data_18179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of E60A mutant AGR2 ; _BMRB_accession_number 18179 _BMRB_flat_file_name bmr18179.str _Entry_type original _Submission_date 2012-01-04 _Accession_date 2012-01-04 _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 Patel Pryank . . 2 Clarke Christopher J. . 3 Barraclough Dong L. . 4 Rudland Philip S. . 5 Barraclough Roger . . 6 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 517 "13C chemical shifts" 424 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-12 update BMRB 'update entry citation' 2013-01-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23274113 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Patel Pryank . . 2 Clarke Christopher . . 3 Barraclough 'Dong Liu' . . 4 Jowitt 'Thomas Adam' . . 5 Rudland 'Philip Spencer' . . 6 Barraclough Roger . . 7 Lian Lu-Yun . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 425 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 929 _Page_last 943 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'E60A mutant AGR2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E60A mutant AGR2' $AGR2_E60A 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_AGR2_E60A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AGR2_E60A _Molecular_mass 14457.855 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; IDPFTPQTLSRGWGDQLIWT QTYEAALYKSKTSNKPLMII HHLDECPHSQALKKVFAENK EIQKLAEQFVLLNLVYETTD KHLSPDGQYVPRIMFVDPSL TVRADITGRYSNRLYAYEPA DTALLLDNMKKALKLLKTEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 36 ILE 2 37 ASP 3 38 PRO 4 39 PHE 5 40 THR 6 41 PRO 7 42 GLN 8 43 THR 9 44 LEU 10 45 SER 11 46 ARG 12 47 GLY 13 48 TRP 14 49 GLY 15 50 ASP 16 51 GLN 17 52 LEU 18 53 ILE 19 54 TRP 20 55 THR 21 56 GLN 22 57 THR 23 58 TYR 24 59 GLU 25 60 ALA 26 61 ALA 27 62 LEU 28 63 TYR 29 64 LYS 30 65 SER 31 66 LYS 32 67 THR 33 68 SER 34 69 ASN 35 70 LYS 36 71 PRO 37 72 LEU 38 73 MET 39 74 ILE 40 75 ILE 41 76 HIS 42 77 HIS 43 78 LEU 44 79 ASP 45 80 GLU 46 81 CYS 47 82 PRO 48 83 HIS 49 84 SER 50 85 GLN 51 86 ALA 52 87 LEU 53 88 LYS 54 89 LYS 55 90 VAL 56 91 PHE 57 92 ALA 58 93 GLU 59 94 ASN 60 95 LYS 61 96 GLU 62 97 ILE 63 98 GLN 64 99 LYS 65 100 LEU 66 101 ALA 67 102 GLU 68 103 GLN 69 104 PHE 70 105 VAL 71 106 LEU 72 107 LEU 73 108 ASN 74 109 LEU 75 110 VAL 76 111 TYR 77 112 GLU 78 113 THR 79 114 THR 80 115 ASP 81 116 LYS 82 117 HIS 83 118 LEU 84 119 SER 85 120 PRO 86 121 ASP 87 122 GLY 88 123 GLN 89 124 TYR 90 125 VAL 91 126 PRO 92 127 ARG 93 128 ILE 94 129 MET 95 130 PHE 96 131 VAL 97 132 ASP 98 133 PRO 99 134 SER 100 135 LEU 101 136 THR 102 137 VAL 103 138 ARG 104 139 ALA 105 140 ASP 106 141 ILE 107 142 THR 108 143 GLY 109 144 ARG 110 145 TYR 111 146 SER 112 147 ASN 113 148 ARG 114 149 LEU 115 150 TYR 116 151 ALA 117 152 TYR 118 153 GLU 119 154 PRO 120 155 ALA 121 156 ASP 122 157 THR 123 158 ALA 124 159 LEU 125 160 LEU 126 161 LEU 127 162 ASP 128 163 ASN 129 164 MET 130 165 LYS 131 166 LYS 132 167 ALA 133 168 LEU 134 169 LYS 135 170 LEU 136 171 LEU 137 172 LYS 138 173 THR 139 174 GLU 140 175 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 18178 AGR2 100.00 140 99.29 99.29 2.36e-97 PDB 2LNS "Solution Structure Of Agr2 Residues 41-175" 100.00 140 99.29 99.29 2.36e-97 PDB 2LNT "Solution Structure Of E60a Mutant Agr2" 100.00 140 100.00 100.00 3.45e-98 DBJ BAD96787 "anterior gradient 2 homolog [Homo sapiens]" 98.57 175 97.10 97.10 3.09e-92 DBJ BAG35784 "unnamed protein product [Homo sapiens]" 98.57 175 97.10 97.83 5.10e-93 EMBL CAH92219 "hypothetical protein [Pongo abelii]" 98.57 175 97.10 97.10 4.83e-93 GB AAC77358 "secreted cement gland protein XAG-2 homolog [Homo sapiens]" 98.57 175 97.83 97.83 2.25e-93 GB AAC82614 "secreted cement gland protein XAG-2 homolog [Homo sapiens]" 98.57 175 97.83 97.83 2.25e-93 GB AAF22484 "putative secreted protein XAG [Homo sapiens]" 98.57 175 97.83 97.83 2.25e-93 GB AAH15503 "Anterior gradient homolog 2 (Xenopus laevis) [Homo sapiens]" 98.57 175 97.83 97.83 2.25e-93 GB AAL54870 "XAG-2 homolog long protein [Homo sapiens]" 98.57 175 97.83 97.83 2.25e-93 REF NP_001127525 "anterior gradient protein 2 homolog precursor [Pongo abelii]" 98.57 175 97.10 97.10 4.83e-93 REF NP_001181233 "anterior gradient protein 2 homolog precursor [Macaca mulatta]" 98.57 175 97.10 97.83 4.01e-93 REF NP_006399 "anterior gradient protein 2 homolog precursor [Homo sapiens]" 98.57 175 97.83 97.83 2.25e-93 REF XP_002751578 "PREDICTED: anterior gradient protein 2 homolog [Callithrix jacchus]" 98.57 175 97.10 97.83 3.06e-93 REF XP_002751579 "PREDICTED: anterior gradient protein 2 homolog [Callithrix jacchus]" 98.57 175 97.10 97.83 3.06e-93 SP O95994 "RecName: Full=Anterior gradient protein 2 homolog; Short=AG-2; Short=hAG-2; AltName: Full=HPC8; AltName: Full=Secreted cement g" 98.57 175 97.83 97.83 2.25e-93 SP Q5R7P1 "RecName: Full=Anterior gradient protein 2 homolog; Flags: Precursor" 98.57 175 97.10 97.10 4.83e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AGR2_E60A 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 $AGR2_E60A 'recombinant technology' . Escherichia coli . pET-151D 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 $AGR2_E60A 0.3 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' MES 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 'filamentous