data_27265 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain assignments of human Cyclophilin A ; _BMRB_accession_number 27265 _BMRB_flat_file_name bmr27265.str _Entry_type original _Submission_date 2017-09-26 _Accession_date 2017-09-26 _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 Aggarwal Priyanka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 887 "13C chemical shifts" 677 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-10-25 original BMRB . stop_ _Original_release_date 2017-09-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N chemical shift assignments for human Cyclophilin A ; _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aggarwal Priyanka . . 2 Bhavesh 'Neel Sarovar' . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human Cyclophilin A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Cyclophilin A' $cyclophilinA stop_ _System_molecular_weight 18.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cyclophilinA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cyclophilinA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 VAL 3 3 ASN 4 4 PRO 5 5 THR 6 6 VAL 7 7 PHE 8 8 PHE 9 9 ASP 10 10 ILE 11 11 ALA 12 12 VAL 13 13 ASP 14 14 GLY 15 15 GLU 16 16 PRO 17 17 LEU 18 18 GLY 19 19 ARG 20 20 VAL 21 21 SER 22 22 PHE 23 23 GLU 24 24 LEU 25 25 PHE 26 26 ALA 27 27 ASP 28 28 LYS 29 29 VAL 30 30 PRO 31 31 LYS 32 32 THR 33 33 ALA 34 34 GLU 35 35 ASN 36 36 PHE 37 37 ARG 38 38 ALA 39 39 LEU 40 40 SER 41 41 THR 42 42 GLY 43 43 GLU 44 44 LYS 45 45 GLY 46 46 PHE 47 47 GLY 48 48 TYR 49 49 LYS 50 50 GLY 51 51 SER 52 52 CYS 53 53 PHE 54 54 HIS 55 55 ARG 56 56 ILE 57 57 ILE 58 58 PRO 59 59 GLY 60 60 PHE 61 61 MET 62 62 CYS 63 63 GLN 64 64 GLY 65 65 GLY 66 66 ASP 67 67 PHE 68 68 THR 69 69 ARG 70 70 HIS 71 71 ASN 72 72 GLY 73 73 THR 74 74 GLY 75 75 GLY 76 76 LYS 77 77 SER 78 78 ILE 79 79 TYR 80 80 GLY 81 81 GLU 82 82 LYS 83 83 PHE 84 84 GLU 85 85 ASP 86 86 GLU 87 87 ASN 88 88 PHE 89 89 ILE 90 90 LEU 91 91 LYS 92 92 HIS 93 93 THR 94 94 GLY 95 95 PRO 96 96 GLY 97 97 ILE 98 98 LEU 99 99 SER 100 100 MET 101 101 ALA 102 102 ASN 103 103 ALA 104 104 GLY 105 105 PRO 106 106 ASN 107 107 THR 108 108 ASN 109 109 GLY 110 110 SER 111 111 GLN 112 112 PHE 113 113 PHE 114 114 ILE 115 115 CYS 116 116 THR 117 117 ALA 118 118 LYS 119 119 THR 120 120 GLU 121 121 TRP 122 122 LEU 123 123 ASP 124 124 GLY 125 125 LYS 126 126 HIS 127 127 VAL 128 128 VAL 129 129 PHE 130 130 GLY 131 131 LYS 132 132 VAL 133 133 LYS 134 134 GLU 135 135 GLY 136 136 MET 137 137 ASN 138 138 ILE 139 139 VAL 140 140 GLU 141 141 ALA 142 142 MET 143 143 GLU 144 144 ARG 145 145 PHE 146 146 GLY 147 147 SER 148 148 ARG 149 149 ASN 150 150 GLY 151 151 LYS 152 152 THR 153 153 SER 154 154 LYS 155 155 LYS 156 156 ILE 157 157 THR 158 158 ILE 159 159 ALA 160 160 ASP 161 161 CYS 162 162 GLY 163 163 GLN 164 164 LEU 165 165 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cyclophilinA 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 _Variant _Vector_name $cyclophilinA 'recombinant technology' . Escherichia coli BL21 'codon plus' pETM11 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 $cyclophilinA 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate buffer' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . https://www.bruker.com/freetopspin stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate buffer and 50 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D H(CCO)NH' '3D C(CO)NH' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' 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 'human Cyclophilin A' _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 MET C C 176.113 0.3 1 2 2 2 VAL H H 8.178 0.020 1 3 2 2 VAL HA H 4.126 0.020 1 4 2 2 VAL HB H 2.006 0.020 1 5 2 2 VAL HG1 H 0.964 0.020 2 6 2 2 VAL HG2 H 0.878 0.020 2 7 2 2 VAL C C 176.404 0.3 1 8 2 2 VAL CA C 61.417 0.3 1 9 2 2 VAL CB C 33.763 0.3 1 10 2 2 VAL CG1 C 20.981 0.3 1 11 2 2 VAL CG2 C 20.397 0.3 1 12 2 2 VAL N N 110.854 0.3 1 13 3 3 ASN H H 8.631 0.020 1 14 3 3 ASN HA H 5.187 0.020 1 15 3 3 ASN HB2 H 3.693 0.020 2 16 3 3 ASN HB3 H 3.673 0.020 2 17 3 3 ASN HD21 H 7.009 0.020 1 18 3 3 ASN HD22 H 8.507 0.020 1 19 3 3 ASN CA C 51.123 0.3 1 20 3 3 ASN CB C 37.951 0.3 1 21 3 3 ASN N N 126.360 0.3 1 22 3 3 ASN ND2 N 109.968 0.3 1 23 4 4 PRO HA H 4.818 0.020 1 24 4 4 PRO HB2 H 2.415 0.020 2 25 4 4 PRO HB3 H 1.759 0.020 2 26 4 4 PRO HG2 H 2.230 0.020 2 27 4 4 PRO HG3 H 2.150 0.020 2 28 4 4 PRO HD2 H 4.146 0.020 2 29 4 4 PRO HD3 H 4.109 0.020 2 30 4 4 PRO C C 176.242 0.3 1 31 4 4 PRO CA C 62.832 0.3 1 32 4 4 PRO CB C 33.269 0.3 1 33 4 4 PRO CG C 26.923 0.3 1 34 4 4 PRO CD C 50.782 0.3 1 35 5 5 THR H H 8.798 0.020 1 36 5 5 THR HA H 5.768 0.020 1 37 5 5 THR HB H 4.115 0.020 1 38 5 5 THR HG2 H 1.255 0.020 1 39 5 5 THR C C 176.483 0.3 1 40 5 5 THR CA C 60.812 0.3 1 41 5 5 THR CB C 70.999 0.3 1 42 5 5 THR CG2 C 22.517 0.3 1 43 5 5 THR N N 115.056 0.3 1 44 6 6 VAL H H 8.748 0.020 1 45 6 6 VAL HA H 5.390 0.020 1 46 6 6 VAL HB H 2.365 0.020 1 47 6 6 VAL HG1 H 0.928 0.020 2 48 6 6 VAL HG2 H 1.114 0.020 2 49 6 6 VAL C C 174.710 0.3 1 50 6 6 VAL CA C 58.911 0.3 1 51 6 6 VAL CB C 36.180 0.3 1 52 6 6 VAL CG1 C 21.836 0.3 1 53 6 6 VAL CG2 C 20.840 0.3 1 54 6 6 VAL N N 120.387 0.3 1 55 7 7 PHE H H 8.983 0.020 1 56 7 7 PHE HA H 5.948 0.020 1 57 7 7 PHE HB2 H 2.903 0.020 2 58 7 7 PHE HB3 H 2.706 0.020 2 59 7 7 PHE HD1 H 6.788 0.020 1 60 7 7 PHE HD2 H 6.788 0.020 1 61 7 7 PHE HE1 H 7.045 0.020 1 62 7 7 PHE HE2 H 7.045 0.020 1 63 7 7 PHE HZ H 6.915 0.020 1 64 7 7 PHE C C 173.634 0.3 1 65 7 7 PHE CA C 55.925 0.3 1 66 7 7 PHE CB C 43.166 0.3 1 67 7 7 PHE CD1 C 132.401 0.3 1 68 7 7 PHE CD2 C 132.401 0.3 1 69 7 7 PHE CE1 C 130.833 0.3 1 70 7 7 PHE CE2 C 130.833 0.3 1 71 7 7 PHE CZ C 130.780 0.3 1 72 7 7 PHE N N 119.175 0.3 1 73 8 8 PHE H H 9.573 0.020 1 74 8 8 PHE HA H 5.367 0.020 1 75 8 8 PHE HB2 H 3.503 0.020 2 76 8 8 PHE HB3 H 3.321 0.020 2 77 8 8 PHE HD1 H 7.538 0.020 1 78 8 8 PHE HD2 H 7.538 0.020 1 79 8 8 PHE HE1 H 7.168 0.020 1 80 8 8 PHE HE2 H 7.168 0.020 1 81 8 8 PHE HZ H 7.218 0.020 1 82 8 8 PHE C C 176.000 0.3 1 83 8 8 PHE CA C 53.460 0.3 1 84 8 8 PHE CB C 42.974 0.3 1 85 8 8 PHE CD1 C 129.284 0.3 1 86 8 8 PHE CD2 C 129.284 0.3 1 87 8 8 PHE CE1 C 131.330 0.3 1 88 8 8 PHE CE2 C 131.330 0.3 1 89 8 8 PHE CZ C 130.924 0.3 1 90 8 8 PHE N N 116.971 0.3 1 91 9 9 ASP H H 9.295 0.020 1 92 9 9 ASP HA H 5.585 0.020 1 93 9 9 ASP HB2 H 2.898 0.020 2 94 9 9 ASP HB3 H 2.569 0.020 2 95 9 9 ASP C C 176.286 0.3 1 96 9 9 ASP CA C 54.831 0.3 1 97 9 9 ASP CB C 41.349 0.3 1 98 9 9 ASP N N 124.189 0.3 1 99 10 10 ILE H H 9.093 0.020 1 100 10 10 ILE HA H 5.223 0.020 1 101 10 10 ILE HB H 2.101 0.020 1 102 10 10 ILE HG12 H 1.887 0.020 2 103 10 10 ILE HG13 H 1.699 0.020 2 104 10 10 ILE HG2 H 1.015 0.020 1 105 10 10 ILE HD1 H 1.045 0.020 1 106 10 10 ILE C C 177.031 0.3 1 107 10 10 ILE CA C 58.042 0.3 1 108 10 10 ILE CB C 37.769 0.3 1 109 10 10 ILE CG1 C 27.325 0.3 1 110 10 10 ILE CG2 C 18.556 0.3 1 111 10 10 ILE CD1 C 11.532 0.3 1 112 10 10 ILE N N 124.253 0.3 1 113 11 11 ALA H H 9.634 0.020 1 114 11 11 ALA HA H 5.216 0.020 1 115 11 11 ALA HB H 1.099 0.020 1 116 11 11 ALA C C 175.928 0.3 1 117 11 11 ALA CA C 50.948 0.3 1 118 11 11 ALA CB C 22.812 0.3 1 119 11 11 ALA N N 132.472 0.3 1 120 12 12 VAL H H 8.963 0.020 1 121 12 12 VAL HA H 4.563 0.020 1 122 12 12 VAL HB H 1.840 0.020 1 123 12 12 VAL HG1 H 0.701 0.020 2 124 12 12 VAL HG2 H 0.381 0.020 2 125 12 12 VAL C C 177.347 0.3 1 126 12 12 VAL CA C 60.506 0.3 1 127 12 12 VAL CB C 33.301 0.3 1 128 12 12 VAL CG1 C 21.765 0.3 1 129 12 12 VAL CG2 C 21.319 0.3 1 130 12 12 VAL N N 118.454 0.3 1 131 13 13 ASP H H 9.872 0.020 1 132 13 13 ASP HA H 4.372 0.020 1 133 13 13 ASP HB2 H 3.172 0.020 2 