150 GLN N N 120.472 . 1 1454 150 150 GLN NE2 N 111.719 . 1 1455 151 151 MET H H 8.277 . 1 1456 151 151 MET HA H 4.257 . 1 1457 151 151 MET HB2 H 1.819 . 2 1458 151 151 MET HB3 H 1.819 . 2 1459 151 151 MET HE H 1.631 . 1 1460 151 151 MET HG2 H 2.157 . 2 1461 151 151 MET HG3 H 1.799 . 2 1462 151 151 MET CA C 56.166 . 1 1463 151 151 MET CB C 34.029 . 1 1464 151 151 MET CE C 27.466 . 1 1465 151 151 MET CG C 33.411 . 1 1466 151 151 MET N N 123.847 . 1 1467 152 152 TYR H H 7.703 . 1 1468 152 152 TYR HA H 4.681 . 1 1469 152 152 TYR HB2 H 2.573 . 2 1470 152 152 TYR HB3 H 2.573 . 2 1471 152 152 TYR CA C 55.122 . 1 1472 152 152 TYR CB C 41.060 . 1 1473 152 152 TYR N N 120.097 . 1 1474 153 153 PRO HA H 4.389 . 1 1475 153 153 PRO HB2 H 2.295 . 2 1476 153 153 PRO HB3 H 2.033 . 2 1477 153 153 PRO HD2 H 3.796 . 2 1478 153 153 PRO HD3 H 3.677 . 2 1479 153 153 PRO HG2 H 1.937 . 2 1480 153 153 PRO HG3 H 1.937 . 2 1481 153 153 PRO CA C 63.560 . 1 1482 153 153 PRO CB C 32.184 . 1 1483 153 153 PRO CD C 51.319 . 1 1484 153 153 PRO CG C 27.689 . 1 1485 154 154 GLY H H 8.418 . 1 1486 154 154 GLY HA2 H 3.932 . 2 1487 154 154 GLY HA3 H 3.937 . 2 1488 154 154 GLY CA C 45.278 . 1 1489 154 154 GLY N N 109.597 . 1 1490 155 155 LYS H H 8.125 . 1 1491 155 155 LYS HA H 4.229 . 1 1492 155 155 LYS HB2 H 1.986 . 2 1493 155 155 LYS HB3 H 1.986 . 2 1494 155 155 LYS HD2 H 1.644 . 2 1495 155 155 LYS HD3 H 1.580 . 2 1496 155 155 LYS HE2 H 2.709 . 2 1497 155 155 LYS HE3 H 2.560 . 2 1498 155 155 LYS HG2 H 1.398 . 2 1499 155 155 LYS HG3 H 1.398 . 2 1500 155 155 LYS CA C 56.687 . 1 1501 155 155 LYS CB C 32.230 . 1 1502 155 155 LYS CD C 26.997 . 1 1503 155 155 LYS CE C 41.529 . 1 1504 155 155 LYS CG C 25.122 . 1 1505 155 155 LYS N N 120.097 . 1 1506 156 156 GLY H H 8.390 . 1 1507 156 156 GLY HA2 H 3.850 . 2 1508 156 156 GLY HA3 H 3.850 . 2 1509 156 156 GLY CA C 46.167 . 1 1510 156 156 GLY N N 109.239 . 1 1511 157 157 GLY H H 8.242 . 1 1512 157 157 GLY HA2 H 4.162 . 2 1513 157 157 GLY HA3 H 4.027 . 2 1514 157 157 GLY CA C 45.470 . 1 1515 157 157 GLY N N 108.097 . 1 1516 158 158 GLY H H 8.086 . 1 1517 158 158 GLY HA2 H 4.056 . 2 1518 158 158 GLY HA3 H 4.069 . 2 1519 158 158 GLY CA C 45.410 . 1 1520 158 158 GLY N N 108.347 . 1 1521 159 159 SER H H 8.230 . 1 1522 159 159 SER HA H 4.458 . 1 1523 159 159 SER HB2 H 4.434 . 2 1524 159 159 SER HB3 H 4.399 . 2 1525 159 159 SER CA C 59.429 . 1 1526 159 159 SER CB C 63.209 . 1 1527 159 159 SER N N 116.722 . 1 1528 160 160 LYS H H 8.350 . 1 1529 160 160 LYS HA H 4.282 . 1 1530 160 160 LYS HB2 H 1.799 . 2 1531 160 160 LYS HB3 H 1.703 . 