virus' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AGR2_E60A 0.3 mM [U-15N] 'Pf1 phage' 10 mg 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' MES 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_IPAP_11 _Saveframe_category NMR_applied_experiment _Experiment_name IPAP _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _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' 0.1 . M pH 6.5 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' 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 'E60A mutant AGR2' _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 51 16 GLN H H 8.904 0.027 1 2 51 16 GLN HA H 4.488 0.017 1 3 51 16 GLN CA C 55.438 0.029 1 4 51 16 GLN CB C 28.083 0.046 1 5 51 16 GLN N N 117.187 0.031 1 6 52 17 LEU H H 7.103 0.006 1 7 52 17 LEU HA H 4.317 0.011 1 8 52 17 LEU HB2 H 1.510 0.027 1 9 52 17 LEU HB3 H 0.806 0.010 1 10 52 17 LEU HD1 H 0.764 0.016 1 11 52 17 LEU CA C 53.456 0.040 1 12 52 17 LEU CB C 42.494 0.005 1 13 52 17 LEU CD1 C 22.506 0.017 1 14 52 17 LEU N N 120.529 0.048 1 15 53 18 ILE HB H 1.757 0.004 1 16 53 18 ILE HG2 H 0.766 0.010 1 17 53 18 ILE HD1 H 0.752 0.009 1 18 53 18 ILE CB C 36.458 0.027 1 19 53 18 ILE CG2 C 17.451 0.016 1 20 53 18 ILE CD1 C 11.629 0.006 1 21 58 23 TYR HA H 4.359 0.007 1 22 58 23 TYR HB2 H 2.962 0.010 1 23 58 23 TYR HB3 H 2.962 0.010 1 24 58 23 TYR HD1 H 6.912 0.022 3 25 58 23 TYR HD2 H 6.912 0.022 3 26 58 23 TYR C C 176.387 0.000 1 27 58 23 TYR CA C 59.597 0.042 1 28 58 23 TYR CB C 38.572 0.035 1 29 58 23 TYR CD1 C 131.620 0.070 3 30 58 23 TYR CD2 C 131.620 0.070 3 31 59 24 GLU H H 9.191 0.010 1 32 59 24 GLU CA C 60.871 0.073 1 33 59 24 GLU CB C 28.494 0.053 1 34 59 24 GLU N N 117.335 0.069 1 35 60 25 ALA H H 7.688 0.006 1 36 60 25 ALA CA C 54.555 0.019 1 37 60 25 ALA CB C 18.528 0.055 1 38 60 25 ALA N N 120.861 0.058 1 39 61 26 ALA H H 8.225 0.014 1 40 61 26 ALA HA H 3.900 0.006 1 41 61 26 ALA HB H 1.526 0.011 1 42 61 26 ALA CA C 55.346 0.044 1 43 61 26 ALA CB C 19.104 0.049 1 44 61 26 ALA N N 123.402 0.072 1 45 62 27 LEU H H 8.336 0.025 1 46 62 27 LEU HA H 3.700 0.009 1 47 62 27 LEU HB2 H 1.578 0.009 1 48 62 27 LEU HB3 H 1.203 0.011 1 49 62 27 LEU HD1 H 0.227 0.003 1 50 62 27 LEU HD2 H 0.595 0.009 1 51 62 27 LEU C C 171.911 0.000 1 52 62 27 LEU CA C 57.654 0.038 1 53 62 27 LEU CB C 41.905 0.021 1 54 62 27 LEU CD1 C 25.020 0.018 1 55 62 27 LEU CD2 C 22.327 0.059 1 56 62 27 LEU N N 118.742 0.017 1 57 63 28 TYR H H 7.279 0.006 1 58 63 28 TYR HA H 4.007 0.008 1 59 63 28 TYR HB2 H 3.097 0.011 1 60 63 28 TYR HB3 H 3.001 0.000 1 61 63 28 TYR HD1 H 6.999 0.011 3 62 63 28 TYR HD2 H 6.999 0.011 3 63 63 28 TYR HE1 H 6.742 0.025 3 64 63 28 TYR HE2 H 6.742 0.025 3 65 63 28 TYR C C 179.075 0.000 1 66 63 28 TYR CA C 61.769 0.015 1 67 63 28 TYR CB C 38.071 0.040 1 68 63 28 TYR CD1 C 133.051 0.000 3 69 63 28 TYR CD2 C 133.051 0.000 3 70 63 28 TYR CE1 C 117.735 0.000 3 71 63 28 TYR CE2 C 117.735 0.000 3 72 63 28 TYR N N 117.594 0.064 1 73 64 29 LYS H H 8.472 0.011 1 74 64 29 LYS HA H 3.663 0.003 1 75 64 29 LYS HB2 H 1.874 0.005 1 76 64 29 LYS HB3 H 1.874 0.006 1 77 64 29 LYS HG2 H 1.580 0.007 1 78 64 29 LYS HG3 H 1.431 0.006 1 79 64 29 LYS C C 176.394 0.000 1 80 64 29 LYS CA C 59.230 0.035 1 81 64 29 LYS CB C 32.573 0.016 1 82 64 29 LYS CG C 25.473 0.042 1 83 64 29 LYS N N 121.077 0.043 1 84 65 30 SER H H 8.500 0.012 1 85 65 30 SER HA H 4.160 0.004 1 86 65 30 SER HB2 H 3.818 0.012 1 87 65 30 SER HB3 H 3.732 0.005 1 88 65 30 SER C C 176.518 0.000 1 89 65 30 SER CA C 61.706 0.028 1 90 65 30 SER CB C 64.022 0.047 1 91 65 30 SER N N 117.933 0.046 1 92 66 31 LYS H H 8.020 0.011 1 93 66 31 LYS HA H 4.301 0.007 1 94 66 31 LYS HB2 H 1.926 0.009 1 95 66 31 LYS HB3 H 1.921 0.011 1 96 66 31 LYS HG2 H 1.357 0.007 1 97 66 31 LYS HG3 H 1.354 0.006 1 98 66 31 LYS C C 179.721 0.000 1 99 66 31 LYS CA C 59.165 0.027 1 100 66 31 LYS CB C 32.372 0.027 1 101 66 31 LYS CG C 24.286 0.050 1 102 66 31 LYS N N 117.248 0.036 1 103 67 32 THR H H 7.844 0.005 1 104 67 32 THR HA H 3.883 0.006 1 105 67 32 THR HB H 3.903 0.006 1 106 67 32 THR HG2 H 0.850 0.011 1 107 67 32 THR C C 176.237 0.010 1 108 67 32 THR CA C 64.813 0.048 1 109 67 32 THR CB C 69.445 0.057 1 110 67 32 THR CG2 C 21.460 0.026 1 111 67 32 THR N N 109.772 0.090 1 112 68 33 SER H H 8.047 0.008 1 113 68 33 SER HA H 4.369 0.009 1 114 68 33 SER HB2 H 3.816 0.008 1 115 68 33 SER HB3 H 3.814 0.008 1 116 68 33 SER C C 174.628 0.006 1 117 68 33 SER CA C 59.242 0.061 1 118 68 33 SER CB C 65.166 0.029 1 119 68 33 SER N N 115.610 0.039 1 120 69 34 ASN H H 8.061 0.010 1 121 69 34 ASN HA H 4.181 0.008 1 122 69 34 ASN HB2 H 3.226 0.002 1 123 69 34 ASN HB3 H 2.369 0.018 1 124 69 34 ASN HD21 H 7.366 0.009 1 125 69 34 ASN HD22 H 6.428 0.002 1 126 69 34 ASN C C 173.253 0.038 1 127 69 34 ASN CA C 54.302 0.046 1 128 69 34 ASN CB C 38.506 0.021 1 129 69 34 ASN N N 110.215 0.041 1 130 69 34 ASN ND2 N 110.197 0.028 1 131 70 35 LYS H H 7.589 0.007 1 132 70 35 LYS HA H 4.676 0.011 1 133 70 35 LYS HB2 H 1.675 0.010 1 134 70 35 LYS HB3 H 1.388 0.022 1 135 70 35 LYS HD2 H 1.392 0.011 1 136 70 35 LYS HD3 H 1.301 0.010 1 137 70 35 LYS HE2 H 2.707 0.004 1 138 70 35 LYS HE3 H 2.709 0.004 1 139 70 35 LYS CA C 53.385 0.041 1 140 70 35 LYS CB C 34.049 0.041 1 141 70 35 LYS CD C 29.196 0.027 1 142 70 35 LYS CE C 42.291 0.049 1 143 70 35 