134 13 13 ASP HB3 H 2.566 0.020 2 135 13 13 ASP C C 176.795 0.3 1 136 13 13 ASP CA C 55.824 0.3 1 137 13 13 ASP CB C 39.910 0.3 1 138 13 13 ASP N N 130.987 0.3 1 139 14 14 GLY H H 8.578 0.020 1 140 14 14 GLY HA2 H 4.272 0.020 2 141 14 14 GLY HA3 H 3.494 0.020 2 142 14 14 GLY C C 174.700 0.3 1 143 14 14 GLY CA C 45.303 0.3 1 144 14 14 GLY N N 101.848 0.3 1 145 15 15 GLU H H 8.067 0.020 1 146 15 15 GLU HA H 4.891 0.020 1 147 15 15 GLU HB2 H 2.127 0.020 2 148 15 15 GLU HB3 H 2.024 0.020 2 149 15 15 GLU HG2 H 2.335 0.020 2 150 15 15 GLU HG3 H 2.245 0.020 2 151 15 15 GLU CA C 52.932 0.3 1 152 15 15 GLU CB C 30.468 0.3 1 153 15 15 GLU CG C 35.643 0.3 1 154 15 15 GLU N N 123.284 0.3 1 155 16 16 PRO HA H 4.225 0.020 1 156 16 16 PRO HB2 H 2.385 0.020 2 157 16 16 PRO HB3 H 1.931 0.020 2 158 16 16 PRO HG2 H 2.209 0.020 2 159 16 16 PRO HG3 H 2.027 0.020 2 160 16 16 PRO HD2 H 4.010 0.020 2 161 16 16 PRO HD3 H 3.782 0.020 2 162 16 16 PRO C C 177.072 0.3 1 163 16 16 PRO CA C 64.768 0.3 1 164 16 16 PRO CB C 32.380 0.3 1 165 16 16 PRO CG C 27.790 0.3 1 166 16 16 PRO CD C 51.011 0.3 1 167 17 17 LEU H H 9.212 0.020 1 168 17 17 LEU HA H 4.732 0.020 1 169 17 17 LEU HB2 H 1.655 0.020 2 170 17 17 LEU HB3 H 1.465 0.020 2 171 17 17 LEU HD1 H 0.868 0.020 2 172 17 17 LEU HD2 H 1.030 0.020 2 173 17 17 LEU C C 176.975 0.3 1 174 17 17 LEU CA C 54.996 0.3 1 175 17 17 LEU CB C 44.248 0.3 1 176 17 17 LEU CD1 C 25.839 0.3 1 177 17 17 LEU CD2 C 22.788 0.3 1 178 17 17 LEU N N 126.018 0.3 1 179 18 18 GLY H H 7.271 0.020 1 180 18 18 GLY HA2 H 4.342 0.020 2 181 18 18 GLY HA3 H 3.580 0.020 2 182 18 18 GLY C C 170.997 0.3 1 183 18 18 GLY CA C 44.722 0.3 1 184 18 18 GLY N N 102.496 0.3 1 185 19 19 ARG H H 8.375 0.020 1 186 19 19 ARG HA H 5.676 0.020 1 187 19 19 ARG HB2 H 2.036 0.020 2 188 19 19 ARG HB3 H 1.664 0.020 2 189 19 19 ARG C C 176.011 0.3 1 190 19 19 ARG CA C 55.149 0.3 1 191 19 19 ARG CB C 33.587 0.3 1 192 19 19 ARG N N 121.255 0.3 1 193 20 20 VAL H H 9.392 0.020 1 194 20 20 VAL HA H 4.651 0.020 1 195 20 20 VAL HB H 1.792 0.020 1 196 20 20 VAL HG1 H 0.901 0.020 2 197 20 20 VAL HG2 H 0.559 0.020 2 198 20 20 VAL C C 174.836 0.3 1 199 20 20 VAL CA C 60.075 0.3 1 200 20 20 VAL CB C 35.034 0.3 1 201 20 20 VAL CG1 C 22.062 0.3 1 202 20 20 VAL CG2 C 22.420 0.3 1 203 20 20 VAL N N 126.869 0.3 1 204 21 21 SER H H 8.786 0.020 1 205 21 21 SER HA H 5.573 0.020 1 206 21 21 SER HB2 H 3.792 0.020 2 207 21 21 SER HB3 H 3.624 0.020 2 208 21 21 SER C C 174.694 0.3 1 209 21 21 SER CA C 55.399 0.3 1 210 21 21 SER CB C 66.635 0.3 1 211 21 21 SER N N 120.206 0.3 1 212 22 22 PHE H H 9.534 0.020 1 213 22 22 PHE HA H 5.279 0.020 1 214 22 22 PHE HB2 H 2.480 0.020 2 215 22 22 PHE HB3 H 2.343 0.020 2 216 22 22 PHE HD1 H 6.543 0.020 1 217 22 22 PHE HD2 H 6.543 0.020 1 218 22 22 PHE HE1 H 6.203 0.020 1 219 22 22 PHE HE2 H 6.203 0.020 1 220 22 22 PHE HZ H 6.691 0.020 1 221 22 22 PHE C C 176.190 0.3 1 222 22 22 PHE CA C 55.882 0.3 1 223 22 22 PHE CB C 42.679 0.3 1 224 22 22 PHE CD1 C 132.018 0.3 1 225 22 22 PHE CD2 C 132.018 0.3 1 226 22 22 PHE CE1 C 130.689 0.3 1 227 22 22 PHE CE2 C 130.689 0.3 1 228 22 22 PHE CZ C 128.422 0.3 1 229 22 22 PHE N N 119.036 0.3 1 230 23 23 GLU H H 8.752 0.020 1 231 23 23 GLU HA H 4.797 0.020 1 232 23 23 GLU HB2 H 1.870 0.020 2 233 23 23 GLU HB3 H 1.749 0.020 2 234 23 23 GLU HG2 H 1.856 0.020 1 235 23 23 GLU HG3 H 1.856 0.020 1 236 23 23 GLU C C 175.673 0.3 1 237 23 23 GLU CA C 55.119 0.3 1 238 23 23 GLU CB C 32.058 0.3 1 239 23 23 GLU CG C 36.343 0.3 1 240 23 23 GLU N N 123.222 0.3 1 241 24 24 LEU H H 8.209 0.020 1 242 24 24 LEU HA H 4.749 0.020 1 243 24 24 LEU HB2 H 1.935 0.020 2 244 24 24 LEU HB3 H 1.278 0.020 2 245 24 24 LEU HG H 1.154 0.020 1 246 24 24 LEU HD1 H 1.151 0.020 2 247 24 24 LEU HD2 H 0.516 0.020 2 248 24 24 LEU C C 178.229 0.3 1 249 24 24 LEU CA C 52.072 0.3 1 250 24 24 LEU CB C 43.221 0.3 1 251 24 24 LEU CG C 26.675 0.3 1 252 24 24 LEU CD1 C 26.921 0.3 1 253 24 24 LEU CD2 C 23.207 0.3 1 254 24 24 LEU N N 122.513 0.3 1 255 25 25 PHE H H 8.846 0.020 1 256 25 25 PHE HA H 5.171 0.020 1 257 25 25 PHE HB2 H 3.307 0.020 2 258 25 25 PHE HB3 H 2.723 0.020 2 259 25 25 PHE HD1 H 6.924 0.020 1 260 25 25 PHE HD2 H 6.924 0.020 1 261 25 25 PHE C C 177.485 0.3 1 262 25 25 PHE CA C 54.699 0.3 1 263 25 25 PHE CB C 36.100 0.3 1 264 25 25 PHE CD1 C 131.564 0.3 1 265 25 25 PHE CD2 C 131.564 0.3 1 266 25 25 PHE N N 124.689 0.3 1 267 26 26 ALA H H 8.456 0.020 1 268 26 26 ALA HA H 3.817 0.020 1 269 26 26 ALA HB H 1.551 0.020 1 270 26 26 ALA C C 177.291 0.3 1 271 26 26 ALA CA C 54.424 0.3 1 272 26 26 ALA CB C 19.002 0.3 1 273 26 26 ALA N N 128.987 0.3 1 274 27 27 ASP H H 9.070 0.020 1 275 27 27 ASP HA H 4.197 0.020 1 276 27 27 ASP HB2 H 2.727 0.020 2 277 27 27 ASP HB3 H 2.679 0.020 2 278 27 27 ASP C C 177.976 0.3 1 279 27 27 ASP CA C 55.410 0.3 1 280 27 27 ASP CB C 38.821 0.3 1 281 27 27 ASP N N 114.299 0.3 1 282 28 28 LYS H H 7.559 0.020 1 283 28 28 LYS HA H 4.627 0.020 1 284 28 28 LYS HB2 H 1.821 0.020 1 285 28 28 LYS HB3 H 1.821 0.020 1 286 28 28 LYS HG2 H 1.624 0.020 1 287 28 28 LYS HG3 H 1.624 0.020 1 288 28 28 LYS HD2 H 1.441 0.020 1 289 28 28 LYS HD3 H 1.441 0.020 1 290 28 28 LYS HE2 H 3.045 0.020 1 291 28 28 LYS HE3 H 3.045 0.020 1 292 28 28 LYS C C 177.840 0.3 1 293 28 28 LYS CA C 56.282 0.3 1 294 28 28 LYS CB C 36.006 0.3 1 295 28 28 LYS CG C 28.541 0.3 1 296 28 28 LYS CD C 25.044 0.3 1 297 28 28 LYS CE C 42.117 0.3 1 298 28 28 LYS N N 118.056 0.3 1 299 29 29 VAL H H 8.390 0.020 1 300 29 29 VAL HA H 4.516 0.020 1 301 29 29 VAL HB H 2.581 0.020 1 302 29 29 VAL HG1 H 1.349 0.020 2 303 29 29 VAL HG2 H 1.043 0.020 2 304 29 29 VAL CA C 58.348 0.3 1 305 29 29 VAL CB C 32.078 0.3 1 306 29 29 VAL CG1 C 20.733 0.3 1 307 29 29 VAL CG2 C 25.466 0.3 1 308 29 29 VAL N N 114.591 0.3 1 309 30 30 PRO HA H 4.450 0.020 1 310 30 30 PRO HB2 H 2.621 0.020 2 311 30 30 PRO HB3 H 1.998 0.020 2 312 30 30 PRO HG2 H 2.154 0.020 2 313 30 30 PRO HG3 H 2.088 0.020 2 314 30 30 PRO HD2 H 3.586 0.020 2 315 30 30 PRO HD3 H 3.149 0.020 2 316 30 30 PRO C C 181.892 0.3 1 317 30 30 PRO CA C 66.227 0.3 1 318 30 30 PRO CB C 31.870 0.3 1 319 30 30 PRO CG C 27.465 0.3 1 320 30 30 PRO CD C 50.619 0.3 1 321 31 31 LYS H H 10.684 0.020 1 322 31 31 LYS HA H 4.064 0.020 1 323 31 31 LYS HB2 H 1.744 0.020 2 324 31 31 LYS HB3 H 1.588 0.020 2 325 31 31 LYS HD2 H 1.367 0.020 1 326 31 31 LYS HD3 H 1.367 0.020 1 327 31 31 LYS HE2 H 2.133 0.020 2 328 31 31 LYS HE3 H 1.921 0.020 2 329 31 31 LYS C C 182.749 0.3 1 330 31 31 LYS CA C 60.540 0.3 1 331 31 31 LYS CB C 32.468 0.3 1 332 31 31 LYS CD C 29.709 0.3 1 333 31 31 LYS CE C 41.216 0.3 1 334 31 31 LYS N N 123.785 0.3 1 335 32 32 THR H H 10.309 0.020 1 336 32 32 THR HA H 4.039 0.020 1 337 32 32 THR HB H 4.201 0.020 1 338 32 32 THR HG2 H 0.971 0.020 1 339 32 32 THR C C 178.673 0.3 1 340 32 32 THR CA C 67.526 0.3 1 341 32 32 THR CB C 68.705 0.3 1 342 32 32 THR CG2 C 22.475 0.3 1 343 32 32 THR N N 124.005 0.3 1 344 33 33 ALA H H 9.310 0.020 1 345 33 33 ALA HA H 4.087 0.020 1 346 33 33 ALA HB H 1.482 0.020 1 347 33 33 ALA C C 179.174 0.3 1 348 33 33 ALA CA C 55.989 0.3 1 349 33 33 ALA CB C 18.419 0.3 1 350 33 33 ALA N N 125.656 0.3 1 351 34 34 GLU H H 8.047 0.020 1 352 34 34 GLU HA H 4.559 0.020 1 353 34 34 GLU HB2 H 2.319 0.020 2 354 34 34 GLU HB3 H 1.806 0.020 2 355 34 34 GLU HG2 H 2.541 0.020 2 356 34 34 GLU HG3 H 2.081 0.020 2 357 34 34 GLU C C 178.418 0.3 1 358 34 34 GLU CA C 58.007 0.3 1 359 34 34 GLU CB C 28.076 0.3 1 360 34 34 GLU CG C 33.325 0.3 1 361 34 34 GLU N N 117.254 0.3 1 362 35 35 ASN H H 7.154 0.020 1 363 35 35 ASN HA H 4.103 0.020 1 364 35 35 ASN HB2 H 2.966 0.020 2 365 35 35 ASN HB3 H 2.450 0.020 2 366 35 35 ASN HD21 H 9.028 0.020 1 367 35 35 ASN HD22 H 6.817 0.020 1 368 35 35 