2 1532 160 160 LYS HD2 H 1.563 . 2 1533 160 160 LYS HD3 H 1.581 . 2 1534 160 160 LYS HE2 H 2.688 . 2 1535 160 160 LYS HE3 H 2.703 . 2 1536 160 160 LYS HG2 H 1.419 . 2 1537 160 160 LYS HG3 H 1.393 . 2 1538 160 160 LYS CA C 56.528 . 1 1539 160 160 LYS CB C 33.360 . 1 1540 160 160 LYS CD C 27.061 . 1 1541 160 160 LYS CE C 41.466 . 1 1542 160 160 LYS CG C 24.929 . 1 1543 160 160 LYS N N 122.722 . 1 1544 161 161 GLU H H 8.090 . 1 1545 161 161 GLU HA H 4.630 . 1 1546 161 161 GLU HB2 H 1.725 . 2 1547 161 161 GLU HB3 H 1.444 . 2 1548 161 161 GLU HG2 H 2.091 . 2 1549 161 161 GLU HG3 H 2.091 . 2 1550 161 161 GLU CA C 54.185 . 1 1551 161 161 GLU CB C 30.279 . 1 1552 161 161 GLU CG C 31.685 . 1 1553 161 161 GLU N N 122.722 . 1 1554 162 162 LYS H H 8.642 . 1 1555 162 162 LYS HA H 4.585 . 1 1556 162 162 LYS HB2 H 1.787 . 2 1557 162 162 LYS HB3 H 1.787 . 2 1558 162 162 LYS HD2 H 1.584 . 2 1559 162 162 LYS HD3 H 1.584 . 2 1560 162 162 LYS HE2 H 2.998 . 2 1561 162 162 LYS HE3 H 2.805 . 2 1562 162 162 LYS HG2 H 1.444 . 2 1563 162 162 LYS HG3 H 1.444 . 2 1564 162 162 LYS CA C 54.623 . 1 1565 162 162 LYS CB C 33.091 . 1 1566 162 162 LYS CD C 26.997 . 1 1567 162 162 LYS CE C 42.229 . 1 1568 162 162 LYS CG C 24.653 . 1 1569 162 162 LYS N N 121.354 . 1 1570 163 163 ASN H H 8.242 . 1 1571 163 163 ASN HA H 4.856 . 1 1572 163 163 ASN HB2 H 2.756 . 2 1573 163 163 ASN HB3 H 2.569 . 2 1574 163 163 ASN HD21 H 7.562 . 2 1575 163 163 ASN HD22 H 6.883 . 2 1576 163 163 ASN CA C 51.948 . 1 1577 163 163 ASN CB C 41.529 . 1 1578 163 163 ASN N N 122.347 . 1 1579 163 163 ASN ND2 N 112.310 . 1 1580 164 164 LYS H H 7.925 . 1 1581 164 164 LYS HA H 4.355 . 1 1582 164 164 LYS HB2 H 1.828 . 2 1583 164 164 LYS HB3 H 1.827 . 2 1584 164 164 LYS HD2 H 1.711 . 2 1585 164 164 LYS HD3 H 1.699 . 2 1586 164 164 LYS HE2 H 2.983 . 2 1587 164 164 LYS HE3 H 2.983 . 2 1588 164 164 LYS HG2 H 1.390 . 2 1589 164 164 LYS HG3 H 1.293 . 2 1590 164 164 LYS CA C 56.528 . 1 1591 164 164 LYS CB C 33.134 . 1 1592 164 164 LYS CD C 29.451 . 1 1593 164 164 LYS CE C 42.344 . 1 1594 164 164 LYS CG C 25.132 . 1 1595 164 164 LYS N N 120.630 . 1 1596 165 165 THR H H 8.137 . 1 1597 165 165 THR HA H 4.295 . 1 1598 165 165 THR HB H 4.106 . 1 1599 165 165 THR HG2 H 1.163 . 1 1600 165 165 THR CA C 62.154 . 1 1601 165 165 THR CB C 69.770 . 1 1602 165 165 THR CG2 C 21.841 . 1 1603 165 165 THR N N 115.597 . 1 1604 166 166 LYS H H 8.324 . 1 1605 166 166 LYS HA H 4.298 . 1 1606 166 166 LYS HB2 H 1.725 . 2 1607 166 166 LYS HB3 H 1.725 . 2 1608 166 166 LYS HD2 H 1.919 . 2 1609 166 166 LYS HD3 H 1.919 . 