LYS N N 117.312 0.043 1 144 71 36 PRO HA H 4.371 0.002 1 145 71 36 PRO HB2 H 2.065 0.031 1 146 71 36 PRO HB3 H 1.847 0.012 1 147 71 36 PRO HD2 H 3.070 0.004 1 148 71 36 PRO HD3 H 3.797 0.016 1 149 71 36 PRO C C 172.189 0.001 1 150 71 36 PRO CA C 62.356 0.020 1 151 71 36 PRO CB C 31.785 0.040 1 152 71 36 PRO CD C 51.194 0.015 1 153 72 37 LEU H H 8.936 0.013 1 154 72 37 LEU HA H 5.392 0.007 1 155 72 37 LEU HB2 H 1.834 0.020 1 156 72 37 LEU HB3 H 1.308 0.034 1 157 72 37 LEU HD1 H 0.710 0.008 1 158 72 37 LEU HD2 H 0.704 0.018 1 159 72 37 LEU C C 174.422 0.013 1 160 72 37 LEU CA C 52.656 0.056 1 161 72 37 LEU CB C 45.220 0.033 1 162 72 37 LEU CD1 C 24.889 0.017 1 163 72 37 LEU CD2 C 26.844 0.016 1 164 72 37 LEU N N 122.894 0.046 1 165 73 38 MET H H 8.965 0.009 1 166 73 38 MET C C 172.488 0.008 1 167 73 38 MET CA C 54.806 0.043 1 168 73 38 MET CB C 35.127 0.087 1 169 73 38 MET N N 128.922 0.037 1 170 74 39 ILE H H 8.727 0.005 1 171 74 39 ILE HA H 4.819 0.013 1 172 74 39 ILE HB H 1.411 0.023 1 173 74 39 ILE HG2 H 0.123 0.009 1 174 74 39 ILE HD1 H 0.763 0.022 1 175 74 39 ILE C C 175.018 0.010 1 176 74 39 ILE CA C 59.688 0.004 1 177 74 39 ILE CB C 40.407 0.031 1 178 74 39 ILE CG2 C 17.658 0.098 1 179 74 39 ILE CD1 C 16.436 0.101 1 180 74 39 ILE N N 124.016 0.034 1 181 75 40 ILE H H 8.587 0.003 1 182 75 40 ILE HA H 4.038 0.015 1 183 75 40 ILE HB H 0.654 0.018 1 184 75 40 ILE HG12 H 1.014 0.009 1 185 75 40 ILE HG13 H 0.122 0.010 1 186 75 40 ILE HG2 H -0.930 0.004 1 187 75 40 ILE HD1 H -0.036 0.006 1 188 75 40 ILE C C 175.282 0.000 1 189 75 40 ILE CA C 60.408 0.055 1 190 75 40 ILE CB C 40.028 0.073 1 191 75 40 ILE CG1 C 27.075 0.020 1 192 75 40 ILE CG2 C 15.265 0.020 1 193 75 40 ILE CD1 C 14.283 0.011 1 194 75 40 ILE N N 126.837 0.060 1 195 76 41 HIS H H 9.145 0.011 1 196 76 41 HIS CA C 56.453 0.038 1 197 76 41 HIS CB C 29.368 0.000 1 198 76 41 HIS N N 128.633 0.051 1 199 77 42 HIS HA H 4.822 0.013 1 200 77 42 HIS HB2 H 3.121 0.011 1 201 77 42 HIS HB3 H 3.121 0.011 1 202 77 42 HIS C C 170.942 0.000 1 203 77 42 HIS CA C 54.441 0.000 1 204 77 42 HIS CB C 34.768 0.000 1 205 78 43 LEU H H 7.077 0.005 1 206 78 43 LEU HA H 4.540 0.009 1 207 78 43 LEU HB2 H 1.487 0.006 1 208 78 43 LEU HB3 H 1.488 0.008 1 209 78 43 LEU HD2 H 0.976 0.023 1 210 78 43 LEU C C 177.855 0.009 1 211 78 43 LEU CA C 54.020 0.061 1 212 78 43 LEU CB C 46.643 0.026 1 213 78 43 LEU CD2 C 23.736 0.000 1 214 78 43 LEU N N 114.526 0.042 1 215 79 44 ASP H H 8.783 0.009 1 216 79 44 ASP HA H 4.452 0.014 1 217 79 44 ASP HB2 H 2.548 0.011 1 218 79 44 ASP HB3 H 2.546 0.010 1 219 79 44 ASP C C 177.872 0.000 1 220 79 44 ASP CA C 57.458 0.039 1 221 79 44 ASP CB C 40.739 0.023 1 222 79 44 ASP N N 123.675 0.038 1 223 80 45 GLU H H 9.146 0.015 1 224 80 45 GLU HA H 4.156 0.005 1 225 80 45 GLU HB2 H 2.067 0.021 1 226 80 45 GLU HB3 H 1.982 0.023 1 227 80 45 GLU HG2 H 2.155 0.017 1 228 80 45 GLU HG3 H 2.153 0.023 1 229 80 45 GLU C C 175.108 0.025 1 230 80 45 GLU CA C 56.661 0.076 1 231 80 45 GLU CB C 28.604 0.064 1 232 80 45 GLU CG C 36.054 0.017 1 233 80 45 GLU N N 115.578 0.050 1 234 81 46 CYS H H 7.146 0.005 1 235 81 46 CYS HA H 4.814 0.008 1 236 81 46 CYS HB2 H 3.145 0.011 1 237 81 46 CYS HB3 H 2.885 0.014 1 238 81 46 CYS C C 175.453 0.000 1 239 81 46 CYS CA C 56.298 0.066 1 240 81 46 CYS CB C 30.378 0.060 1 241 81 46 CYS N N 125.642 0.025 1 242 82 47 PRO HA H 4.311 0.009 1 243 82 47 PRO HB2 H 2.261 0.004 1 244 82 47 PRO HG2 H 2.013 0.005 1 245 82 47 PRO HG3 H 1.719 0.026 1 246 82 47 PRO CA C 64.536 0.028 1 247 82 47 PRO CB C 32.069 0.035 1 248 82 47 PRO CG C 27.000 0.027 1 249 83 48 HIS H H 8.936 0.006 1 250 83 48 HIS HA H 4.511 0.004 1 251 83 48 HIS HB2 H 3.359 0.022 1 252 83 48 HIS HB3 H 3.300 0.023 1 253 83 48 HIS C C 178.820 0.002 1 254 83 48 HIS CA C 59.042 0.079 1 255 83 48 HIS CB C 28.921 0.030 1 256 83 48 HIS N N 124.416 0.049 1 257 84 49 SER H H 11.408 0.012 1 258 84 49 SER HA H 4.152 0.012 1 259 84 49 SER HB2 H 4.839 0.019 1 260 84 49 SER HB3 H 4.839 0.019 1 261 84 49 SER C C 175.397 0.000 1 262 84 49 SER CA C 63.873 0.028 1 263 84 49 SER CB C 65.516 0.000 1 264 84 49 SER N N 129.973 0.043 1 265 85 50 GLN H H 8.192 0.007 1 266 85 50 GLN HA H 3.701 0.005 1 267 85 50 GLN HB2 H 2.025 0.012 1 268 85 50 GLN HB3 H 1.901 0.006 1 269 85 50 GLN HG2 H 2.593 0.019 1 270 85 50 GLN HG3 H 2.467 0.023 1 271 85 50 GLN C C 178.213 0.000 1 272 85 50 GLN CA C 58.201 0.041 1 273 85 50 GLN CB C 27.294 0.023 1 274 85 50 GLN CG C 32.981 0.034 1 275 85 50 GLN N N 118.214 0.034 1 276 86 51 ALA H H 7.748 0.009 1 277 86 51 ALA HA H 4.099 0.008 1 278 86 51 ALA HB H 1.511 0.005 1 279 86 51 ALA C C 180.512 0.023 1 280 86 51 ALA CA C 54.742 0.022 1 281 86 51 ALA CB C 18.559 0.040 1 282 86 51 ALA N N 121.790 0.052 1 283 87 52 LEU H H 7.918 0.012 1 284 87 52 LEU HA H 4.076 0.010 1 285 87 52 LEU HB2 H 2.050 0.014 1 286 87 52 LEU HB3 H 2.050 0.014 1 287 87 52 LEU HD1 H 0.791 0.002 1 288 87 52 LEU HD2 H 1.127 0.007 1 289 87 52 LEU CA C 57.266 0.042 1 290 87 52 LEU CB C 41.947 0.025 1 291 87 52 LEU CD1 C 21.979 0.015 1 292 87 52 LEU CD2 C 26.110 0.027 1 293 87 52 LEU N N 118.528 0.031 1 294 88 53 LYS H H 7.932 0.009 1 295 88 53 LYS N N 120.398 0.000 1 296 89 54 LYS H H 6.889 0.008 1 297 89 54 LYS HA H 3.790 0.018 1 298 89 54 LYS C C 178.614 0.000 1 299 89 54 LYS CA C 59.308 0.029 1 300 