ASN C C 175.568 0.3 1 369 35 35 ASN CA C 56.739 0.3 1 370 35 35 ASN CB C 39.644 0.3 1 371 35 35 ASN N N 115.606 0.3 1 372 35 35 ASN ND2 N 115.274 0.3 1 373 36 36 PHE H H 7.037 0.020 1 374 36 36 PHE HA H 4.189 0.020 1 375 36 36 PHE HB2 H 3.109 0.020 2 376 36 36 PHE HB3 H 2.965 0.020 2 377 36 36 PHE HD1 H 7.030 0.020 1 378 36 36 PHE HD2 H 7.030 0.020 1 379 36 36 PHE C C 179.707 0.3 1 380 36 36 PHE CA C 61.540 0.3 1 381 36 36 PHE CB C 39.948 0.3 1 382 36 36 PHE CD1 C 130.814 0.3 1 383 36 36 PHE CD2 C 130.814 0.3 1 384 36 36 PHE N N 117.896 0.3 1 385 37 37 ARG H H 8.964 0.020 1 386 37 37 ARG HA H 3.685 0.020 1 387 37 37 ARG HB2 H 1.969 0.020 2 388 37 37 ARG HB3 H 2.021 0.020 2 389 37 37 ARG C C 179.000 0.3 1 390 37 37 ARG CA C 60.515 0.3 1 391 37 37 ARG CB C 29.880 0.3 1 392 37 37 ARG N N 121.058 0.3 1 393 38 38 ALA H H 8.713 0.020 1 394 38 38 ALA HA H 4.126 0.020 1 395 38 38 ALA HB H 1.284 0.020 1 396 38 38 ALA C C 183.365 0.3 1 397 38 38 ALA CA C 54.477 0.3 1 398 38 38 ALA CB C 18.405 0.3 1 399 38 38 ALA N N 119.107 0.3 1 400 39 39 LEU H H 8.212 0.020 1 401 39 39 LEU HA H 3.800 0.020 1 402 39 39 LEU HB2 H 1.408 0.020 1 403 39 39 LEU HB3 H 1.408 0.020 1 404 39 39 LEU HG H 0.922 0.020 1 405 39 39 LEU HD1 H 0.876 0.020 2 406 39 39 LEU HD2 H 0.583 0.020 2 407 39 39 LEU C C 180.481 0.3 1 408 39 39 LEU CA C 57.268 0.3 1 409 39 39 LEU CB C 41.184 0.3 1 410 39 39 LEU CG C 26.759 0.3 1 411 39 39 LEU CD1 C 25.868 0.3 1 412 39 39 LEU CD2 C 24.326 0.3 1 413 39 39 LEU N N 120.723 0.3 1 414 40 40 SER H H 7.912 0.020 1 415 40 40 SER HA H 4.341 0.020 1 416 40 40 SER HB2 H 3.617 0.020 2 417 40 40 SER HB3 H 3.584 0.020 2 418 40 40 SER C C 175.380 0.3 1 419 40 40 SER CA C 62.924 0.3 1 420 40 40 SER CB C 63.071 0.3 1 421 40 40 SER N N 119.251 0.3 1 422 41 41 THR H H 8.001 0.020 1 423 41 41 THR HA H 4.486 0.020 1 424 41 41 THR HB H 4.504 0.020 1 425 41 41 THR HG2 H 1.384 0.020 1 426 41 41 THR C C 179.088 0.3 1 427 41 41 THR CA C 62.518 0.3 1 428 41 41 THR CB C 69.663 0.3 1 429 41 41 THR CG2 C 22.484 0.3 1 430 41 41 THR N N 108.465 0.3 1 431 42 42 GLY H H 7.605 0.020 1 432 42 42 GLY HA2 H 3.920 0.020 2 433 42 42 GLY HA3 H 3.539 0.020 2 434 42 42 GLY C C 178.676 0.3 1 435 42 42 GLY CA C 45.840 0.3 1 436 42 42 GLY N N 108.322 0.3 1 437 43 43 GLU H H 8.032 0.020 1 438 43 43 GLU HA H 4.171 0.020 1 439 43 43 GLU HG2 H 1.883 0.020 1 440 43 43 GLU HG3 H 1.883 0.020 1 441 43 43 GLU C C 177.458 0.3 1 442 43 43 GLU CA C 58.580 0.3 1 443 43 43 GLU CG C 35.524 0.3 1 444 43 43 GLU N N 118.670 0.3 1 445 44 44 LYS H H 9.116 0.020 1 446 44 44 LYS HA H 4.342 0.020 1 447 44 44 LYS HB2 H 1.662 0.020 2 448 44 44 LYS HB3 H 0.939 0.020 2 449 44 44 LYS HG2 H 1.095 0.020 1 450 44 44 LYS HG3 H 1.095 0.020 1 451 44 44 LYS HD2 H 1.504 0.020 1 452 44 44 LYS HD3 H 1.504 0.020 1 453 44 44 LYS HE2 H 2.885 0.020 2 454 44 44 LYS HE3 H 2.724 0.020 2 455 44 44 LYS C C 177.590 0.3 1 456 44 44 LYS CA C 54.405 0.3 1 457 44 44 LYS CB C 30.480 0.3 1 458 44 44 LYS CG C 24.996 0.3 1 459 44 44 LYS CD C 27.758 0.3 1 460 44 44 LYS CE C 42.284 0.3 1 461 44 44 LYS N N 118.390 0.3 1 462 45 45 GLY H H 7.957 0.020 1 463 45 45 GLY HA2 H 4.369 0.020 2 464 45 45 GLY HA3 H 3.615 0.020 2 465 45 45 GLY C C 173.518 0.3 1 466 45 45 GLY CA C 44.712 0.3 1 467 45 45 GLY N N 105.556 0.3 1 468 46 46 PHE H H 6.442 0.020 1 469 46 46 PHE HA H 4.678 0.020 1 470 46 46 PHE HB2 H 3.151 0.020 2 471 46 46 PHE HB3 H 2.753 0.020 2 472 46 46 PHE HD1 H 6.661 0.020 1 473 46 46 PHE HD2 H 6.661 0.020 1 474 46 46 PHE HE1 H 7.009 0.020 1 475 46 46 PHE HE2 H 7.009 0.020 1 476 46 46 PHE HZ H 7.108 0.020 1 477 46 46 PHE C C 173.684 0.3 1 478 46 46 PHE CA C 54.077 0.3 1 479 46 46 PHE CB C 39.658 0.3 1 480 46 46 PHE CD1 C 133.003 0.3 1 481 46 46 PHE CD2 C 133.003 0.3 1 482 46 46 PHE CE1 C 130.819 0.3 1 483 46 46 PHE CE2 C 130.819 0.3 1 484 46 46 PHE CZ C 129.372 0.3 1 485 46 46 PHE N N 113.692 0.3 1 486 47 47 GLY H H 7.761 0.020 1 487 47 47 GLY HA2 H 4.404 0.020 2 488 47 47 GLY HA3 H 2.591 0.020 2 489 47 47 GLY C C 172.446 0.3 1 490 47 47 GLY CA C 45.601 0.3 1 491 47 47 GLY N N 104.660 0.3 1 492 48 48 TYR H H 6.928 0.020 1 493 48 48 TYR HA H 4.273 0.020 1 494 48 48 TYR HB2 H 2.712 0.020 2 495 48 48 TYR HB3 H 2.874 0.020 2 496 48 48 TYR HD1 H 6.788 0.020 1 497 48 48 TYR HD2 H 6.788 0.020 1 498 48 48 TYR C C 178.924 0.3 1 499 48 48 TYR CA C 57.293 0.3 1 500 48 48 TYR CB C 38.832 0.3 1 501 48 48 TYR CD1 C 132.026 0.3 1 502 48 48 TYR CD2 C 132.026 0.3 1 503 48 48 TYR N N 113.772 0.3 1 504 49 49 LYS H H 8.493 0.020 1 505 49 49 LYS HA H 3.651 0.020 1 506 49 49 LYS HB2 H 2.012 0.020 2 507 49 49 LYS HB3 H 1.651 0.020 2 508 49 49 LYS HE2 H 3.289 0.020 2 509 49 49 LYS HE3 H 3.117 0.020 2 510 49 49 LYS C C 178.388 0.3 1 511 49 49 LYS CA C 61.190 0.3 1 512 49 49 LYS CB C 31.484 0.3 1 513 49 49 LYS CE C 42.247 0.3 1 514 49 49 LYS N N 124.858 0.3 1 515 50 50 GLY H H 9.506 0.020 1 516 50 50 GLY HA2 H 4.436 0.020 2 517 50 50 GLY HA3 H 3.732 0.020 2 518 50 50 GLY C C 175.259 0.3 1 519 50 50 GLY CA C 45.509 0.3 1 520 50 50 GLY N N 117.874 0.3 1 521 51 51 SER H H 8.411 0.020 1 522 51 51 SER HA H 4.514 0.020 1 523 51 51 SER HB2 H 4.218 0.020 2 524 51 51 SER HB3 H 4.082 0.020 2 525 51 51 SER C C 172.808 0.3 1 526 51 51 SER CA C 59.214 0.3 1 527 51 51 SER CB C 63.781 0.3 1 528 51 51 SER N N 116.444 0.3 1 529 52 52 CYS H H 9.955 0.020 1 530 52 52 CYS HA H 5.932 0.020 1 531 52 52 CYS HB2 H 3.106 0.020 2 532 52 52 CYS HB3 H 3.088 0.020 2 533 52 52 CYS C C 177.437 0.3 1 534 52 52 CYS CA C 55.998 0.3 1 535 52 52 CYS CB C 31.953 0.3 1 536 52 52 CYS N N 115.115 0.3 1 537 53 53 PHE H H 8.722 0.020 1 538 53 53 PHE HA H 4.880 0.020 1 539 53 53 PHE HB2 H 2.972 0.020 2 540 53 53 PHE HB3 H 2.679 0.020 2 541 53 53 PHE HD1 H 6.955 0.020 1 542 53 53 PHE HD2 H 6.955 0.020 1 543 53 53 PHE HE1 H 7.211 0.020 1 544 53 53 PHE HE2 H 7.211 0.020 1 545 53 53 PHE HZ H 7.428 0.020 1 546 53 53 PHE C C 175.886 0.3 1 547 53 53 PHE CA C 58.071 0.3 1 548 53 53 PHE CB C 39.535 0.3 1 549 53 53 PHE CD1 C 131.581 0.3 1 550 53 53 PHE CD2 C 131.581 0.3 1 551 53 53 PHE CE1 C 131.091 0.3 1 552 53 53 PHE CE2 C 131.091 0.3 1 553 53 53 PHE CZ C 128.751 0.3 1 554 53 53 PHE N N 123.039 0.3 1 555 54 54 HIS H H 7.641 0.020 1 556 54 54 HIS HA H 4.763 0.020 1 557 54 54 HIS HB2 H 3.345 0.020 2 558 54 54 HIS HB3 H 2.872 0.020 2 559 54 54 HIS C C 176.409 0.3 1 560 54 54 HIS CA C 57.323 0.3 1 561 54 54 HIS CB C 31.497 0.3 1 562 54 54 HIS N N 120.175 0.3 1 563 55 55 ARG H H 7.069 0.020 1 564 55 55 ARG HA H 5.118 0.020 1 565 55 55 ARG HB2 H 1.436 0.020 2 566 55 55 ARG HB3 H 1.284 0.020 2 567 55 55 ARG HG3 H 1.261 0.020 1 568 55 55 ARG HD2 H 3.213 0.020 2 569 55 55 ARG HD3 H 3.162 0.020 2 570 55 55 ARG C C 174.511 0.3 1 571 55 55 ARG CA C 54.913 0.3 1 572 55 55 ARG CB C 33.883 0.3 1 573 55 55 ARG CG C 28.226 0.3 1 574 55 55 ARG CD C 43.565 0.3 1 575 55 55 ARG N N 123.090 0.3 1 576 56 56 ILE H H 9.197 0.020 1 577 56 56 ILE HA H 4.641 0.020 1 578 56 56 ILE HB H 1.622 0.020 1 579 56 56 ILE HG12 H 1.099 0.020 1 580 56 56 ILE HG13 H 1.099 0.020 1 581 56 56 ILE HG2 H 1.043 0.020 1 582 56 56 ILE HD1 H 0.887 0.020 1 583 56 56 ILE C C 174.633 0.3 1 584 56 56 ILE CA C 61.674 0.3 1 585 56 56 ILE CB C 41.666 0.3 1 586 56 56 ILE CG1 C 27.009 0.3 1 587 56 56 ILE CG2 C 17.777 0.3 1 588 56 56 ILE CD1 C 14.489 0.3 1 589 56 56 ILE N N 126.443 0.3 1 590 57 57 ILE H H 8.744 0.020 1 591 57 57 ILE HA H 5.239 0.020 1 592 57 57 ILE HB H 1.956 0.020 1 593 57 57 ILE HG12 H 1.498 0.020 1 594 57 57 ILE HG13 H 1.498 0.020 1 595 57 57 ILE HG2 H 1.169 0.020 1 596 57 57 ILE HD1 H 0.965 0.020 1 597 57 57 ILE CA C 57.879 0.3 1 598 57 57 ILE CB C 40.236 0.3 1 599 57 57 ILE CG1 C 27.560 0.3 1 600 57 57 ILE CG2 C 17.646 0.3 1 601 57 57 ILE CD1 C 13.756 0.3 1 602 57 57 ILE