2 1610 166 166 LYS HE2 H 3.446 . 2 1611 166 166 LYS HE3 H 3.446 . 2 1612 166 166 LYS HG2 H 1.214 . 2 1613 166 166 LYS HG3 H 1.214 . 2 1614 166 166 LYS CA C 56.528 . 1 1615 166 166 LYS CB C 32.622 . 1 1616 166 166 LYS CD C 30.747 . 1 1617 166 166 LYS CE C 41.060 . 1 1618 166 166 LYS CG C 22.450 . 1 1619 166 166 LYS N N 124.972 . 1 1620 167 167 PRO HA H 4.381 . 1 1621 167 167 PRO HB2 H 2.000 . 2 1622 167 167 PRO HB3 H 2.000 . 2 1623 167 167 PRO HD2 H 3.790 . 2 1624 167 167 PRO HD3 H 3.601 . 2 1625 167 167 PRO HG2 H 1.844 . 2 1626 167 167 PRO HG3 H 1.844 . 2 1627 167 167 PRO CA C 63.091 . 1 1628 167 167 PRO CB C 32.180 . 1 1629 167 167 PRO CD C 50.698 . 1 1630 167 167 PRO CG C 27.493 . 1 1631 168 168 GLU H H 8.336 . 1 1632 168 168 GLU HA H 4.267 . 1 1633 168 168 GLU HB2 H 1.913 . 2 1634 168 168 GLU HB3 H 1.906 . 2 1635 168 168 GLU HG2 H 2.288 . 2 1636 168 168 GLU HG3 H 2.194 . 2 1637 168 168 GLU CA C 56.092 . 1 1638 168 168 GLU CB C 30.264 . 1 1639 168 168 GLU CG C 36.372 . 1 1640 168 168 GLU N N 121.222 . 1 1641 169 169 LYS H H 7.890 . 1 1642 169 169 LYS HA H 4.227 . 1 1643 169 169 LYS HB2 H 1.808 . 2 1644 169 169 LYS HB3 H 1.771 . 2 1645 169 169 LYS HD2 H 1.689 . 2 1646 169 169 LYS HD3 H 1.678 . 2 1647 169 169 LYS HE2 H 2.658 . 2 1648 169 169 LYS HE3 H 2.620 . 2 1649 169 169 LYS HG2 H 1.425 . 2 1650 169 169 LYS HG3 H 1.397 . 2 1651 169 169 LYS CA C 56.723 . 1 1652 169 169 LYS CB C 33.090 . 1 1653 169 169 LYS CD C 29.341 . 1 1654 169 169 LYS CE C 41.524 . 1 1655 169 169 LYS CG C 24.724 . 1 1656 169 169 LYS N N 121.222 . 1 1657 170 170 ALA H H 8.242 . 1 1658 170 170 ALA HA H 4.272 . 1 1659 170 170 ALA HB H 1.361 . 1 1660 170 170 ALA CA C 52.294 . 1 1661 170 170 ALA CB C 19.351 . 1 1662 170 170 ALA N N 124.972 . 1 1663 171 171 LYS H H 8.242 . 1 1664 171 171 LYS HA H 4.256 . 1 1665 171 171 LYS HB2 H 1.774 . 2 1666 171 171 LYS HB3 H 1.725 . 2 1667 171 171 LYS HD2 H 1.700 . 2 1668 171 171 LYS HD3 H 1.678 . 2 1669 171 171 LYS HE2 H 2.684 . 2 1670 171 171 LYS HE3 H 2.654 . 2 1671 171 171 LYS HG2 H 1.436 . 2 1672 171 171 LYS HG3 H 1.436 . 2 1673 171 171 LYS CA C 56.528 . 1 1674 171 171 LYS CB C 33.091 . 1 1675 171 171 LYS CD C 29.341 . 1 1676 171 171 LYS CE C 41.538 . 1 1677 171 171 LYS CG C 25.122 . 1 1678 171 171 LYS N N 121.597 . 1 1679 172 172 LYS H H 8.301 . 1 1680 172 172 LYS HA H 4.249 . 1 1681 172 172 LYS HB2 H 1.845 . 2 1682 172 172 LYS HB3 H 1.797 . 2 1683 172 172 LYS HD2 H 1.772 . 2 1684 172 172 LYS HD3 H 1.678 . 2 1685 172 172 LYS HE2 H 2.811 . 2 1686 172 172 LYS HE3 H 2.811 . 2 1687 172 172 LYS HG2 H 1.420 . 