89 54 LYS CB C 32.530 0.000 1 301 89 54 LYS N N 115.219 0.075 1 302 90 55 VAL H H 6.748 0.015 1 303 90 55 VAL HA H 4.049 0.012 1 304 90 55 VAL HB H 2.230 0.016 1 305 90 55 VAL HG1 H 1.082 0.006 1 306 90 55 VAL HG2 H 1.229 0.008 1 307 90 55 VAL C C 178.054 0.000 1 308 90 55 VAL CA C 64.467 0.010 1 309 90 55 VAL CB C 31.625 0.010 1 310 90 55 VAL CG1 C 22.144 0.015 1 311 90 55 VAL CG2 C 21.364 0.017 1 312 90 55 VAL N N 110.991 0.024 1 313 91 56 PHE H H 8.722 0.010 1 314 91 56 PHE HA H 3.829 0.013 1 315 91 56 PHE HB2 H 3.442 0.013 1 316 91 56 PHE HB3 H 2.871 0.007 1 317 91 56 PHE C C 177.496 0.000 1 318 91 56 PHE CA C 61.854 0.013 1 319 91 56 PHE CB C 41.828 0.118 1 320 91 56 PHE N N 124.010 0.037 1 321 92 57 ALA H H 8.695 0.009 1 322 92 57 ALA HA H 4.185 0.009 1 323 92 57 ALA HB H 1.389 0.005 1 324 92 57 ALA C C 180.660 0.000 1 325 92 57 ALA CA C 54.288 0.030 1 326 92 57 ALA CB C 18.487 0.041 1 327 92 57 ALA N N 118.444 0.093 1 328 93 58 GLU H H 7.108 0.013 1 329 93 58 GLU HA H 4.156 0.014 1 330 93 58 GLU HB2 H 2.095 0.009 1 331 93 58 GLU HB3 H 1.916 0.004 1 332 93 58 GLU HG2 H 2.445 0.004 1 333 93 58 GLU HG3 H 2.232 0.015 1 334 93 58 GLU C C 175.641 0.014 1 335 93 58 GLU CA C 55.883 0.031 1 336 93 58 GLU CB C 30.495 0.052 1 337 93 58 GLU CG C 36.337 0.019 1 338 93 58 GLU N N 112.263 0.075 1 339 94 59 ASN H H 7.269 0.010 1 340 94 59 ASN HA H 4.590 0.010 1 341 94 59 ASN HB2 H 2.845 0.023 1 342 94 59 ASN HB3 H 2.858 0.012 1 343 94 59 ASN C C 174.151 0.010 1 344 94 59 ASN CA C 54.056 0.049 1 345 94 59 ASN CB C 38.723 0.024 1 346 94 59 ASN N N 120.422 0.043 1 347 95 60 LYS H H 8.672 0.006 1 348 95 60 LYS HA H 3.770 0.009 1 349 95 60 LYS HB2 H 1.748 0.010 1 350 95 60 LYS HB3 H 1.747 0.011 1 351 95 60 LYS HG2 H 1.528 0.013 1 352 95 60 LYS HG3 H 1.396 0.009 1 353 95 60 LYS HE2 H 2.967 0.004 1 354 95 60 LYS HE3 H 2.962 0.006 1 355 95 60 LYS C C 178.959 0.004 1 356 95 60 LYS CA C 59.337 0.031 1 357 95 60 LYS CB C 32.170 0.037 1 358 95 60 LYS CG C 25.121 0.038 1 359 95 60 LYS CE C 42.077 0.000 1 360 95 60 LYS N N 127.497 0.035 1 361 96 61 GLU H H 7.988 0.010 1 362 96 61 GLU HA H 3.984 0.003 1 363 96 61 GLU HB2 H 2.173 0.017 1 364 96 61 GLU HB3 H 1.958 0.007 1 365 96 61 GLU HG2 H 2.216 0.016 1 366 96 61 GLU HG3 H 2.232 0.013 1 367 96 61 GLU C C 179.574 0.000 1 368 96 61 GLU CA C 59.955 0.038 1 369 96 61 GLU CB C 29.246 0.020 1 370 96 61 GLU CG C 37.141 0.020 1 371 96 61 GLU N N 119.409 0.034 1 372 97 62 ILE H H 8.484 0.007 1 373 97 62 ILE HA H 3.224 0.003 1 374 97 62 ILE HB H 1.581 0.020 1 375 97 62 ILE HG12 H 1.451 0.011 1 376 97 62 ILE HG13 H 0.721 0.008 1 377 97 62 ILE HG2 H -0.189 0.004 1 378 97 62 ILE HD1 H 0.694 0.013 1 379 97 62 ILE C C 177.158 0.000 1 380 97 62 ILE CA C 65.787 0.030 1 381 97 62 ILE CB C 37.710 0.025 1 382 97 62 ILE CG1 C 30.503 0.020 1 383 97 62 ILE CG2 C 15.918 0.009 1 384 97 62 ILE CD1 C 13.284 0.008 1 385 97 62 ILE N N 122.621 0.045 1 386 98 63 GLN H H 8.046 0.012 1 387 98 63 GLN HA H 3.481 0.005 1 388 98 63 GLN HB2 H 2.053 0.006 1 389 98 63 GLN HB3 H 1.794 0.006 1 390 98 63 GLN HG2 H 2.071 0.019 1 391 98 63 GLN HG3 H 2.071 0.019 1 392 98 63 GLN C C 178.097 0.003 1 393 98 63 GLN CA C 58.601 0.013 1 394 98 63 GLN CB C 28.834 0.050 1 395 98 63 GLN CG C 34.569 0.005 1 396 98 63 GLN N N 115.619 0.037 1 397 99 64 LYS H H 7.578 0.012 1 398 99 64 LYS HA H 4.125 0.011 1 399 99 64 LYS HB2 H 1.817 0.013 1 400 99 64 LYS HB3 H 1.817 0.014 1 401 99 64 LYS C C 179.740 0.001 1 402 99 64 LYS CA C 57.955 0.083 1 403 99 64 LYS CB C 32.054 0.053 1 404 99 64 LYS N N 116.464 0.038 1 405 100 65 LEU H H 7.916 0.006 1 406 100 65 LEU HA H 4.128 0.006 1 407 100 65 LEU HB2 H 2.045 0.011 1 408 100 65 LEU HB3 H 1.513 0.009 1 409 100 65 LEU HD1 H 0.906 0.006 1 410 100 65 LEU HD2 H 0.905 0.007 1 411 100 65 LEU C C 178.481 0.029 1 412 100 65 LEU CA C 57.044 0.035 1 413 100 65 LEU CB C 41.883 0.063 1 414 100 65 LEU CD1 C 23.822 0.011 1 415 100 65 LEU CD2 C 28.002 0.026 1 416 100 65 LEU N N 122.576 0.037 1 417 101 66 ALA H H 8.511 0.005 1 418 101 66 ALA HA H 3.810 0.014 1 419 101 66 ALA HB H 1.305 0.009 1 420 101 66 ALA C C 177.520 0.000 1 421 101 66 ALA CA C 54.772 0.025 1 422 101 66 ALA CB C 17.737 0.020 1 423 101 66 ALA N N 119.534 0.037 1 424 102 67 GLU H H 7.039 0.017 1 425 102 67 GLU HA H 4.113 0.006 1 426 102 67 GLU HB2 H 2.079 0.024 1 427 102 67 GLU HB3 H 2.079 0.024 1 428 102 67 GLU HG2 H 2.557 0.004 1 429 102 67 GLU HG3 H 2.298 0.003 1 430 102 67 GLU C C 178.295 0.012 1 431 102 67 GLU CA C 58.285 0.052 1 432 102 67 GLU CB C 29.952 0.051 1 433 102 67 GLU CG C 36.328 0.027 1 434 102 67 GLU N N 113.081 0.015 1 435 103 68 GLN H H 8.167 0.007 1 436 103 68 GLN HA H 4.107 0.014 1 437 103 68 GLN HB2 H 2.316 0.015 1 438 103 68 GLN HB3 H 1.983 0.016 1 439 103 68 GLN C C 173.173 0.049 1 440 103 68 GLN CA C 56.094 0.041 1 441 103 68 GLN CB C 28.703 0.078 1 442 103 68 GLN N N 116.244 0.037 1 443 104 69 PHE H H 7.633 0.007 1 444 104 69 PHE HA H 4.645 0.007 1 445 104 69 PHE HB2 H 3.077 0.007 1 446 104 69 PHE HB3 H 2.887 0.016 1 447 104 69 PHE C C 177.346 0.003 1 448 104 69 PHE CA C 57.254 0.040 1 449 104 69 PHE CB C 40.897 0.040 1 450 104 69 PHE N N 116.822 0.055 1 451 105 70 VAL H H 8.943 0.008 1 452 105 70 VAL HA H 3.867 0.012 1 453 105 70 VAL HB H 1.684 0.013 1 454 105 70 VAL HG1 H 1.038 0.016 1 455 105 70 VAL HG2 H 