N N 127.950 0.3 1 603 58 58 PRO HA H 4.382 0.020 1 604 58 58 PRO HB2 H 2.251 0.020 2 605 58 58 PRO HB3 H 1.864 0.020 2 606 58 58 PRO HG3 H 1.938 0.020 1 607 58 58 PRO HD2 H 4.053 0.020 2 608 58 58 PRO HD3 H 3.507 0.020 2 609 58 58 PRO C C 178.669 0.3 1 610 58 58 PRO CA C 63.086 0.3 1 611 58 58 PRO CB C 31.996 0.3 1 612 58 58 PRO CG C 27.059 0.3 1 613 58 58 PRO CD C 52.297 0.3 1 614 59 59 GLY H H 9.736 0.020 1 615 59 59 GLY HA2 H 3.991 0.020 2 616 59 59 GLY HA3 H 3.847 0.020 2 617 59 59 GLY C C 173.281 0.3 1 618 59 59 GLY CA C 45.192 0.3 1 619 59 59 GLY N N 114.182 0.3 1 620 60 60 PHE H H 8.187 0.020 1 621 60 60 PHE HA H 5.153 0.020 1 622 60 60 PHE HB2 H 3.229 0.020 2 623 60 60 PHE HB3 H 3.099 0.020 2 624 60 60 PHE HD1 H 7.326 0.020 1 625 60 60 PHE HD2 H 7.326 0.020 1 626 60 60 PHE HE1 H 7.155 0.020 1 627 60 60 PHE HE2 H 7.155 0.020 1 628 60 60 PHE HZ H 6.906 0.020 1 629 60 60 PHE C C 174.401 0.3 1 630 60 60 PHE CA C 56.867 0.3 1 631 60 60 PHE CB C 39.837 0.3 1 632 60 60 PHE CD1 C 130.541 0.3 1 633 60 60 PHE CD2 C 130.541 0.3 1 634 60 60 PHE CE1 C 131.343 0.3 1 635 60 60 PHE CE2 C 131.343 0.3 1 636 60 60 PHE CZ C 128.955 0.3 1 637 60 60 PHE N N 119.243 0.3 1 638 61 61 MET H H 8.109 0.020 1 639 61 61 MET HA H 5.369 0.020 1 640 61 61 MET HB2 H 2.199 0.020 2 641 61 61 MET HB3 H 1.446 0.020 2 642 61 61 MET HE H 1.200 0.020 1 643 61 61 MET C C 175.163 0.3 1 644 61 61 MET CA C 55.062 0.3 1 645 61 61 MET CB C 34.871 0.3 1 646 61 61 MET CE C 14.521 0.3 1 647 61 61 MET N N 111.156 0.3 1 648 62 62 CYS H H 8.489 0.020 1 649 62 62 CYS HA H 4.941 0.020 1 650 62 62 CYS HB2 H 3.031 0.020 2 651 62 62 CYS HB3 H 2.544 0.020 2 652 62 62 CYS C C 174.075 0.3 1 653 62 62 CYS CA C 57.485 0.3 1 654 62 62 CYS CB C 30.270 0.3 1 655 62 62 CYS N N 114.866 0.3 1 656 63 63 GLN H H 9.672 0.020 1 657 63 63 GLN HA H 5.425 0.020 1 658 63 63 GLN HB2 H 2.174 0.020 2 659 63 63 GLN HB3 H 1.819 0.020 2 660 63 63 GLN C C 175.024 0.3 1 661 63 63 GLN CA C 54.700 0.3 1 662 63 63 GLN CB C 30.529 0.3 1 663 63 63 GLN N N 126.661 0.3 1 664 64 64 GLY H H 7.380 0.020 1 665 64 64 GLY HA2 H 4.768 0.020 2 666 64 64 GLY HA3 H 2.621 0.020 2 667 64 64 GLY C C 174.113 0.3 1 668 64 64 GLY CA C 44.676 0.3 1 669 64 64 GLY N N 110.767 0.3 1 670 65 65 GLY H H 9.351 0.020 1 671 65 65 GLY HA2 H 4.820 0.020 2 672 65 65 GLY HA3 H 3.847 0.020 2 673 65 65 GLY C C 176.175 0.3 1 674 65 65 GLY CA C 46.674 0.3 1 675 65 65 GLY N N 105.886 0.3 1 676 66 66 ASP H H 9.962 0.020 1 677 66 66 ASP HA H 4.337 0.020 1 678 66 66 ASP HB2 H 2.980 0.020 2 679 66 66 ASP HB3 H 2.974 0.020 2 680 66 66 ASP C C 177.105 0.3 1 681 66 66 ASP CA C 51.592 0.3 1 682 66 66 ASP CB C 38.926 0.3 1 683 66 66 ASP N N 123.917 0.3 1 684 67 67 PHE H H 6.657 0.020 1 685 67 67 PHE HA H 4.655 0.020 1 686 67 67 PHE HB2 H 3.969 0.020 2 687 67 67 PHE HB3 H 2.621 0.020 2 688 67 67 PHE HD1 H 7.229 0.020 1 689 67 67 PHE HD2 H 7.229 0.020 1 690 67 67 PHE HE1 H 7.445 0.020 1 691 67 67 PHE HE2 H 7.445 0.020 1 692 67 67 PHE C C 175.240 0.3 1 693 67 67 PHE CA C 55.683 0.3 1 694 67 67 PHE CB C 39.509 0.3 1 695 67 67 PHE CD1 C 132.453 0.3 1 696 67 67 PHE CD2 C 132.453 0.3 1 697 67 67 PHE CE1 C 131.131 0.3 1 698 67 67 PHE CE2 C 131.131 0.3 1 699 67 67 PHE N N 116.079 0.3 1 700 68 68 THR H H 7.338 0.020 1 701 68 68 THR HA H 4.693 0.020 1 702 68 68 THR HB H 4.164 0.020 1 703 68 68 THR HG2 H 0.737 0.020 1 704 68 68 THR C C 176.514 0.3 1 705 68 68 THR CA C 61.844 0.3 1 706 68 68 THR CB C 68.922 0.3 1 707 68 68 THR CG2 C 17.325 0.3 1 708 68 68 THR N N 109.024 0.3 1 709 69 69 ARG H H 8.686 0.020 1 710 69 69 ARG HA H 4.421 0.020 1 711 69 69 ARG HB2 H 1.660 0.020 1 712 69 69 ARG HB3 H 1.660 0.020 1 713 69 69 ARG HG2 H 1.501 0.020 2 714 69 69 ARG HG3 H 1.425 0.020 2 715 69 69 ARG HD2 H 3.114 0.020 2 716 69 69 ARG HD3 H 3.005 0.020 2 717 69 69 ARG CA C 55.265 0.3 1 718 69 69 ARG CB C 31.727 0.3 1 719 69 69 ARG CG C 26.755 0.3 1 720 69 69 ARG CD C 43.288 0.3 1 721 69 69 ARG N N 122.021 0.3 1 722 70 70 HIS H H 7.358 0.020 1 723 70 70 HIS HA H 4.451 0.020 1 724 70 70 HIS HB2 H 3.281 0.020 2 725 70 70 HIS HB3 H 3.269 0.020 2 726 70 70 HIS C C 175.306 0.3 1 727 70 70 HIS CA C 57.193 0.3 1 728 70 70 HIS CB C 28.587 0.3 1 729 70 70 HIS N N 111.329 0.3 1 730 71 71 ASN H H 7.509 0.020 1 731 71 71 ASN HA H 4.646 0.020 1 732 71 71 ASN HB2 H 3.193 0.020 2 733 71 71 ASN HB3 H 3.154 0.020 2 734 71 71 ASN HD21 H 7.600 0.020 1 735 71 71 ASN HD22 H 6.782 0.020 1 736 71 71 ASN C C 176.752 0.3 1 737 71 71 ASN CA C 52.428 0.3 1 738 71 71 ASN CB C 39.036 0.3 1 739 71 71 ASN N N 112.522 0.3 1 740 71 71 ASN ND2 N 110.335 0.3 1 741 72 72 GLY H H 9.671 0.020 1 742 72 72 GLY HA2 H 4.446 0.020 2 743 72 72 GLY HA3 H 3.193 0.020 2 744 72 72 GLY C C 176.669 0.3 1 745 72 72 GLY CA C 44.887 0.3 1 746 72 72 GLY N N 110.548 0.3 1 747 73 73 THR H H 7.947 0.020 1 748 73 73 THR HA H 4.539 0.020 1 749 73 73 THR HB H 4.302 0.020 1 750 73 73 THR HG2 H 1.078 0.020 1 751 73 73 THR C C 176.905 0.3 1 752 73 73 THR CA C 62.339 0.3 1 753 73 73 THR CB C 70.677 0.3 1 754 73 73 THR CG2 C 21.129 0.3 1 755 73 73 THR N N 112.094 0.3 1 756 74 74 GLY H H 8.711 0.020 1 757 74 74 GLY HA2 H 4.521 0.020 2 758 74 74 GLY HA3 H 3.542 0.020 2 759 74 74 GLY C C 176.149 0.3 1 760 74 74 GLY CA C 45.126 0.3 1 761 74 74 GLY N N 113.872 0.3 1 762 75 75 GLY H H 8.128 0.020 1 763 75 75 GLY HA2 H 4.617 0.020 2 764 75 75 GLY HA3 H 2.627 0.020 2 765 75 75 GLY C C 173.012 0.3 1 766 75 75 GLY CA C 43.371 0.3 1 767 75 75 GLY N N 108.969 0.3 1 768 76 76 LYS H H 7.015 0.020 1 769 76 76 LYS HA H 4.657 0.020 1 770 76 76 LYS HB2 H 1.960 0.020 2 771 76 76 LYS HB3 H 1.933 0.020 2 772 76 76 LYS HD2 H 1.672 0.020 1 773 76 76 LYS HD3 H 1.672 0.020 1 774 76 76 LYS C C 173.512 0.3 1 775 76 76 LYS CA C 56.076 0.3 1 776 76 76 LYS CB C 34.648 0.3 1 777 76 76 LYS CD C 29.668 0.3 1 778 76 76 LYS N N 115.428 0.3 1 779 77 77 SER H H 7.735 0.020 1 780 77 77 SER HA H 5.240 0.020 1 781 77 77 SER HB2 H 4.301 0.020 2 782 77 77 SER HB3 H 4.298 0.020 2 783 77 77 SER C C 176.746 0.3 1 784 77 77 SER CA C 57.077 0.3 1 785 77 77 SER CB C 69.505 0.3 1 786 77 77 SER N N 114.246 0.3 1 787 78 78 ILE H H 8.577 0.020 1 788 78 78 ILE HA H 4.208 0.020 1 789 78 78 ILE HB H 1.745 0.020 1 790 78 78 ILE HG2 H 0.766 0.020 1 791 78 78 ILE HD1 H 0.530 0.020 1 792 78 78 ILE C C 176.973 0.3 1 793 78 78 ILE CA C 63.675 0.3 1 794 78 78 ILE CB C 37.434 0.3 1 795 78 78 ILE CG2 C 17.644 0.3 1 796 78 78 ILE CD1 C 14.245 0.3 1 797 78 78 ILE N N 111.280 0.3 1 798 79 79 TYR H H 8.068 0.020 1 799 79 79 TYR HA H 4.729 0.020 1 800 79 79 TYR HB2 H 3.485 0.020 2 801 79 79 TYR HB3 H 2.386 0.020 2 802 79 79 TYR HD1 H 6.443 0.020 1 803 79 79 TYR HD2 H 6.443 0.020 1 804 79 79 TYR HE1 H 6.139 0.020 1 805 79 79 TYR C C 176.316 0.3 1 806 79 79 TYR CA C 55.914 0.3 1 807 79 79 TYR CB C 38.909 0.3 1 808 79 79 TYR CD1 C 132.727 0.3 1 809 79 79 TYR CD2 C 132.727 0.3 1 810 79 79 TYR CE1 C 118.010 0.3 1 811 79 79 TYR N N 120.822 0.3 1 812 80 80 GLY H H 7.101 0.020 1 813 80 80 GLY HA2 H 4.778 0.020 2 814 80 80 GLY HA3 H 4.051 0.020 2 815 80 80 GLY CA C 46.119 0.3 1 816 80 80 GLY N N 106.392 0.3 1 817 81 81 GLU H H 8.884 0.020 1 818 81 81 GLU HA H 3.975 0.020 1 819 81 81 GLU HB2 H 2.117 0.020 2 820 81 81 GLU HB3 H 2.110 0.020 2 821 81 81 GLU HG2 H 2.398 0.020 2 822 81 81 GLU HG3 H 2.297 0.020 2 823 81 81 GLU C C 176.729 0.3 1 824 81 81 GLU CA C 60.813 0.3 1 825 81 81 GLU CB C 29.927 0.3 1 826 81 81 GLU CG C 36.650 0.3 1 827 81 81 GLU N N 122.638 0.3 1 828 82 82 LYS H H 7.832 0.020 1 829 82 82 LYS HA H 5.609 0.020 1 830 82 82 LYS HB2 H 1.603 0.020 2 831 82 82 LYS HB3 H 1.711 0.020 2 832 82 82 LYS HG2 H 1.295 0.020 2 833 82 82 LYS HG3 H 1.289 0.020 2 834 82 82 LYS HD2 H 1.601 0.020 2 835 82 82 LYS HD3 H 1.596 0.020 2 836 82 82 LYS HE2 H 