2 1688 172 172 LYS HG3 H 1.402 . 2 1689 172 172 LYS CA C 56.528 . 1 1690 172 172 LYS CB C 33.574 . 1 1691 172 172 LYS CD C 30.279 . 1 1692 172 172 LYS CE C 41.516 . 1 1693 172 172 LYS CG C 24.653 . 1 1694 172 172 LYS N N 123.097 . 1 1695 173 173 LYS H H 8.383 . 1 1696 173 173 LYS HA H 4.305 . 1 1697 173 173 LYS HB2 H 1.852 . 2 1698 173 173 LYS HB3 H 1.852 . 2 1699 173 173 LYS HD2 H 1.692 . 2 1700 173 173 LYS HD3 H 1.692 . 2 1701 173 173 LYS HE2 H 2.985 . 2 1702 173 173 LYS HE3 H 2.985 . 2 1703 173 173 LYS HG2 H 1.400 . 2 1704 173 173 LYS HG3 H 1.400 . 2 1705 173 173 LYS CA C 56.820 . 1 1706 173 173 LYS CB C 33.221 . 1 1707 173 173 LYS CD C 29.392 . 1 1708 173 173 LYS CE C 42.226 . 1 1709 173 173 LYS CG C 24.793 . 1 1710 173 173 LYS N N 121.222 . 1 1711 174 174 GLU H H 8.383 . 1 1712 174 174 GLU HA H 4.287 . 1 1713 174 174 GLU HB2 H 2.053 . 2 1714 174 174 GLU HB3 H 1.868 . 2 1715 174 174 GLU HG2 H 2.241 . 2 1716 174 174 GLU HG3 H 2.230 . 2 1717 174 174 GLU CA C 56.668 . 1 1718 174 174 GLU CB C 30.747 . 1 1719 174 174 GLU CG C 36.592 . 1 1720 174 174 GLU N N 121.222 . 1 1721 175 175 GLY H H 8.348 . 1 1722 175 175 GLY HA2 H 4.170 . 2 1723 175 175 GLY HA3 H 4.160 . 2 1724 175 175 GLY CA C 45.747 . 1 1725 175 175 GLY N N 106.597 . 1 1726 176 176 ASP H H 7.785 . 1 1727 176 176 ASP HA H 4.790 . 1 1728 176 176 ASP HB2 H 2.463 . 2 1729 176 176 ASP HB3 H 2.463 . 2 1730 176 176 ASP CA C 53.946 . 1 1731 176 176 ASP CB C 42.935 . 1 1732 176 176 ASP N N 119.722 . 1 1733 177 177 PRO HA H 4.402 . 1 1734 177 177 PRO HB2 H 2.292 . 2 1735 177 177 PRO HB3 H 2.292 . 2 1736 177 177 PRO HD2 H 3.774 . 2 1737 177 177 PRO HD3 H 3.612 . 2 1738 177 177 PRO HG2 H 1.989 . 2 1739 177 177 PRO HG3 H 1.852 . 2 1740 177 177 PRO CA C 63.088 . 1 1741 177 177 PRO CB C 32.372 . 1 1742 177 177 PRO CD C 50.713 . 1 1743 177 177 PRO CG C 27.625 . 1 1744 178 178 LYS H H 8.406 . 1 1745 178 178 LYS HA H 4.250 . 1 1746 178 178 LYS HB2 H 1.796 . 2 1747 178 178 LYS HB3 H 1.796 . 2 1748 178 178 LYS HD2 H 1.608 . 2 1749 178 178 LYS HD3 H 1.608 . 2 1750 178 178 LYS HE2 H 2.709 . 2 1751 178 178 LYS HE3 H 2.569 . 2 1752 178 178 LYS HG2 H 1.419 . 2 1753 178 178 LYS HG3 H 1.419 . 2 1754 178 178 LYS CA C 56.148 . 1 1755 178 178 LYS CB C 31.216 . 1 1756 178 178 LYS CD C 27.568 . 1 1757 178 178 LYS CE C 41.529 . 1 1758 178 178 LYS CG C 25.048 . 1 1759 178 178 LYS N N 121.597 . 1 1760 179 179 PRO HA H 4.394 . 1 1761 179 179 PRO HB2 H 2.241 . 2 1762 179 179 PRO HB3 H 2.241 . 2 1763 179 179 PRO HD2 H 3.741 . 2 1764 179 179 PRO HD3 H 3.569 . 2 1765 179 179 PRO HG2 H 1.884 . 