0.707 0.006 1 456 105 70 VAL C C 174.191 0.029 1 457 105 70 VAL CA C 63.450 0.018 1 458 105 70 VAL CB C 31.566 0.067 1 459 105 70 VAL CG1 C 22.290 0.017 1 460 105 70 VAL CG2 C 21.439 0.034 1 461 105 70 VAL N N 120.799 0.053 1 462 106 71 LEU H H 8.432 0.008 1 463 106 71 LEU HA H 4.850 0.021 1 464 106 71 LEU HG H 1.093 0.008 1 465 106 71 LEU HD1 H 0.499 0.007 1 466 106 71 LEU HD2 H -0.057 0.004 1 467 106 71 LEU CA C 53.854 0.031 1 468 106 71 LEU CB C 44.478 0.153 1 469 106 71 LEU CG C 25.415 0.023 1 470 106 71 LEU CD1 C 24.049 0.013 1 471 106 71 LEU CD2 C 27.354 0.021 1 472 106 71 LEU N N 129.105 0.048 1 473 107 72 LEU H H 8.298 0.016 1 474 107 72 LEU HD1 H 0.747 0.017 1 475 107 72 LEU CD1 C 26.892 0.017 1 476 107 72 LEU N N 123.682 0.030 1 477 108 73 ASN H H 9.761 0.008 1 478 108 73 ASN CA C 51.631 0.000 1 479 108 73 ASN CB C 41.484 0.000 1 480 108 73 ASN N N 125.520 0.071 1 481 109 74 LEU H H 8.563 0.009 1 482 109 74 LEU HD1 H 0.479 0.004 1 483 109 74 LEU HD2 H 0.249 0.002 1 484 109 74 LEU CD1 C 27.004 0.032 1 485 109 74 LEU CD2 C 26.438 0.040 1 486 109 74 LEU N N 122.070 0.092 1 487 110 75 VAL HA H 5.100 0.028 1 488 110 75 VAL HG1 H 0.637 0.010 1 489 110 75 VAL HG2 H 0.770 0.001 1 490 110 75 VAL CA C 59.157 0.015 1 491 110 75 VAL CG1 C 18.039 0.032 1 492 110 75 VAL CG2 C 18.289 0.044 1 493 111 76 TYR H H 8.255 0.008 1 494 111 76 TYR HA H 4.569 0.005 1 495 111 76 TYR HB2 H 3.057 0.021 1 496 111 76 TYR HB3 H 3.032 0.017 1 497 111 76 TYR C C 175.393 0.000 1 498 111 76 TYR CA C 57.736 0.065 1 499 111 76 TYR CB C 39.426 0.104 1 500 111 76 TYR N N 120.641 0.030 1 501 114 79 THR HA H 4.180 0.003 1 502 114 79 THR HB H 4.566 0.007 1 503 114 79 THR HG2 H 1.186 0.002 1 504 114 79 THR CA C 61.295 0.058 1 505 114 79 THR CB C 68.683 0.003 1 506 114 79 THR CG2 C 21.643 0.050 1 507 115 80 ASP H H 7.746 0.014 1 508 115 80 ASP C C 177.959 0.000 1 509 115 80 ASP CA C 53.276 0.000 1 510 115 80 ASP N N 121.026 0.129 1 511 116 81 LYS H H 8.873 0.006 1 512 116 81 LYS HA H 3.828 0.006 1 513 116 81 LYS HB2 H 1.674 0.017 1 514 116 81 LYS HB3 H 1.576 0.007 1 515 116 81 LYS HG2 H 1.222 0.010 1 516 116 81 LYS HG3 H 1.232 0.009 1 517 116 81 LYS HD2 H 1.500 0.000 1 518 116 81 LYS HD3 H 1.500 0.000 1 519 116 81 LYS C C 179.118 0.000 1 520 116 81 LYS CA C 57.957 0.029 1 521 116 81 LYS CB C 31.273 0.031 1 522 116 81 LYS CG C 24.594 0.041 1 523 116 81 LYS CD C 28.535 0.006 1 524 116 81 LYS N N 129.056 0.042 1 525 117 82 HIS H H 8.707 0.018 1 526 117 82 HIS HA H 4.290 0.004 1 527 117 82 HIS HB2 H 3.285 0.009 1 528 117 82 HIS HB3 H 3.137 0.009 1 529 117 82 HIS C C 175.622 0.006 1 530 117 82 HIS CA C 57.865 0.041 1 531 117 82 HIS CB C 27.704 0.041 1 532 117 82 HIS N N 116.887 0.030 1 533 118 83 LEU H H 7.332 0.012 1 534 118 83 LEU HA H 4.290 0.004 1 535 118 83 LEU HD1 H 0.563 0.017 1 536 118 83 LEU HD2 H 0.573 0.007 1 537 118 83 LEU C C 175.949 0.000 1 538 118 83 LEU CA C 53.982 0.029 1 539 118 83 LEU CB C 41.734 0.000 1 540 118 83 LEU CD1 C 26.198 0.029 1 541 118 83 LEU CD2 C 23.785 0.021 1 542 118 83 LEU N N 113.733 0.036 1 543 119 84 SER H H 7.268 0.016 1 544 119 84 SER HA H 4.632 0.026 1 545 119 84 SER HB2 H 3.490 0.007 1 546 119 84 SER HB3 H 3.130 0.012 1 547 119 84 SER C C 173.830 0.000 1 548 119 84 SER CA C 55.581 0.049 1 549 119 84 SER CB C 62.367 0.028 1 550 119 84 SER N N 111.979 0.040 1 551 120 85 PRO HA H 4.384 0.007 1 552 120 85 PRO HB2 H 2.265 0.003 1 553 120 85 PRO HB3 H 2.034 0.012 1 554 120 85 PRO HG2 H 1.767 0.006 1 555 120 85 PRO HG3 H 1.923 0.009 1 556 120 85 PRO HD2 H 3.344 0.010 1 557 120 85 PRO HD3 H 3.355 0.013 1 558 120 85 PRO C C 177.881 0.000 1 559 120 85 PRO CA C 65.292 0.036 1 560 120 85 PRO CB C 31.942 0.009 1 561 120 85 PRO CG C 28.028 0.020 1 562 120 85 PRO CD C 49.751 0.054 1 563 121 86 ASP H H 8.882 0.006 1 564 121 86 ASP HA H 4.960 0.003 1 565 121 86 ASP HB2 H 3.011 0.004 1 566 121 86 ASP HB3 H 2.545 0.003 1 567 121 86 ASP C C 174.734 0.004 1 568 121 86 ASP CA C 51.999 0.024 1 569 121 86 ASP CB C 40.327 0.053 1 570 121 86 ASP N N 117.614 0.039 1 571 122 87 GLY H H 6.973 0.007 1 572 122 87 GLY HA2 H 4.764 0.010 1 573 122 87 GLY HA3 H 3.698 0.009 1 574 122 87 GLY C C 173.401 0.006 1 575 122 87 GLY CA C 43.814 0.039 1 576 122 87 GLY N N 106.815 0.036 1 577 123 88 GLN H H 8.224 0.008 1 578 123 88 GLN HA H 3.984 0.006 1 579 123 88 GLN C C 174.141 0.004 1 580 123 88 GLN CA C 54.717 0.053 1 581 123 88 GLN CB C 27.267 0.050 1 582 123 88 GLN N N 118.319 0.041 1 583 124 89 TYR H H 5.954 0.009 1 584 124 89 TYR HA H 4.596 0.007 1 585 124 89 TYR C C 173.402 0.005 1 586 124 89 TYR CA C 54.672 0.069 1 587 124 89 TYR CB C 38.970 0.000 1 588 124 89 TYR N N 117.220 0.038 1 589 125 90 VAL H H 8.303 0.010 1 590 125 90 VAL HA H 4.572 0.008 1 591 125 90 VAL HB H 2.040 0.011 1 592 125 90 VAL HG1 H 0.597 0.009 1 593 125 90 VAL HG2 H 0.954 0.006 1 594 125 90 VAL C C 173.254 0.000 1 595 125 90 VAL CA C 57.982 0.018 1 596 125 90 VAL CB C 35.376 0.019 1 597 125 90 VAL CG1 C 22.617 0.061 1 598 125 90 VAL CG2 C 18.160 0.012 1 599 125 90 VAL N N 109.249 0.027 1 600 127 92 ARG HA H 5.178 0.003 1 601 127 92 ARG CA C 55.689 0.012 1 602 128 93 ILE H H 9.099 0.008 1 603 128 93 ILE HA H 5.088 0.017 1 604 128 93 ILE HB H 1.798 0.022 1 605 128 93 ILE HG12 H 0.673 0.019 1 606 128 93 ILE HG13 H 0.673 0.019 1 607 128 93 ILE HG2 H 0.106 0.004 