2.962 0.020 1 837 82 82 LYS HE3 H 2.962 0.020 1 838 82 82 LYS C C 176.495 0.3 1 839 82 82 LYS CA C 53.755 0.3 1 840 82 82 LYS CB C 36.750 0.3 1 841 82 82 LYS CG C 24.467 0.3 1 842 82 82 LYS CD C 29.230 0.3 1 843 82 82 LYS CE C 42.279 0.3 1 844 82 82 LYS N N 111.971 0.3 1 845 83 83 PHE H H 9.173 0.020 1 846 83 83 PHE HA H 4.985 0.020 1 847 83 83 PHE HB2 H 3.074 0.020 2 848 83 83 PHE HB3 H 3.064 0.020 2 849 83 83 PHE HD1 H 7.369 0.020 1 850 83 83 PHE HD2 H 7.369 0.020 1 851 83 83 PHE HE1 H 7.566 0.020 1 852 83 83 PHE HE2 H 7.566 0.020 1 853 83 83 PHE HZ H 7.427 0.020 1 854 83 83 PHE C C 174.501 0.3 1 855 83 83 PHE CA C 56.012 0.3 1 856 83 83 PHE CB C 41.258 0.3 1 857 83 83 PHE CD1 C 134.482 0.3 1 858 83 83 PHE CD2 C 134.482 0.3 1 859 83 83 PHE CE1 C 131.006 0.3 1 860 83 83 PHE CE2 C 131.006 0.3 1 861 83 83 PHE CZ C 128.577 0.3 1 862 83 83 PHE N N 116.471 0.3 1 863 84 84 GLU H H 9.280 0.020 1 864 84 84 GLU HA H 3.848 0.020 1 865 84 84 GLU HB2 H 2.142 0.020 2 866 84 84 GLU HB3 H 2.032 0.020 2 867 84 84 GLU HG2 H 2.322 0.020 2 868 84 84 GLU HG3 H 2.095 0.020 2 869 84 84 GLU C C 177.248 0.3 1 870 84 84 GLU CA C 56.490 0.3 1 871 84 84 GLU CB C 29.329 0.3 1 872 84 84 GLU CG C 35.362 0.3 1 873 84 84 GLU N N 119.548 0.3 1 874 85 85 ASP H H 8.620 0.020 1 875 85 85 ASP HA H 4.285 0.020 1 876 85 85 ASP HB2 H 2.461 0.020 2 877 85 85 ASP HB3 H 1.968 0.020 2 878 85 85 ASP C C 177.100 0.3 1 879 85 85 ASP CA C 54.486 0.3 1 880 85 85 ASP CB C 40.977 0.3 1 881 85 85 ASP N N 118.795 0.3 1 882 86 86 GLU H H 9.465 0.020 1 883 86 86 GLU HA H 3.851 0.020 1 884 86 86 GLU HB2 H 2.145 0.020 2 885 86 86 GLU HB3 H 1.860 0.020 2 886 86 86 GLU HG2 H 2.572 0.020 2 887 86 86 GLU HG3 H 2.450 0.020 2 888 86 86 GLU C C 177.266 0.3 1 889 86 86 GLU CA C 60.354 0.3 1 890 86 86 GLU CB C 31.877 0.3 1 891 86 86 GLU CG C 35.453 0.3 1 892 86 86 GLU N N 131.726 0.3 1 893 87 87 ASN H H 7.065 0.020 1 894 87 87 ASN HA H 4.184 0.020 1 895 87 87 ASN HB2 H 3.496 0.020 2 896 87 87 ASN HB3 H 2.786 0.020 2 897 87 87 ASN HD21 H 7.982 0.020 1 898 87 87 ASN HD22 H 6.927 0.020 1 899 87 87 ASN C C 171.751 0.3 1 900 87 87 ASN CA C 52.828 0.3 1 901 87 87 ASN CB C 39.490 0.3 1 902 87 87 ASN N N 106.777 0.3 1 903 87 87 ASN ND2 N 117.016 0.3 1 904 88 88 PHE H H 8.361 0.020 1 905 88 88 PHE HA H 5.964 0.020 1 906 88 88 PHE HB2 H 3.569 0.020 2 907 88 88 PHE HB3 H 2.602 0.020 2 908 88 88 PHE HD1 H 7.309 0.020 1 909 88 88 PHE HD2 H 7.309 0.020 1 910 88 88 PHE HE1 H 6.885 0.020 1 911 88 88 PHE HE2 H 6.885 0.020 1 912 88 88 PHE HZ H 7.426 0.020 1 913 88 88 PHE C C 178.688 0.3 1 914 88 88 PHE CA C 55.847 0.3 1 915 88 88 PHE CB C 38.876 0.3 1 916 88 88 PHE CD1 C 132.126 0.3 1 917 88 88 PHE CD2 C 132.126 0.3 1 918 88 88 PHE CE1 C 130.696 0.3 1 919 88 88 PHE CE2 C 130.696 0.3 1 920 88 88 PHE CZ C 128.026 0.3 1 921 88 88 PHE N N 112.936 0.3 1 922 89 89 ILE H H 8.318 0.020 1 923 89 89 ILE HA H 3.708 0.020 1 924 89 89 ILE HB H 1.595 0.020 1 925 89 89 ILE HG12 H 1.498 0.020 2 926 89 89 ILE HG13 H 1.213 0.020 2 927 89 89 ILE HG2 H 0.899 0.020 1 928 89 89 ILE HD1 H 0.958 0.020 1 929 89 89 ILE C C 178.596 0.3 1 930 89 89 ILE CA C 65.039 0.3 1 931 89 89 ILE CB C 39.100 0.3 1 932 89 89 ILE CG1 C 29.468 0.3 1 933 89 89 ILE CG2 C 17.021 0.3 1 934 89 89 ILE CD1 C 13.709 0.3 1 935 89 89 ILE N N 119.802 0.3 1 936 90 90 LEU H H 7.764 0.020 1 937 90 90 LEU HA H 4.516 0.020 1 938 90 90 LEU HB2 H 1.866 0.020 2 939 90 90 LEU HB3 H 1.421 0.020 2 940 90 90 LEU HG H 0.801 0.020 1 941 90 90 LEU HD1 H 0.800 0.020 2 942 90 90 LEU HD2 H 0.695 0.020 2 943 90 90 LEU C C 177.345 0.3 1 944 90 90 LEU CA C 54.196 0.3 1 945 90 90 LEU CB C 42.057 0.3 1 946 90 90 LEU CG C 26.973 0.3 1 947 90 90 LEU CD1 C 26.775 0.3 1 948 90 90 LEU CD2 C 22.687 0.3 1 949 90 90 LEU N N 117.211 0.3 1 950 91 91 LYS H H 8.096 0.020 1 951 91 91 LYS HA H 4.635 0.020 1 952 91 91 LYS HB2 H 2.310 0.020 2 953 91 91 LYS HB3 H 1.596 0.020 2 954 91 91 LYS HE2 H 3.056 0.020 1 955 91 91 LYS HE3 H 3.056 0.020 1 956 91 91 LYS C C 177.296 0.3 1 957 91 91 LYS CA C 54.689 0.3 1 958 91 91 LYS CB C 34.704 0.3 1 959 91 91 LYS CE C 42.523 0.3 1 960 91 91 LYS N N 118.973 0.3 1 961 92 92 HIS H H 10.720 0.020 1 962 92 92 HIS HA H 4.398 0.020 1 963 92 92 HIS HB2 H 3.206 0.020 2 964 92 92 HIS HB3 H 2.933 0.020 2 965 92 92 HIS HD1 H 12.237 0.020 1 966 92 92 HIS HD2 H 8.108 0.020 1 967 92 92 HIS C C 178.794 0.3 1 968 92 92 HIS CA C 57.001 0.3 1 969 92 92 HIS CB C 26.064 0.3 1 970 92 92 HIS CD2 C 112.090 0.3 1 971 92 92 HIS N N 122.495 0.3 1 972 92 92 HIS ND1 N 169.230 0.3 1 973 93 93 THR H H 7.275 0.020 1 974 93 93 THR HA H 4.056 0.020 1 975 93 93 THR HB H 4.532 0.020 1 976 93 93 THR HG2 H 1.264 0.020 1 977 93 93 THR C C 176.456 0.3 1 978 93 93 THR CA C 63.324 0.3 1 979 93 93 THR CB C 69.416 0.3 1 980 93 93 THR CG2 C 22.789 0.3 1 981 93 93 THR N N 110.367 0.3 1 982 94 94 GLY H H 7.510 0.020 1 983 94 94 GLY C C 178.117 0.3 1 984 94 94 GLY N N 107.284 0.3 1 985 95 95 PRO HA H 3.844 0.020 1 986 95 95 PRO HB2 H 2.069 0.020 2 987 95 95 PRO HB3 H 1.883 0.020 2 988 95 95 PRO HG2 H 2.189 0.020 1 989 95 95 PRO HG3 H 2.189 0.020 1 990 95 95 PRO HD2 H 3.665 0.020 2 991 95 95 PRO HD3 H 3.450 0.020 2 992 95 95 PRO CA C 62.727 0.3 1 993 95 95 PRO CB C 32.152 0.3 1 994 95 95 PRO CG C 27.606 0.3 1 995 95 95 PRO CD C 49.796 0.3 1 996 96 96 GLY H H 9.289 0.020 1 997 96 96 GLY HA2 H 4.625 0.020 2 998 96 96 GLY HA3 H 3.384 0.020 2 999 96 96 GLY C C 174.025 0.3 1 1000 96 96 GLY CA C 45.068 0.3 1 1001 96 96 GLY N N 110.232 0.3 1 1002 97 97 ILE H H 6.787 0.020 1 1003 97 97 ILE HA H 4.169 0.020 1 1004 97 97 ILE HB H 2.276 0.020 1 1005 97 97 ILE HG12 H 1.824 0.020 2 1006 97 97 ILE HG13 H 1.717 0.020 2 1007 97 97 ILE HG2 H 1.030 0.020 1 1008 97 97 ILE HD1 H 1.016 0.020 1 1009 97 97 ILE C C 174.196 0.3 1 1010 97 97 ILE CA C 59.380 0.3 1 1011 97 97 ILE CB C 37.864 0.3 1 1012 97 97 ILE CG1 C 28.971 0.3 1 1013 97 97 ILE CG2 C 20.232 0.3 1 1014 97 97 ILE CD1 C 9.154 0.3 1 1015 97 97 ILE N N 121.407 0.3 1 1016 98 98 LEU H H 7.903 0.020 1 1017 98 98 LEU HA H 5.038 0.020 1 1018 98 98 LEU HB2 H 0.198 0.020 2 1019 98 98 LEU HB3 H 0.141 0.020 2 1020 98 98 LEU HG H 0.432 0.020 1 1021 98 98 LEU HD1 H -0.117 0.020 2 1022 98 98 LEU HD2 H -0.561 0.020 2 1023 98 98 LEU C C 175.316 0.3 1 1024 98 98 LEU CA C 53.372 0.3 1 1025 98 98 LEU CB C 43.700 0.3 1 1026 98 98 LEU CG C 26.430 0.3 1 1027 98 98 LEU CD1 C 24.204 0.3 1 1028 98 98 LEU CD2 C 25.229 0.3 1 1029 98 98 LEU N N 128.764 0.3 1 1030 99 99 SER H H 8.311 0.020 1 1031 99 99 SER HA H 5.346 0.020 1 1032 99 99 SER HB2 H 3.257 0.020 2 1033 99 99 SER HB3 H 2.880 0.020 2 1034 99 99 SER C C 175.732 0.3 1 1035 99 99 SER CA C 55.011 0.3 1 1036 99 99 SER CB C 65.451 0.3 1 1037 99 99 SER N N 118.604 0.3 1 1038 100 100 MET H H 8.572 0.020 1 1039 100 100 MET HA H 5.319 0.020 1 1040 100 100 MET HG2 H 2.815 0.020 1 1041 100 100 MET HG3 H 2.815 0.020 1 1042 100 100 MET HE H 2.136 0.020 1 1043 100 100 MET C C 178.920 0.3 1 1044 100 100 MET CA C 53.889 0.3 1 1045 100 100 MET CG C 32.899 0.3 1 1046 100 100 MET CE C 16.333 0.3 1 1047 100 100 MET N N 123.030 0.3 1 1048 101 101 ALA H H 8.042 0.020 1 1049 101 101 ALA HA H 4.362 0.020 1 1050 101 101 ALA HB H 1.165 0.020 1 1051 101 101 ALA C C 176.471 0.3 1 1052 101 101 ALA CA C 51.743 0.3 1 1053 101 101 ALA CB C 19.622 0.3 1 1054 101 101 ALA N N 126.071 0.3 1 1055 102 102 ASN H H 8.170 0.020 1 1056 102 102 ASN HA H 4.640 0.020 1 1057 102 102 ASN HB2 H 3.317 0.020 2 1058 102 102 ASN HB3 H 2.945 0.020 2 1059 102 102 ASN HD21 H 7.951 0.020 1 1060 102 102 ASN HD22 H 6.175 0.020 1 1061 102 102 ASN C C 174.740 0.3 1 1062 102 102 ASN CA C 54.188 0.3 1 1063 102 102 ASN CB C 40.578 0.3 1 1064 102 102 ASN N N 113.419 0.3 1 1065 102 102 ASN ND2 N 119.948 0.3 1 1066 103 103 ALA H H 8.796 