2 1766 179 179 PRO HG3 H 1.919 . 2 1767 179 179 PRO CA C 63.091 . 1 1768 179 179 PRO CB C 31.967 . 1 1769 179 179 PRO CD C 50.567 . 1 1770 179 179 PRO CG C 27.630 . 1 1771 180 180 ARG H H 8.066 . 1 1772 180 180 ARG HA H 4.303 . 1 1773 180 180 ARG HB2 H 1.954 . 2 1774 180 180 ARG HB3 H 1.961 . 2 1775 180 180 ARG HD2 H 3.127 . 2 1776 180 180 ARG HD3 H 3.127 . 2 1777 180 180 ARG HG2 H 1.629 . 2 1778 180 180 ARG HG3 H 1.629 . 2 1779 180 180 ARG CA C 56.060 . 1 1780 180 180 ARG CB C 30.299 . 1 1781 180 180 ARG CD C 43.738 . 1 1782 180 180 ARG CG C 27.246 . 1 1783 180 180 ARG N N 120.472 . 1 1784 181 181 ALA H H 8.359 . 1 1785 181 181 ALA HA H 4.352 . 1 1786 181 181 ALA HB H 1.352 . 1 1787 181 181 ALA CA C 52.310 . 1 1788 181 181 ALA CB C 19.466 . 1 1789 181 181 ALA N N 125.310 . 1 1790 182 182 SER H H 8.148 . 1 1791 182 182 SER HA H 4.430 . 1 1792 182 182 SER HB2 H 3.912 . 2 1793 182 182 SER HB3 H 3.912 . 2 1794 182 182 SER CA C 59.867 . 1 1795 182 182 SER CB C 63.560 . 1 1796 182 182 SER N N 116.722 . 1 1797 183 183 LYS H H 7.726 . 1 1798 183 183 LYS HA H 4.046 . 1 1799 183 183 LYS HB2 H 1.870 . 2 1800 183 183 LYS HB3 H 1.710 . 2 1801 183 183 LYS HD2 H 1.538 . 2 1802 183 183 LYS HD3 H 1.397 . 2 1803 183 183 LYS HE2 H 2.707 . 2 1804 183 183 LYS HE3 H 2.603 . 2 1805 183 183 LYS HG2 H 1.394 . 2 1806 183 183 LYS HG3 H 1.387 . 2 1807 183 183 LYS CA C 57.002 . 1 1808 183 183 LYS CB C 33.020 . 1 1809 183 183 LYS CD C 27.466 . 1 1810 183 183 LYS CE C 41.655 . 1 1811 183 183 LYS CG C 25.122 . 1 1812 183 183 LYS N N 121.222 . 1 1813 184 184 GLU H H 8.430 . 1 1814 184 184 GLU HA H 4.278 . 1 1815 184 184 GLU HB2 H 1.929 . 2 1816 184 184 GLU HB3 H 1.725 . 2 1817 184 184 GLU HG2 H 2.241 . 2 1818 184 184 GLU HG3 H 2.200 . 2 1819 184 184 GLU CA C 56.451 . 1 1820 184 184 GLU CB C 30.715 . 1 1821 184 184 GLU CG C 36.372 . 1 1822 184 184 GLU N N 122.722 . 1 1823 185 185 ASP H H 8.113 . 1 1824 185 185 ASP HA H 4.617 . 1 1825 185 185 ASP HB2 H 2.678 . 2 1826 185 185 ASP HB3 H 2.557 . 2 1827 185 185 ASP CA C 54.186 . 1 1828 185 185 ASP CB C 41.462 . 1 1829 185 185 ASP N N 120.097 . 1 1830 186 186 ASN H H 8.137 . 1 1831 186 186 ASN HA H 4.846 . 1 1832 186 186 ASN HB2 H 2.756 . 2 1833 186 186 ASN HB3 H 2.547 . 2 1834 186 186 ASN HD21 H 7.602 . 2 1835 186 186 ASN HD22 H 6.935 . 2 1836 186 186 ASN CA C 51.889 . 1 1837 186 186 ASN CB C 41.525 . 1 1838 186 186 ASN N N 122.722 . 1 1839 186 186 ASN ND2 N 112.901 . 1 1840 187 187 ARG H H 8.137 . 1 1841 187 187 ARG HA H 4.251 . 1 1842 187 187 ARG HB2 H 1.725 . 2 1843 187 187 ARG HB3 H 1.715 . 2 1844 187 187 ARG HD2 H 3.181 . 