1 608 128 93 ILE HD1 H 0.467 0.005 1 609 128 93 ILE CA C 61.063 0.050 1 610 128 93 ILE CB C 39.101 0.033 1 611 128 93 ILE CG1 C 27.820 0.024 1 612 128 93 ILE CG2 C 16.735 0.016 1 613 128 93 ILE CD1 C 13.161 0.021 1 614 128 93 ILE N N 127.696 0.192 1 615 129 94 MET H H 8.496 0.010 1 616 129 94 MET C C 174.006 0.000 1 617 129 94 MET CA C 51.503 0.054 1 618 129 94 MET CB C 34.764 0.000 1 619 129 94 MET N N 122.683 0.041 1 620 130 95 PHE H H 8.573 0.010 1 621 130 95 PHE HA H 5.589 0.006 1 622 130 95 PHE HB2 H 2.896 0.011 1 623 130 95 PHE HB3 H 2.896 0.011 1 624 130 95 PHE C C 174.811 0.050 1 625 130 95 PHE CA C 56.432 0.046 1 626 130 95 PHE CB C 41.941 0.048 1 627 130 95 PHE N N 118.014 0.054 1 628 131 96 VAL H H 9.855 0.008 1 629 131 96 VAL HA H 4.337 0.010 1 630 131 96 VAL HB H 1.984 0.018 1 631 131 96 VAL HG1 H 0.821 0.008 1 632 131 96 VAL HG2 H 0.835 0.015 1 633 131 96 VAL C C 174.303 0.036 1 634 131 96 VAL CA C 61.405 0.029 1 635 131 96 VAL CB C 34.679 0.041 1 636 131 96 VAL CG1 C 20.184 0.008 1 637 131 96 VAL CG2 C 21.965 0.028 1 638 131 96 VAL N N 122.847 0.045 1 639 132 97 ASP H H 8.399 0.012 1 640 132 97 ASP HA H 4.883 0.003 1 641 132 97 ASP HB2 H 2.563 0.005 1 642 132 97 ASP HB3 H 2.562 0.005 1 643 132 97 ASP C C 174.958 0.000 1 644 132 97 ASP CA C 53.082 0.044 1 645 132 97 ASP CB C 45.484 0.011 1 646 132 97 ASP N N 128.042 0.041 1 647 133 98 PRO HA H 4.566 0.012 1 648 133 98 PRO C C 175.650 0.000 1 649 133 98 PRO CA C 65.207 0.054 1 650 133 98 PRO CB C 31.858 0.000 1 651 134 99 SER H H 8.154 0.006 1 652 134 99 SER HA H 4.122 0.005 1 653 134 99 SER HB2 H 4.041 0.000 1 654 134 99 SER HB3 H 4.041 0.000 1 655 134 99 SER C C 175.303 0.000 1 656 134 99 SER CA C 60.237 0.037 1 657 134 99 SER CB C 64.471 0.021 1 658 134 99 SER N N 111.171 0.039 1 659 135 100 LEU H H 9.194 0.006 1 660 135 100 LEU HA H 3.683 0.007 1 661 135 100 LEU HB2 H 2.329 0.006 1 662 135 100 LEU HB3 H 1.422 0.012 1 663 135 100 LEU HD1 H 0.812 0.012 1 664 135 100 LEU HD2 H 0.827 0.013 1 665 135 100 LEU C C 175.886 0.005 1 666 135 100 LEU CA C 56.548 0.030 1 667 135 100 LEU CB C 36.922 0.022 1 668 135 100 LEU CD1 C 22.638 0.025 1 669 135 100 LEU CD2 C 25.745 0.055 1 670 135 100 LEU N N 118.112 0.042 1 671 136 101 THR H H 7.022 0.006 1 672 136 101 THR HA H 4.191 0.003 1 673 136 101 THR HB H 3.618 0.008 1 674 136 101 THR HG2 H 1.064 0.003 1 675 136 101 THR C C 173.771 0.008 1 676 136 101 THR CA C 62.123 0.035 1 677 136 101 THR CB C 70.407 0.047 1 678 136 101 THR CG2 C 21.207 0.022 1 679 136 101 THR N N 116.048 0.040 1 680 137 102 VAL H H 9.039 0.006 1 681 137 102 VAL HA H 3.874 0.013 1 682 137 102 VAL HB H 1.978 0.006 1 683 137 102 VAL HG1 H 0.798 0.019 1 684 137 102 VAL HG2 H 0.897 0.010 1 685 137 102 VAL C C 177.079 0.007 1 686 137 102 VAL CA C 64.163 0.028 1 687 137 102 VAL CB C 31.858 0.043 1 688 137 102 VAL CG1 C 20.218 0.023 1 689 137 102 VAL CG2 C 22.562 0.011 1 690 137 102 VAL N N 129.098 0.041 1 691 138 103 ARG H H 9.355 0.006 1 692 138 103 ARG HA H 4.724 0.019 1 693 138 103 ARG C C 177.315 0.008 1 694 138 103 ARG CA C 50.845 0.038 1 695 138 103 ARG CB C 25.210 0.000 1 696 138 103 ARG N N 128.421 0.042 1 697 139 104 ALA H H 8.340 0.009 1 698 139 104 ALA HA H 4.128 0.001 1 699 139 104 ALA HB H 1.489 0.010 1 700 139 104 ALA C C 170.819 0.000 1 701 139 104 ALA CA C 53.517 0.025 1 702 139 104 ALA CB C 18.047 0.026 1 703 139 104 ALA N N 130.638 0.049 1 704 140 105 ASP H H 9.653 0.005 1 705 140 105 ASP HA H 4.356 0.007 1 706 140 105 ASP HB2 H 2.708 0.020 1 707 140 105 ASP HB3 H 2.681 0.016 1 708 140 105 ASP C C 175.173 0.000 1 709 140 105 ASP CA C 54.097 0.068 1 710 140 105 ASP CB C 39.219 0.025 1 711 140 105 ASP N N 113.599 0.046 1 712 141 106 ILE H H 7.541 0.004 1 713 141 106 ILE HA H 4.332 0.016 1 714 141 106 ILE HB H 2.157 0.007 1 715 141 106 ILE HG2 H 0.708 0.008 1 716 141 106 ILE HD1 H 0.489 0.005 1 717 141 106 ILE C C 174.778 0.002 1 718 141 106 ILE CA C 62.464 0.043 1 719 141 106 ILE CB C 36.210 0.019 1 720 141 106 ILE CG2 C 19.132 0.011 1 721 141 106 ILE CD1 C 12.708 0.016 1 722 141 106 ILE N N 122.867 0.036 1 723 142 107 THR H H 7.816 0.006 1 724 142 107 THR HA H 4.721 0.018 1 725 142 107 THR HB H 4.418 0.006 1 726 142 107 THR HG2 H 0.903 0.004 1 727 142 107 THR C C 175.898 0.013 1 728 142 107 THR CA C 59.199 0.013 1 729 142 107 THR CB C 71.817 0.042 1 730 142 107 THR CG2 C 21.429 0.008 1 731 142 107 THR N N 117.525 0.037 1 732 143 108 GLY H H 8.891 0.006 1 733 143 108 GLY HA2 H 4.011 0.004 1 734 143 108 GLY HA3 H 3.036 0.009 1 735 143 108 GLY C C 174.389 0.000 1 736 143 108 GLY CA C 44.291 0.011 1 737 143 108 GLY N N 109.853 0.035 1 738 144 109 ARG H H 8.108 0.006 1 739 144 109 ARG HA H 4.006 0.002 1 740 144 109 ARG HB2 H 0.995 0.011 1 741 144 109 ARG HB3 H 1.405 0.005 1 742 144 109 ARG HG2 H 0.923 0.014 1 743 144 109 ARG HG3 H 0.483 0.002 1 744 144 109 ARG HD2 H 2.897 0.008 1 745 144 109 ARG HD3 H 2.861 0.017 1 746 144 109 ARG C C 176.521 0.000 1 747 144 109 ARG CA C 55.989 0.030 1 748 144 109 ARG CB C 30.851 0.037 1 749 144 109 ARG CG C 26.107 0.035 1 750 144 109 ARG CD C 43.374 0.020 1 751 144 109 ARG N N 116.076 0.029 1 752 145 110 TYR H H 8.825 0.005 1 753 145 110 TYR HA H 4.506 0.010 1 754 145 110 TYR HB2 H 2.908 0.011 1 755 145 110 TYR HB3 H 2.908 0.011 1 756 145 110 TYR HD1 H 6.986 0.022 3 757 145 110 TYR HD2 