0.020 1 1067 103 103 ALA HA H 4.868 0.020 1 1068 103 103 ALA HB H 1.351 0.020 1 1069 103 103 ALA C C 177.823 0.3 1 1070 103 103 ALA CA C 50.380 0.3 1 1071 103 103 ALA CB C 19.268 0.3 1 1072 103 103 ALA N N 123.431 0.3 1 1073 104 104 GLY H H 8.167 0.020 1 1074 104 104 GLY HA2 H 4.652 0.020 2 1075 104 104 GLY HA3 H 3.772 0.020 2 1076 104 104 GLY CA C 43.687 0.3 1 1077 104 104 GLY N N 109.255 0.3 1 1078 105 105 PRO HA H 4.385 0.020 1 1079 105 105 PRO HB2 H 2.373 0.020 2 1080 105 105 PRO HB3 H 1.875 0.020 2 1081 105 105 PRO HG2 H 2.187 0.020 2 1082 105 105 PRO HG3 H 2.028 0.020 2 1083 105 105 PRO HD2 H 3.662 0.020 2 1084 105 105 PRO HD3 H 3.568 0.020 2 1085 105 105 PRO C C 177.209 0.3 1 1086 105 105 PRO CA C 63.976 0.3 1 1087 105 105 PRO CB C 32.136 0.3 1 1088 105 105 PRO CG C 27.632 0.3 1 1089 105 105 PRO CD C 49.340 0.3 1 1090 106 106 ASN H H 8.887 0.020 1 1091 106 106 ASN HA H 4.049 0.020 1 1092 106 106 ASN HB2 H 3.140 0.020 2 1093 106 106 ASN HB3 H 2.715 0.020 2 1094 106 106 ASN HD21 H 7.768 0.020 1 1095 106 106 ASN HD22 H 7.122 0.020 1 1096 106 106 ASN C C 175.857 0.3 1 1097 106 106 ASN CA C 54.316 0.3 1 1098 106 106 ASN CB C 37.122 0.3 1 1099 106 106 ASN N N 119.060 0.3 1 1100 106 106 ASN ND2 N 116.348 0.3 1 1101 107 107 THR H H 10.218 0.020 1 1102 107 107 THR HA H 4.496 0.020 1 1103 107 107 THR HB H 4.445 0.020 1 1104 107 107 THR HG2 H 0.937 0.020 1 1105 107 107 THR C C 174.713 0.3 1 1106 107 107 THR CA C 60.337 0.3 1 1107 107 107 THR CB C 69.030 0.3 1 1108 107 107 THR CG2 C 21.299 0.3 1 1109 107 107 THR N N 110.229 0.3 1 1110 108 108 ASN H H 7.389 0.020 1 1111 108 108 ASN HA H 4.282 0.020 1 1112 108 108 ASN HB2 H 2.685 0.020 1 1113 108 108 ASN HB3 H 2.685 0.020 1 1114 108 108 ASN C C 175.078 0.3 1 1115 108 108 ASN CA C 55.523 0.3 1 1116 108 108 ASN CB C 39.036 0.3 1 1117 108 108 ASN N N 120.582 0.3 1 1118 109 109 GLY H H 9.191 0.020 1 1119 109 109 GLY HA2 H 4.650 0.020 2 1120 109 109 GLY HA3 H 3.694 0.020 2 1121 109 109 GLY C C 172.087 0.3 1 1122 109 109 GLY CA C 45.792 0.3 1 1123 109 109 GLY N N 110.759 0.3 1 1124 110 110 SER H H 8.780 0.020 1 1125 110 110 SER HA H 4.751 0.020 1 1126 110 110 SER HB2 H 4.656 0.020 2 1127 110 110 SER HB3 H 4.431 0.020 2 1128 110 110 SER C C 177.075 0.3 1 1129 110 110 SER CA C 57.526 0.3 1 1130 110 110 SER CB C 66.180 0.3 1 1131 110 110 SER N N 117.073 0.3 1 1132 111 111 GLN H H 8.413 0.020 1 1133 111 111 GLN HA H 4.218 0.020 1 1134 111 111 GLN HB2 H 2.147 0.020 2 1135 111 111 GLN HB3 H 1.993 0.020 2 1136 111 111 GLN HG2 H 2.257 0.020 1 1137 111 111 GLN HG3 H 2.257 0.020 1 1138 111 111 GLN HE21 H 7.302 0.020 1 1139 111 111 GLN HE22 H 6.222 0.020 1 1140 111 111 GLN C C 179.174 0.3 1 1141 111 111 GLN CA C 58.163 0.3 1 1142 111 111 GLN CB C 31.558 0.3 1 1143 111 111 GLN CG C 36.874 0.3 1 1144 111 111 GLN N N 124.457 0.3 1 1145 111 111 GLN NE2 N 111.337 0.3 1 1146 112 112 PHE H H 8.120 0.020 1 1147 112 112 PHE HA H 5.768 0.020 1 1148 112 112 PHE HB2 H 3.307 0.020 2 1149 112 112 PHE HB3 H 3.280 0.020 2 1150 112 112 PHE HD1 H 6.903 0.020 1 1151 112 112 PHE HD2 H 6.903 0.020 1 1152 112 112 PHE C C 172.840 0.3 1 1153 112 112 PHE CA C 55.546 0.3 1 1154 112 112 PHE CB C 43.298 0.3 1 1155 112 112 PHE CD1 C 131.320 0.3 1 1156 112 112 PHE CD2 C 131.320 0.3 1 1157 112 112 PHE N N 118.008 0.3 1 1158 113 113 PHE H H 9.821 0.020 1 1159 113 113 PHE HA H 5.723 0.020 1 1160 113 113 PHE HB2 H 2.955 0.020 2 1161 113 113 PHE HB3 H 2.893 0.020 2 1162 113 113 PHE HD1 H 6.829 0.020 1 1163 113 113 PHE HD2 H 6.829 0.020 1 1164 113 113 PHE HE1 H 6.807 0.020 1 1165 113 113 PHE HE2 H 6.807 0.020 1 1166 113 113 PHE HZ H 7.221 0.020 1 1167 113 113 PHE C C 175.349 0.3 1 1168 113 113 PHE CA C 54.589 0.3 1 1169 113 113 PHE CB C 42.825 0.3 1 1170 113 113 PHE CD1 C 131.897 0.3 1 1171 113 113 PHE CD2 C 131.897 0.3 1 1172 113 113 PHE CE1 C 130.713 0.3 1 1173 113 113 PHE CE2 C 130.713 0.3 1 1174 113 113 PHE CZ C 129.495 0.3 1 1175 113 113 PHE N N 116.451 0.3 1 1176 114 114 ILE H H 9.162 0.020 1 1177 114 114 ILE HA H 4.842 0.020 1 1178 114 114 ILE HB H 1.856 0.020 1 1179 114 114 ILE HG12 H 2.149 0.020 2 1180 114 114 ILE HG13 H 1.153 0.020 2 1181 114 114 ILE HG2 H 0.889 0.020 1 1182 114 114 ILE HD1 H 1.262 0.020 1 1183 114 114 ILE C C 178.414 0.3 1 1184 114 114 ILE CA C 60.265 0.3 1 1185 114 114 ILE CB C 40.320 0.3 1 1186 114 114 ILE CG1 C 26.850 0.3 1 1187 114 114 ILE CG2 C 17.859 0.3 1 1188 114 114 ILE CD1 C 15.093 0.3 1 1189 114 114 ILE N N 118.443 0.3 1 1190 115 115 CYS H H 9.627 0.020 1 1191 115 115 CYS HA H 4.808 0.020 1 1192 115 115 CYS HB2 H 3.533 0.020 2 1193 115 115 CYS HB3 H 3.153 0.020 2 1194 115 115 CYS C C 177.658 0.3 1 1195 115 115 CYS CA C 60.803 0.3 1 1196 115 115 CYS CB C 28.792 0.3 1 1197 115 115 CYS N N 125.492 0.3 1 1198 116 116 THR H H 8.969 0.020 1 1199 116 116 THR HA H 4.380 0.020 1 1200 116 116 THR HB H 4.487 0.020 1 1201 116 116 THR HG2 H 0.873 0.020 1 1202 116 116 THR C C 178.496 0.3 1 1203 116 116 THR CA C 60.844 0.3 1 1204 116 116 THR CB C 66.730 0.3 1 1205 116 116 THR CG2 C 23.210 0.3 1 1206 116 116 THR N N 115.702 0.3 1 1207 117 117 ALA H H 7.641 0.020 1 1208 117 117 ALA HA H 4.413 0.020 1 1209 117 117 ALA HB H 1.462 0.020 1 1210 117 117 ALA C C 176.114 0.3 1 1211 117 117 ALA CA C 50.648 0.3 1 1212 117 117 ALA CB C 22.793 0.3 1 1213 117 117 ALA N N 122.356 0.3 1 1214 118 118 LYS H H 8.717 0.020 1 1215 118 118 LYS HA H 3.828 0.020 1 1216 118 118 LYS HB2 H 2.028 0.020 2 1217 118 118 LYS HB3 H 1.694 0.020 2 1218 118 118 LYS HG2 H 1.569 0.020 1 1219 118 118 LYS HG3 H 1.569 0.020 1 1220 118 118 LYS HD2 H 1.811 0.020 1 1221 118 118 LYS HD3 H 1.811 0.020 1 1222 118 118 LYS HE2 H 3.107 0.020 1 1223 118 118 LYS HE3 H 3.107 0.020 1 1224 118 118 LYS C C 177.211 0.3 1 1225 118 118 LYS CA C 57.906 0.3 1 1226 118 118 LYS CB C 32.708 0.3 1 1227 118 118 LYS CG C 25.002 0.3 1 1228 118 118 LYS CD C 29.818 0.3 1 1229 118 118 LYS CE C 41.978 0.3 1 1230 118 118 LYS N N 119.811 0.3 1 1231 119 119 THR H H 7.342 0.020 1 1232 119 119 THR HA H 3.679 0.020 1 1233 119 119 THR HB H 2.869 0.020 1 1234 119 119 THR HG2 H 1.030 0.020 1 1235 119 119 THR C C 177.928 0.3 1 1236 119 119 THR CA C 57.177 0.3 1 1237 119 119 THR CB C 68.717 0.3 1 1238 119 119 THR CG2 C 19.848 0.3 1 1239 119 119 THR N N 119.007 0.3 1 1240 120 120 GLU H H 9.133 0.020 1 1241 120 120 GLU HA H 4.155 0.020 1 1242 120 120 GLU HB2 H 2.240 0.020 2 1243 120 120 GLU HB3 H 2.159 0.020 2 1244 120 120 GLU HG2 H 2.557 0.020 2 1245 120 120 GLU HG3 H 2.469 0.020 2 1246 120 120 GLU C C 178.190 0.3 1 1247 120 120 GLU CA C 59.386 0.3 1 1248 120 120 GLU CB C 29.209 0.3 1 1249 120 120 GLU CG C 35.523 0.3 1 1250 120 120 GLU N N 124.656 0.3 1 1251 121 121 TRP H H 7.273 0.020 1 1252 121 121 TRP HA H 4.716 0.020 1 1253 121 121 TRP HB2 H 3.457 0.020 2 1254 121 121 TRP HB3 H 3.388 0.020 2 1255 121 121 TRP HD1 H 7.080 0.020 1 1256 121 121 TRP HE1 H 9.705 0.020 1 1257 121 121 TRP HE3 H 7.722 0.020 1 1258 121 121 TRP HZ2 H 6.668 0.020 1 1259 121 121 TRP HZ3 H 7.377 0.020 1 1260 121 121 TRP HH2 H 7.170 0.020 1 1261 121 121 TRP C C 177.244 0.3 1 1262 121 121 TRP CA C 59.748 0.3 1 1263 121 121 TRP CB C 26.947 0.3 1 1264 121 121 TRP CD1 C 128.344 0.3 1 1265 121 121 TRP CE3 C 119.257 0.3 1 1266 121 121 TRP CZ2 C 115.170 0.3 1 1267 121 121 TRP CZ3 C 123.901 0.3 1 1268 121 121 TRP CH2 C 125.431 0.3 1 1269 121 121 TRP N N 117.781 0.3 1 1270 121 121 TRP NE1 N 130.051 0.3 1 1271 122 122 LEU H H 7.033 0.020 1 1272 122 122 LEU HA H 4.315 0.020 1 1273 122 122 LEU HB2 H 1.202 0.020 2 1274 122 122 LEU HB3 H 0.159 0.020 2 1275 122 122 LEU HG H 0.741 0.020 1 1276 122 122 LEU HD1 H 0.877 0.020 2 1277 122 122 LEU HD2 H 0.437 0.020 2 1278 122 122 LEU C C 173.304 0.3 1 1279 122 122 LEU CA C 54.543 0.3 1 1280 122 122 LEU CB C 39.065 0.3 