2 1845 187 187 ARG HD3 H 3.136 . 2 1846 187 187 ARG HG2 H 1.597 . 2 1847 187 187 ARG HG3 H 1.530 . 2 1848 187 187 ARG CA C 56.531 . 1 1849 187 187 ARG CB C 30.747 . 1 1850 187 187 ARG CD C 43.349 . 1 1851 187 187 ARG CG C 27.041 . 1 1852 187 187 ARG N N 119.722 . 1 1853 188 188 ALA H H 8.254 . 1 1854 188 188 ALA HA H 4.313 . 1 1855 188 188 ALA HB H 1.400 . 1 1856 188 188 ALA CA C 53.219 . 1 1857 188 188 ALA CB C 19.674 . 1 1858 188 188 ALA N N 124.222 . 1 1859 189 189 GLY H H 8.324 . 1 1860 189 189 GLY HA2 H 4.089 . 2 1861 189 189 GLY HA3 H 3.921 . 2 1862 189 189 GLY CA C 45.285 . 1 1863 189 189 GLY N N 107.722 . 1 1864 190 190 SER H H 8.137 . 1 1865 190 190 SER HA H 4.719 . 1 1866 190 190 SER HB2 H 4.532 . 2 1867 190 190 SER HB3 H 4.532 . 2 1868 190 190 SER CA C 58.403 . 1 1869 190 190 SER CB C 63.091 . 1 1870 190 190 SER N N 116.722 . 1 1871 191 191 ARG H H 7.972 . 1 1872 191 191 ARG HA H 4.138 . 1 1873 191 191 ARG HB2 H 2.006 . 2 1874 191 191 ARG HB3 H 2.006 . 2 1875 191 191 ARG HD2 H 3.143 . 2 1876 191 191 ARG HD3 H 2.935 . 2 1877 191 191 ARG HG2 H 1.866 . 2 1878 191 191 ARG HG3 H 1.584 . 2 1879 191 191 ARG CA C 57.333 . 1 1880 191 191 ARG CB C 32.154 . 1 1881 191 191 ARG CD C 42.936 . 1 1882 191 191 ARG CG C 26.997 . 1 1883 191 191 ARG N N 127.492 . 1 1884 192 192 ARG H H 8.055 . 1 1885 192 192 ARG HA H 4.256 . 1 1886 192 192 ARG HB2 H 2.008 . 2 1887 192 192 ARG HB3 H 2.008 . 2 1888 192 192 ARG HD2 H 2.709 . 2 1889 192 192 ARG HD3 H 2.569 . 2 1890 192 192 ARG HG2 H 1.397 . 2 1891 192 192 ARG HG3 H 1.116 . 2 1892 192 192 ARG CA C 56.528 . 1 1893 192 192 ARG CB C 32.435 . 1 1894 192 192 ARG CD C 41.529 . 1 1895 192 192 ARG CG C 27.466 . 1 1896 192 192 ARG N N 121.972 . 1 1897 193 193 GLU H H 8.631 . 1 1898 193 193 GLU HA H 4.295 . 1 1899 193 193 GLU HB2 H 1.859 . 2 1900 193 193 GLU HB3 H 1.866 . 2 1901 193 193 GLU HG2 H 2.242 . 2 1902 193 193 GLU HG3 H 2.241 . 2 1903 193 193 GLU CA C 56.887 . 1 1904 193 193 GLU CB C 30.714 . 1 1905 193 193 GLU CG C 36.372 . 1 1906 193 193 GLU N N 121.222 . 1 1907 194 194 ASP H H 8.359 . 1 1908 194 194 ASP HA H 4.603 . 1 1909 194 194 ASP HB2 H 2.709 . 2 1910 194 194 ASP HB3 H 2.569 . 2 1911 194 194 ASP CA C 54.314 . 1 1912 194 194 ASP CB C 41.060 . 1 1913 194 194 ASP N N 120.847 . 1 1914 195 195 LEU H H 7.609 . 1 1915 195 195 LEU HA H 4.177 . 1 1916 195 195 LEU HB2 H 1.604 . 2 1917 195 195 LEU HB3 H 1.604 . 2 1918 195 195 LEU HG H 1.429 . 1 1919 195 195 LEU CA C 56.528 . 1 1920 195 195 LEU CB C 43.404 . 1 1921 195 195 LEU CG C 27.466 . 1 1922 195 195 LEU N N 127.222 . 1 stop_ save_