H 6.986 0.022 3 758 145 110 TYR C C 178.395 0.068 1 759 145 110 TYR CA C 57.217 0.040 1 760 145 110 TYR CB C 37.232 0.017 1 761 145 110 TYR N N 123.010 0.038 1 762 146 111 SER H H 8.616 0.004 1 763 146 111 SER HA H 3.948 0.008 1 764 146 111 SER HB2 H 3.793 0.003 1 765 146 111 SER HB3 H 3.793 0.003 1 766 146 111 SER C C 174.939 0.000 1 767 146 111 SER CA C 60.850 0.024 1 768 146 111 SER CB C 62.776 0.021 1 769 146 111 SER N N 120.152 0.060 1 770 147 112 ASN H H 8.374 0.004 1 771 147 112 ASN HA H 4.558 0.015 1 772 147 112 ASN HB2 H 2.826 0.006 1 773 147 112 ASN HB3 H 2.654 0.002 1 774 147 112 ASN HD21 H 7.505 0.004 1 775 147 112 ASN HD22 H 6.725 0.018 1 776 147 112 ASN C C 173.693 0.016 1 777 147 112 ASN CA C 53.209 0.035 1 778 147 112 ASN CB C 37.534 0.035 1 779 147 112 ASN N N 116.146 0.041 1 780 147 112 ASN ND2 N 112.840 0.050 1 781 148 113 ARG H H 6.782 0.012 1 782 148 113 ARG HA H 4.226 0.007 1 783 148 113 ARG HB2 H 0.879 0.004 1 784 148 113 ARG HB3 H 0.682 0.018 1 785 148 113 ARG HG2 H 1.049 0.004 1 786 148 113 ARG HG3 H 0.642 0.011 1 787 148 113 ARG HD2 H 2.324 0.017 1 788 148 113 ARG HD3 H 2.245 0.015 1 789 148 113 ARG C C 176.358 0.022 1 790 148 113 ARG CA C 55.251 0.046 1 791 148 113 ARG CB C 30.973 0.024 1 792 148 113 ARG CG C 26.772 0.023 1 793 148 113 ARG CD C 43.881 0.018 1 794 148 113 ARG N N 121.673 0.043 1 795 149 114 LEU H H 9.976 0.013 1 796 149 114 LEU HA H 3.776 0.004 1 797 149 114 LEU HB2 H 1.058 0.004 1 798 149 114 LEU HB3 H 0.445 0.004 1 799 149 114 LEU HD1 H 0.684 0.013 1 800 149 114 LEU C C 175.787 0.000 1 801 149 114 LEU CA C 57.640 0.041 1 802 149 114 LEU CB C 43.153 0.034 1 803 149 114 LEU CD1 C 23.156 0.029 1 804 149 114 LEU N N 125.966 0.039 1 805 150 115 TYR H H 8.272 0.012 1 806 150 115 TYR HA H 4.947 0.006 1 807 150 115 TYR HB2 H 3.867 0.016 1 808 150 115 TYR HB3 H 2.505 0.006 1 809 150 115 TYR C C 174.449 0.017 1 810 150 115 TYR CA C 55.986 0.020 1 811 150 115 TYR CB C 38.660 0.039 1 812 150 115 TYR N N 115.137 0.036 1 813 151 116 ALA H H 7.515 0.006 1 814 151 116 ALA HA H 5.086 0.015 1 815 151 116 ALA HB H 1.416 0.002 1 816 151 116 ALA C C 177.541 0.001 1 817 151 116 ALA CA C 51.614 0.027 1 818 151 116 ALA CB C 21.262 0.015 1 819 151 116 ALA N N 121.349 0.045 1 820 152 117 TYR H H 6.916 0.005 1 821 152 117 TYR HA H 4.693 0.001 1 822 152 117 TYR HB2 H 2.953 0.017 1 823 152 117 TYR HB3 H 2.588 0.027 1 824 152 117 TYR HD1 H 7.128 0.006 3 825 152 117 TYR HD2 H 7.128 0.006 3 826 152 117 TYR C C 173.749 0.000 1 827 152 117 TYR CA C 58.142 0.045 1 828 152 117 TYR CB C 42.827 0.015 1 829 152 117 TYR CD1 C 133.379 0.000 3 830 152 117 TYR CD2 C 133.379 0.000 3 831 152 117 TYR N N 115.287 0.037 1 832 153 118 GLU H H 9.508 0.011 1 833 153 118 GLU HA H 4.951 0.004 1 834 153 118 GLU HB2 H 2.443 0.006 1 835 153 118 GLU HB3 H 1.763 0.002 1 836 153 118 GLU HG2 H 2.303 0.011 1 837 153 118 GLU HG3 H 2.196 0.005 1 838 153 118 GLU C C 175.895 0.000 1 839 153 118 GLU CA C 54.029 0.022 1 840 153 118 GLU CB C 29.513 0.059 1 841 153 118 GLU CG C 36.021 0.022 1 842 153 118 GLU N N 122.624 0.037 1 843 154 119 PRO HA H 4.119 0.021 1 844 154 119 PRO HB2 H 2.270 0.012 1 845 154 119 PRO HB3 H 2.026 0.004 1 846 154 119 PRO C C 176.457 0.006 1 847 154 119 PRO CA C 66.240 0.027 1 848 154 119 PRO CB C 31.682 0.037 1 849 155 120 ALA H H 7.697 0.007 1 850 155 120 ALA HA H 4.372 0.002 1 851 155 120 ALA HB H 1.431 0.003 1 852 155 120 ALA C C 178.528 0.004 1 853 155 120 ALA CA C 53.148 0.016 1 854 155 120 ALA CB C 18.782 0.022 1 855 155 120 ALA N N 114.721 0.029 1 856 156 121 ASP H H 8.493 0.007 1 857 156 121 ASP HA H 5.154 0.007 1 858 156 121 ASP HB2 H 3.515 0.006 1 859 156 121 ASP HB3 H 3.379 0.019 1 860 156 121 ASP C C 176.756 0.013 1 861 156 121 ASP CA C 54.742 0.037 1 862 156 121 ASP CB C 42.326 0.068 1 863 156 121 ASP N N 117.502 0.050 1 864 157 122 THR H H 7.428 0.008 1 865 157 122 THR HA H 3.738 0.006 1 866 157 122 THR HB H 4.108 0.011 1 867 157 122 THR HG2 H 1.285 0.003 1 868 157 122 THR C C 176.023 0.002 1 869 157 122 THR CA C 66.673 0.036 1 870 157 122 THR CB C 67.967 0.026 1 871 157 122 THR CG2 C 22.750 0.037 1 872 157 122 THR N N 111.372 0.028 1 873 158 123 ALA H H 8.663 0.009 1 874 158 123 ALA HA H 4.133 0.005 1 875 158 123 ALA HB H 1.413 0.009 1 876 158 123 ALA C C 179.987 0.003 1 877 158 123 ALA CA C 55.545 0.045 1 878 158 123 ALA CB C 17.458 0.039 1 879 158 123 ALA N N 123.853 0.037 1 880 159 124 LEU H H 7.444 0.004 1 881 159 124 LEU HA H 4.229 0.009 1 882 159 124 LEU HB2 H 1.940 0.017 1 883 159 124 LEU HB3 H 1.663 0.010 1 884 159 124 LEU HD1 H 0.914 0.015 1 885 159 124 LEU HD2 H 0.961 0.013 1 886 159 124 LEU C C 178.342 0.002 1 887 159 124 LEU CA C 57.329 0.034 1 888 159 124 LEU CB C 41.956 0.043 1 889 159 124 LEU CD1 C 26.580 0.030 1 890 159 124 LEU CD2 C 23.698 0.009 1 891 159 124 LEU N N 121.199 0.035 1 892 160 125 LEU H H 8.430 0.011 1 893 160 125 LEU HA H 3.963 0.012 1 894 160 125 LEU HB2 H 1.861 0.008 1 895 160 125 LEU HB3 H 1.273 0.003 1 896 160 125 LEU HD1 H 0.453 0.005 1 897 160 125 LEU C C 178.168 0.016 1 898 160 125 LEU CA C 58.475 0.025 1 899 160 125 LEU CB C 40.915 0.025 1 900 160 125 LEU CD1 C 21.786 0.014 1 901 160 125 LEU N N 119.836 0.036 1 902 161 126 LEU H H 8.127 0.007 1 903 161 126 LEU HA H 4.000 0.004 1 904 161 126 LEU HB2 H 1.668 0.015 1 905 161 126 LEU HB3 H 1.641 