1 1281 122 122 LEU CG C 23.027 0.3 1 1282 122 122 LEU CD1 C 21.851 0.3 1 1283 122 122 LEU CD2 C 25.500 0.3 1 1284 122 122 LEU N N 119.912 0.3 1 1285 123 123 ASP H H 7.643 0.020 1 1286 123 123 ASP HA H 5.222 0.020 1 1287 123 123 ASP HB2 H 2.996 0.020 2 1288 123 123 ASP HB3 H 2.722 0.020 2 1289 123 123 ASP C C 179.276 0.3 1 1290 123 123 ASP CA C 55.889 0.3 1 1291 123 123 ASP CB C 39.517 0.3 1 1292 123 123 ASP N N 122.205 0.3 1 1293 124 124 GLY H H 9.545 0.020 1 1294 124 124 GLY HA2 H 3.959 0.020 2 1295 124 124 GLY HA3 H 2.941 0.020 2 1296 124 124 GLY C C 173.148 0.3 1 1297 124 124 GLY CA C 45.092 0.3 1 1298 124 124 GLY N N 111.161 0.3 1 1299 125 125 LYS H H 7.728 0.020 1 1300 125 125 LYS HA H 4.162 0.020 1 1301 125 125 LYS HB2 H 1.874 0.020 2 1302 125 125 LYS HB3 H 1.723 0.020 2 1303 125 125 LYS HG2 H 1.301 0.020 1 1304 125 125 LYS HG3 H 1.301 0.020 1 1305 125 125 LYS HE2 H 3.052 0.020 1 1306 125 125 LYS HE3 H 3.052 0.020 1 1307 125 125 LYS C C 176.351 0.3 1 1308 125 125 LYS CA C 56.364 0.3 1 1309 125 125 LYS CB C 35.504 0.3 1 1310 125 125 LYS CG C 25.096 0.3 1 1311 125 125 LYS CE C 42.323 0.3 1 1312 125 125 LYS N N 115.316 0.3 1 1313 126 126 HIS H H 7.597 0.020 1 1314 126 126 HIS HA H 4.863 0.020 1 1315 126 126 HIS HB2 H 4.054 0.020 2 1316 126 126 HIS HB3 H 3.247 0.020 2 1317 126 126 HIS HD2 H 6.997 0.020 1 1318 126 126 HIS HE1 H 7.751 0.020 1 1319 126 126 HIS C C 174.784 0.3 1 1320 126 126 HIS CA C 54.923 0.3 1 1321 126 126 HIS CB C 31.691 0.3 1 1322 126 126 HIS CD2 C 120.071 0.3 1 1323 126 126 HIS CE1 C 138.445 0.3 1 1324 126 126 HIS N N 119.589 0.3 1 1325 127 127 VAL H H 8.523 0.020 1 1326 127 127 VAL HA H 4.307 0.020 1 1327 127 127 VAL HB H 2.060 0.020 1 1328 127 127 VAL HG1 H 1.184 0.020 2 1329 127 127 VAL HG2 H 1.057 0.020 2 1330 127 127 VAL C C 176.442 0.3 1 1331 127 127 VAL CA C 63.893 0.3 1 1332 127 127 VAL CB C 33.553 0.3 1 1333 127 127 VAL CG1 C 21.044 0.3 1 1334 127 127 VAL CG2 C 20.969 0.3 1 1335 127 127 VAL N N 125.009 0.3 1 1336 128 128 VAL H H 9.520 0.020 1 1337 128 128 VAL HA H 4.198 0.020 1 1338 128 128 VAL HB H 1.749 0.020 1 1339 128 128 VAL HG1 H 0.983 0.020 2 1340 128 128 VAL HG2 H 0.130 0.020 2 1341 128 128 VAL C C 176.113 0.3 1 1342 128 128 VAL CA C 63.086 0.3 1 1343 128 128 VAL CB C 31.612 0.3 1 1344 128 128 VAL CG1 C 21.915 0.3 1 1345 128 128 VAL CG2 C 19.980 0.3 1 1346 128 128 VAL N N 133.058 0.3 1 1347 129 129 PHE H H 8.138 0.020 1 1348 129 129 PHE HA H 5.308 0.020 1 1349 129 129 PHE HB2 H 3.184 0.020 2 1350 129 129 PHE HB3 H 2.555 0.020 2 1351 129 129 PHE HD1 H 6.571 0.020 1 1352 129 129 PHE HD2 H 6.571 0.020 1 1353 129 129 PHE C C 173.725 0.3 1 1354 129 129 PHE CA C 55.969 0.3 1 1355 129 129 PHE CB C 42.581 0.3 1 1356 129 129 PHE CD1 C 132.128 0.3 1 1357 129 129 PHE CD2 C 132.128 0.3 1 1358 129 129 PHE N N 117.892 0.3 1 1359 130 130 GLY H H 7.321 0.020 1 1360 130 130 GLY HA2 H 3.217 0.020 2 1361 130 130 GLY HA3 H 3.028 0.020 2 1362 130 130 GLY C C 171.591 0.3 1 1363 130 130 GLY CA C 46.489 0.3 1 1364 130 130 GLY N N 110.755 0.3 1 1365 131 131 LYS H H 8.380 0.020 1 1366 131 131 LYS HA H 5.259 0.020 1 1367 131 131 LYS HB2 H 1.858 0.020 1 1368 131 131 LYS HB3 H 1.858 0.020 1 1369 131 131 LYS HG2 H 1.559 0.020 2 1370 131 131 LYS HG3 H 1.078 0.020 2 1371 131 131 LYS HE2 H 3.014 0.020 1 1372 131 131 LYS HE3 H 3.014 0.020 1 1373 131 131 LYS C C 176.109 0.3 1 1374 131 131 LYS CA C 54.898 0.3 1 1375 131 131 LYS CB C 36.077 0.3 1 1376 131 131 LYS CG C 24.052 0.3 1 1377 131 131 LYS CE C 42.426 0.3 1 1378 131 131 LYS N N 115.263 0.3 1 1379 132 132 VAL H H 9.042 0.020 1 1380 132 132 VAL HA H 3.944 0.020 1 1381 132 132 VAL HB H 1.964 0.020 1 1382 132 132 VAL HG1 H 1.077 0.020 2 1383 132 132 VAL HG2 H 0.638 0.020 2 1384 132 132 VAL C C 176.489 0.3 1 1385 132 132 VAL CA C 64.069 0.3 1 1386 132 132 VAL CB C 32.709 0.3 1 1387 132 132 VAL CG1 C 23.050 0.3 1 1388 132 132 VAL CG2 C 21.427 0.3 1 1389 132 132 VAL N N 123.991 0.3 1 1390 133 133 LYS H H 9.482 0.020 1 1391 133 133 LYS HA H 4.483 0.020 1 1392 133 133 LYS HB2 H 1.764 0.020 2 1393 133 133 LYS HB3 H 1.681 0.020 2 1394 133 133 LYS HG2 H 1.450 0.020 2 1395 133 133 LYS HG3 H 1.365 0.020 2 1396 133 133 LYS HE2 H 2.996 0.020 1 1397 133 133 LYS HE3 H 2.996 0.020 1 1398 133 133 LYS C C 176.283 0.3 1 1399 133 133 LYS CA C 56.978 0.3 1 1400 133 133 LYS CB C 34.028 0.3 1 1401 133 133 LYS CG C 24.958 0.3 1 1402 133 133 LYS CE C 41.613 0.3 1 1403 133 133 LYS N N 131.517 0.3 1 1404 134 134 GLU H H 7.563 0.020 1 1405 134 134 GLU HA H 4.639 0.020 1 1406 134 134 GLU HB2 H 1.995 0.020 2 1407 134 134 GLU HB3 H 1.917 0.020 2 1408 134 134 GLU HG2 H 2.215 0.020 1 1409 134 134 GLU HG3 H 2.215 0.020 1 1410 134 134 GLU C C 175.925 0.3 1 1411 134 134 GLU CA C 55.235 0.3 1 1412 134 134 GLU CB C 32.971 0.3 1 1413 134 134 GLU CG C 36.776 0.3 1 1414 134 134 GLU N N 118.431 0.3 1 1415 135 135 GLY H H 8.699 0.020 1 1416 135 135 GLY HA2 H 4.798 0.020 2 1417 135 135 GLY HA3 H 4.010 0.020 2 1418 135 135 GLY C C 178.060 0.3 1 1419 135 135 GLY CA C 46.130 0.3 1 1420 135 135 GLY N N 107.980 0.3 1 1421 136 136 MET H H 8.854 0.020 1 1422 136 136 MET HA H 4.496 0.020 1 1423 136 136 MET HB2 H 2.069 0.020 1 1424 136 136 MET HB3 H 2.069 0.020 1 1425 136 136 MET HG2 H 2.803 0.020 2 1426 136 136 MET HG3 H 2.644 0.020 2 1427 136 136 MET HE H 2.038 0.020 1 1428 136 136 MET C C 178.649 0.3 1 1429 136 136 MET CA C 56.829 0.3 1 1430 136 136 MET CB C 30.215 0.3 1 1431 136 136 MET CG C 33.140 0.3 1 1432 136 136 MET CE C 17.310 0.3 1 1433 136 136 MET N N 122.582 0.3 1 1434 137 137 ASN H H 8.932 0.020 1 1435 137 137 ASN HA H 4.517 0.020 1 1436 137 137 ASN HB2 H 2.866 0.020 2 1437 137 137 ASN HB3 H 2.831 0.020 2 1438 137 137 ASN C C 178.441 0.3 1 1439 137 137 ASN CA C 55.483 0.3 1 1440 137 137 ASN CB C 36.062 0.3 1 1441 137 137 ASN N N 114.457 0.3 1 1442 138 138 ILE H H 7.664 0.020 1 1443 138 138 ILE HA H 3.805 0.020 1 1444 138 138 ILE HB H 2.501 0.020 1 1445 138 138 ILE HG12 H 1.315 0.020 1 1446 138 138 ILE HG13 H 1.315 0.020 1 1447 138 138 ILE HG2 H 0.679 0.020 1 1448 138 138 ILE HD1 H 0.706 0.020 1 1449 138 138 ILE C C 178.595 0.3 1 1450 138 138 ILE CA C 61.503 0.3 1 1451 138 138 ILE CB C 34.484 0.3 1 1452 138 138 ILE CG1 C 27.143 0.3 1 1453 138 138 ILE CG2 C 17.385 0.3 1 1454 138 138 ILE CD1 C 9.236 0.3 1 1455 138 138 ILE N N 124.238 0.3 1 1456 139 139 VAL H H 7.270 0.020 1 1457 139 139 VAL HA H 3.898 0.020 1 1458 139 139 VAL HB H 2.500 0.020 1 1459 139 139 VAL HG1 H 1.075 0.020 2 1460 139 139 VAL HG2 H 0.854 0.020 2 1461 139 139 VAL C C 179.051 0.3 1 1462 139 139 VAL CA C 66.128 0.3 1 1463 139 139 VAL CB C 31.195 0.3 1 1464 139 139 VAL CG1 C 23.112 0.3 1 1465 139 139 VAL CG2 C 22.261 0.3 1 1466 139 139 VAL N N 121.949 0.3 1 1467 140 140 GLU H H 8.314 0.020 1 1468 140 140 GLU HA H 4.101 0.020 1 1469 140 140 GLU HB2 H 2.138 0.020 1 1470 140 140 GLU HB3 H 2.138 0.020 1 1471 140 140 GLU HG2 H 2.458 0.020 2 1472 140 140 GLU HG3 H 2.244 0.020 2 1473 140 140 GLU C C 180.486 0.3 1 1474 140 140 GLU CA C 59.296 0.3 1 1475 140 140 GLU CB C 30.199 0.3 1 1476 140 140 GLU CG C 36.974 0.3 1 1477 140 140 GLU N N 117.343 0.3 1 1478 141 141 ALA H H 7.522 0.020 1 1479 141 141 ALA HA H 4.118 0.020 1 1480 141 141 ALA HB H 1.640 0.020 1 1481 141 141 ALA C C 181.524 0.3 1 1482 141 141 ALA CA C 54.771 0.3 1 1483 141 141 ALA CB C 18.204 0.3 1 1484 141 141 ALA N N 121.074 0.3 1 1485 142 142 MET H H 8.292 0.020 1 1486 142 142 MET HA H 3.990 0.020 1 1487 142 142 MET HB2 H 2.592 0.020 2 1488 142 142 MET HB3 H 1.997 0.020 2 1489 142 142 MET HG2 H 2.668 0.020 1 1490 142 142 MET HG3 H 2.668 0.020 1 1491 142 142 MET HE H 2.124 0.020 1 1492 142 142 MET C C 178.862 0.3 1 1493 142 142 MET CA C 59.721 0.3 1 1494 142 142 MET CB C 33.496 0.3 1 1495 142 142 MET CG C 31.334 0.3 