0.022 1 906 161 126 LEU HD1 H 0.784 0.009 1 907 161 126 LEU HD2 H 0.791 0.008 1 908 161 126 LEU C C 178.848 0.008 1 909 161 126 LEU CA C 58.524 0.027 1 910 161 126 LEU CB C 42.005 0.035 1 911 161 126 LEU CD1 C 24.848 0.025 1 912 161 126 LEU CD2 C 25.392 0.040 1 913 161 126 LEU N N 120.046 0.036 1 914 162 127 ASP H H 7.872 0.013 1 915 162 127 ASP HA H 4.267 0.008 1 916 162 127 ASP HB2 H 2.787 0.011 1 917 162 127 ASP HB3 H 2.581 0.003 1 918 162 127 ASP C C 179.299 0.000 1 919 162 127 ASP CA C 57.699 0.059 1 920 162 127 ASP CB C 40.564 0.016 1 921 162 127 ASP N N 119.057 0.029 1 922 163 128 ASN H H 8.711 0.009 1 923 163 128 ASN HA H 4.423 0.003 1 924 163 128 ASN HB2 H 3.097 0.016 1 925 163 128 ASN HB3 H 2.340 0.011 1 926 163 128 ASN HD21 H 7.939 0.014 1 927 163 128 ASN HD22 H 6.945 0.011 1 928 163 128 ASN C C 177.256 0.000 1 929 163 128 ASN CA C 54.502 0.022 1 930 163 128 ASN CB C 36.821 0.036 1 931 163 128 ASN N N 122.268 0.063 1 932 163 128 ASN ND2 N 111.370 0.034 1 933 164 129 MET H H 8.704 0.005 1 934 164 129 MET HA H 3.583 0.003 1 935 164 129 MET HB2 H 2.425 0.013 1 936 164 129 MET HB3 H 2.338 0.011 1 937 164 129 MET C C 178.272 0.011 1 938 164 129 MET CA C 59.617 0.028 1 939 164 129 MET CB C 34.481 0.066 1 940 164 129 MET N N 122.448 0.071 1 941 165 130 LYS H H 7.767 0.009 1 942 165 130 LYS HA H 3.869 0.010 1 943 165 130 LYS C C 180.050 0.000 1 944 165 130 LYS CA C 60.517 0.056 1 945 165 130 LYS CB C 31.836 0.078 1 946 165 130 LYS N N 117.243 0.028 1 947 166 131 LYS H H 7.914 0.008 1 948 166 131 LYS HA H 3.853 0.008 1 949 166 131 LYS HB2 H 1.741 0.018 1 950 166 131 LYS HB3 H 1.698 0.017 1 951 166 131 LYS HG2 H 1.599 0.007 1 952 166 131 LYS HG3 H 1.178 0.008 1 953 166 131 LYS C C 179.232 0.004 1 954 166 131 LYS CA C 60.171 0.039 1 955 166 131 LYS CB C 32.783 0.070 1 956 166 131 LYS CG C 25.788 0.042 1 957 166 131 LYS N N 120.486 0.041 1 958 167 132 ALA H H 7.801 0.005 1 959 167 132 ALA HA H 3.625 0.006 1 960 167 132 ALA HB H 1.124 0.008 1 961 167 132 ALA C C 177.616 0.002 1 962 167 132 ALA CA C 54.246 0.026 1 963 167 132 ALA CB C 18.261 0.044 1 964 167 132 ALA N N 122.426 0.035 1 965 168 133 LEU H H 7.010 0.007 1 966 168 133 LEU HA H 3.747 0.007 1 967 168 133 LEU HB2 H 1.704 0.015 1 968 168 133 LEU HB3 H 1.391 0.016 1 969 168 133 LEU HD1 H 0.266 0.003 1 970 168 133 LEU HD2 H 0.739 0.009 1 971 168 133 LEU C C 177.322 0.009 1 972 168 133 LEU CA C 55.892 0.027 1 973 168 133 LEU CB C 42.159 0.018 1 974 168 133 LEU CD1 C 23.075 0.011 1 975 168 133 LEU CD2 C 26.100 0.035 1 976 168 133 LEU N N 113.735 0.040 1 977 169 134 LYS H H 7.202 0.010 1 978 169 134 LYS HA H 4.331 0.008 1 979 169 134 LYS HB2 H 1.817 0.008 1 980 169 134 LYS HB3 H 1.815 0.007 1 981 169 134 LYS HG2 H 1.428 0.006 1 982 169 134 LYS HG3 H 1.304 0.013 1 983 169 134 LYS HD2 H 1.612 0.000 1 984 169 134 LYS HD3 H 1.612 0.000 1 985 169 134 LYS HE2 H 2.900 0.006 1 986 169 134 LYS HE3 H 2.900 0.006 1 987 169 134 LYS C C 174.307 0.004 1 988 169 134 LYS CA C 55.382 0.066 1 989 169 134 LYS CB C 29.718 0.038 1 990 169 134 LYS CG C 24.359 0.023 1 991 169 134 LYS CD C 28.997 0.000 1 992 169 134 LYS CE C 41.959 0.000 1 993 169 134 LYS N N 123.034 0.045 1 994 170 135 LEU H H 7.334 0.005 1 995 170 135 LEU HA H 3.980 0.001 1 996 170 135 LEU C C 178.427 0.000 1 997 170 135 LEU CA C 54.884 0.094 1 998 170 135 LEU CB C 40.903 0.080 1 999 170 135 LEU N N 120.490 0.025 1 1000 171 136 LEU H H 8.614 0.004 1 1001 171 136 LEU HA H 4.040 0.001 1 1002 171 136 LEU HB2 H 1.581 0.010 1 1003 171 136 LEU HB3 H 1.301 0.010 1 1004 171 136 LEU HD2 H 0.761 0.006 1 1005 171 136 LEU C C 178.231 0.000 1 1006 171 136 LEU CA C 55.750 0.012 1 1007 171 136 LEU CB C 41.734 0.063 1 1008 171 136 LEU CD2 C 21.493 0.014 1 1009 171 136 LEU N N 120.084 0.035 1 1010 172 137 LYS H H 8.468 0.003 1 1011 172 137 LYS HA H 4.333 0.004 1 1012 172 137 LYS HB2 H 1.728 0.010 1 1013 172 137 LYS HB3 H 1.728 0.010 1 1014 172 137 LYS HG2 H 1.336 0.008 1 1015 172 137 LYS HG3 H 1.341 0.002 1 1016 172 137 LYS HD2 H 1.609 0.004 1 1017 172 137 LYS HD3 H 1.609 0.004 1 1018 172 137 LYS HE2 H 2.911 0.000 1 1019 172 137 LYS HE3 H 2.911 0.000 1 1020 172 137 LYS C C 174.388 0.000 1 1021 172 137 LYS CA C 55.903 0.025 1 1022 172 137 LYS CB C 32.681 0.026 1 1023 172 137 LYS CG C 24.600 0.000 1 1024 172 137 LYS CD C 29.031 0.090 1 1025 172 137 LYS CE C 42.000 0.000 1 1026 172 137 LYS N N 121.059 0.038 1 1027 173 138 THR H H 8.095 0.005 1 1028 173 138 THR HA H 4.261 0.004 1 1029 173 138 THR HB H 4.129 0.003 1 1030 173 138 THR HG2 H 1.108 0.005 1 1031 173 138 THR C C 174.267 0.003 1 1032 173 138 THR CA C 61.867 0.049 1 1033 173 138 THR CB C 69.848 0.042 1 1034 173 138 THR CG2 C 21.564 0.029 1 1035 173 138 THR N N 116.267 0.076 1 1036 174 139 GLU H H 8.293 0.004 1 1037 174 139 GLU HA H 4.288 0.007 1 1038 174 139 GLU HB2 H 2.015 0.011 1 1039 174 139 GLU HB3 H 1.829 0.002 1 1040 174 139 GLU HG2 H 2.196 0.014 1 1041 174 139 GLU HG3 H 2.177 0.020 1 1042 174 139 GLU C C 175.178 0.002 1 1043 174 139 GLU CA C 56.205 0.025 1 1044 174 139 GLU CB C 30.353 0.047 1 1045 174 139 GLU CG C 36.046 0.001 1 1046 174 139 GLU N N 123.648 0.036 1 1047 175 140 LEU H H 7.858 0.002 1 1048 175 140 LEU C C 182.406 0.000 1 1049 175 140 LEU CA C 56.646 0.007 1 1050 175 140 LEU CB C 43.281 0.000 1 1051 175 140 LEU N N 128.974 0.030 1 stop_ save_