1 1496 142 142 MET CE C 17.031 0.3 1 1497 142 142 MET N N 117.656 0.3 1 1498 143 143 GLU H H 7.853 0.020 1 1499 143 143 GLU HA H 3.772 0.020 1 1500 143 143 GLU HB2 H 2.222 0.020 2 1501 143 143 GLU HB3 H 2.008 0.020 2 1502 143 143 GLU HG2 H 2.414 0.020 2 1503 143 143 GLU HG3 H 2.095 0.020 2 1504 143 143 GLU C C 179.051 0.3 1 1505 143 143 GLU CA C 59.345 0.3 1 1506 143 143 GLU CB C 30.470 0.3 1 1507 143 143 GLU CG C 37.930 0.3 1 1508 143 143 GLU N N 116.365 0.3 1 1509 144 144 ARG H H 7.049 0.020 1 1510 144 144 ARG HA H 3.973 0.020 1 1511 144 144 ARG HB2 H 1.530 0.020 2 1512 144 144 ARG HB3 H 1.411 0.020 2 1513 144 144 ARG HG2 H 1.497 0.020 1 1514 144 144 ARG HG3 H 1.497 0.020 1 1515 144 144 ARG C C 178.222 0.3 1 1516 144 144 ARG CA C 57.720 0.3 1 1517 144 144 ARG CB C 29.523 0.3 1 1518 144 144 ARG CG C 27.450 0.3 1 1519 144 144 ARG N N 114.599 0.3 1 1520 145 145 PHE H H 7.643 0.020 1 1521 145 145 PHE HA H 4.851 0.020 1 1522 145 145 PHE HB2 H 3.587 0.020 2 1523 145 145 PHE HB3 H 2.958 0.020 2 1524 145 145 PHE HD1 H 7.358 0.020 1 1525 145 145 PHE HD2 H 7.358 0.020 1 1526 145 145 PHE HE1 H 7.210 0.020 1 1527 145 145 PHE HE2 H 7.210 0.020 1 1528 145 145 PHE HZ H 6.857 0.020 1 1529 145 145 PHE C C 176.868 0.3 1 1530 145 145 PHE CA C 57.717 0.3 1 1531 145 145 PHE CB C 38.998 0.3 1 1532 145 145 PHE CD1 C 131.819 0.3 1 1533 145 145 PHE CD2 C 131.819 0.3 1 1534 145 145 PHE CE1 C 131.469 0.3 1 1535 145 145 PHE CE2 C 131.469 0.3 1 1536 145 145 PHE CZ C 130.721 0.3 1 1537 145 145 PHE N N 115.374 0.3 1 1538 146 146 GLY H H 7.539 0.020 1 1539 146 146 GLY HA2 H 4.676 0.020 2 1540 146 146 GLY HA3 H 3.673 0.020 2 1541 146 146 GLY C C 172.946 0.3 1 1542 146 146 GLY CA C 44.156 0.3 1 1543 146 146 GLY N N 104.751 0.3 1 1544 147 147 SER H H 8.230 0.020 1 1545 147 147 SER HA H 4.813 0.020 1 1546 147 147 SER HB2 H 4.216 0.020 2 1547 147 147 SER HB3 H 4.120 0.020 2 1548 147 147 SER C C 176.384 0.3 1 1549 147 147 SER CA C 58.165 0.3 1 1550 147 147 SER CB C 65.804 0.3 1 1551 147 147 SER N N 110.088 0.3 1 1552 148 148 ARG H H 8.861 0.020 1 1553 148 148 ARG HA H 4.221 0.020 1 1554 148 148 ARG HB2 H 2.001 0.020 2 1555 148 148 ARG HB3 H 1.933 0.020 2 1556 148 148 ARG HG2 H 1.809 0.020 2 1557 148 148 ARG HG3 H 1.759 0.020 2 1558 148 148 ARG C C 177.709 0.3 1 1559 148 148 ARG CA C 59.810 0.3 1 1560 148 148 ARG CB C 29.896 0.3 1 1561 148 148 ARG CG C 27.121 0.3 1 1562 148 148 ARG N N 120.043 0.3 1 1563 149 149 ASN H H 7.891 0.020 1 1564 149 149 ASN HA H 4.901 0.020 1 1565 149 149 ASN HB2 H 3.227 0.020 2 1566 149 149 ASN HB3 H 2.855 0.020 2 1567 149 149 ASN C C 177.708 0.3 1 1568 149 149 ASN CA C 52.305 0.3 1 1569 149 149 ASN CB C 38.485 0.3 1 1570 149 149 ASN N N 111.650 0.3 1 1571 150 150 GLY H H 8.066 0.020 1 1572 150 150 GLY HA2 H 3.749 0.020 1 1573 150 150 GLY HA3 H 3.749 0.020 1 1574 150 150 GLY C C 174.368 0.3 1 1575 150 150 GLY CA C 45.257 0.3 1 1576 150 150 GLY N N 110.220 0.3 1 1577 151 151 LYS H H 7.550 0.020 1 1578 151 151 LYS HA H 4.466 0.020 1 1579 151 151 LYS HB2 H 1.894 0.020 1 1580 151 151 LYS HB3 H 1.894 0.020 1 1581 151 151 LYS HG2 H 1.528 0.020 1 1582 151 151 LYS HG3 H 1.528 0.020 1 1583 151 151 LYS HD2 H 1.825 0.020 1 1584 151 151 LYS HD3 H 1.825 0.020 1 1585 151 151 LYS HE2 H 3.109 0.020 1 1586 151 151 LYS HE3 H 3.109 0.020 1 1587 151 151 LYS C C 179.533 0.3 1 1588 151 151 LYS CA C 57.088 0.3 1 1589 151 151 LYS CB C 32.435 0.3 1 1590 151 151 LYS CG C 24.979 0.3 1 1591 151 151 LYS CD C 29.069 0.3 1 1592 151 151 LYS CE C 42.283 0.3 1 1593 151 151 LYS N N 119.873 0.3 1 1594 152 152 THR H H 8.867 0.020 1 1595 152 152 THR HA H 5.591 0.020 1 1596 152 152 THR HB H 4.697 0.020 1 1597 152 152 THR HG2 H 1.384 0.020 1 1598 152 152 THR C C 176.969 0.3 1 1599 152 152 THR CA C 60.097 0.3 1 1600 152 152 THR CB C 71.324 0.3 1 1601 152 152 THR CG2 C 22.239 0.3 1 1602 152 152 THR N N 116.729 0.3 1 1603 153 153 SER H H 9.440 0.020 1 1604 153 153 SER HA H 4.618 0.020 1 1605 153 153 SER HB2 H 3.865 0.020 1 1606 153 153 SER HB3 H 3.865 0.020 1 1607 153 153 SER C C 175.737 0.3 1 1608 153 153 SER CA C 57.964 0.3 1 1609 153 153 SER CB C 63.995 0.3 1 1610 153 153 SER N N 117.054 0.3 1 1611 154 154 LYS H H 7.553 0.020 1 1612 154 154 LYS HA H 4.594 0.020 1 1613 154 154 LYS HB2 H 1.457 0.020 2 1614 154 154 LYS HB3 H 0.882 0.020 2 1615 154 154 LYS HG2 H 1.490 0.020 2 1616 154 154 LYS HG3 H 1.223 0.020 2 1617 154 154 LYS HD2 H 1.464 0.020 1 1618 154 154 LYS HD3 H 1.464 0.020 1 1619 154 154 LYS HE2 H 2.942 0.020 1 1620 154 154 LYS HE3 H 2.942 0.020 1 1621 154 154 LYS C C 175.436 0.3 1 1622 154 154 LYS CA C 54.578 0.3 1 1623 154 154 LYS CB C 38.511 0.3 1 1624 154 154 LYS CG C 26.272 0.3 1 1625 154 154 LYS CD C 29.600 0.3 1 1626 154 154 LYS CE C 42.574 0.3 1 1627 154 154 LYS N N 119.317 0.3 1 1628 155 155 LYS H H 8.815 0.020 1 1629 155 155 LYS HA H 4.364 0.020 1 1630 155 155 LYS HB2 H 1.875 0.020 1 1631 155 155 LYS HB3 H 1.875 0.020 1 1632 155 155 LYS HD2 H 1.715 0.020 1 1633 155 155 LYS HD3 H 1.715 0.020 1 1634 155 155 LYS HE2 H 3.181 0.020 1 1635 155 155 LYS HE3 H 3.181 0.020 1 1636 155 155 LYS C C 176.946 0.3 1 1637 155 155 LYS CA C 56.420 0.3 1 1638 155 155 LYS CB C 32.136 0.3 1 1639 155 155 LYS CD C 29.239 0.3 1 1640 155 155 LYS CE C 42.385 0.3 1 1641 155 155 LYS N N 121.805 0.3 1 1642 156 156 ILE H H 9.620 0.020 1 1643 156 156 ILE HA H 5.148 0.020 1 1644 156 156 ILE HB H 2.374 0.020 1 1645 156 156 ILE HG12 H 1.507 0.020 1 1646 156 156 ILE HG13 H 1.507 0.020 1 1647 156 156 ILE HG2 H 0.969 0.020 1 1648 156 156 ILE HD1 H 0.681 0.020 1 1649 156 156 ILE C C 177.451 0.3 1 1650 156 156 ILE CA C 59.414 0.3 1 1651 156 156 ILE CB C 37.167 0.3 1 1652 156 156 ILE CG1 C 27.005 0.3 1 1653 156 156 ILE CG2 C 19.201 0.3 1 1654 156 156 ILE CD1 C 13.523 0.3 1 1655 156 156 ILE N N 134.292 0.3 1 1656 157 157 THR H H 9.268 0.020 1 1657 157 157 THR HA H 5.328 0.020 1 1658 157 157 THR HB H 3.943 0.020 1 1659 157 157 THR HG2 H 1.042 0.020 1 1660 157 157 THR C C 174.572 0.3 1 1661 157 157 THR CA C 59.540 0.3 1 1662 157 157 THR CB C 72.715 0.3 1 1663 157 157 THR CG2 C 22.723 0.3 1 1664 157 157 THR N N 117.142 0.3 1 1665 158 158 ILE H H 8.602 0.020 1 1666 158 158 ILE HA H 4.293 0.020 1 1667 158 158 ILE HB H 1.738 0.020 1 1668 158 158 ILE HG12 H 1.454 0.020 1 1669 158 158 ILE HG13 H 1.454 0.020 1 1670 158 158 ILE HG2 H 0.364 0.020 1 1671 158 158 ILE HD1 H -0.096 0.020 1 1672 158 158 ILE C C 175.631 0.3 1 1673 158 158 ILE CA C 60.992 0.3 1 1674 158 158 ILE CB C 36.826 0.3 1 1675 158 158 ILE CG1 C 28.544 0.3 1 1676 158 158 ILE CG2 C 18.452 0.3 1 1677 158 158 ILE CD1 C 13.940 0.3 1 1678 158 158 ILE N N 121.688 0.3 1 1679 159 159 ALA H H 8.898 0.020 1 1680 159 159 ALA HA H 4.175 0.020 1 1681 159 159 ALA HB H 1.353 0.020 1 1682 159 159 ALA C C 179.489 0.3 1 1683 159 159 ALA CA C 54.284 0.3 1 1684 159 159 ALA CB C 18.804 0.3 1 1685 159 159 ALA N N 132.534 0.3 1 1686 160 160 ASP H H 8.085 0.020 1 1687 160 160 ASP HA H 4.937 0.020 1 1688 160 160 ASP HB2 H 3.194 0.020 2 1689 160 160 ASP HB3 H 2.918 0.020 2 1690 160 160 ASP C C 173.920 0.3 1 1691 160 160 ASP CA C 52.873 0.3 1 1692 160 160 ASP CB C 43.620 0.3 1 1693 160 160 ASP N N 111.543 0.3 1 1694 161 161 CYS H H 8.617 0.020 1 1695 161 161 CYS HA H 4.610 0.020 1 1696 161 161 CYS HB2 H 3.264 0.020 2 1697 161 161 CYS HB3 H 3.248 0.020 2 1698 161 161 CYS C C 173.426 0.3 1 1699 161 161 CYS CA C 55.381 0.3 1 1700 161 161 CYS CB C 31.463 0.3 1 1701 161 161 CYS N N 116.110 0.3 1 1702 162 162 GLY H H 6.864 0.020 1 1703 162 162 GLY HA2 H 3.948 0.020 2 1704 162 162 GLY HA3 H 3.582 0.020 2 1705 162 162 GLY C C 171.116 0.3 1 1706 162 162 GLY CA C 45.507 0.3 1 1707 162 162 GLY N N 104.143 0.3 1 1708 163 163 GLN H H 9.089 0.020 1 1709 163 163 GLN HA H 5.150 0.020 1 1710 163 163 GLN HB2 H 1.832 0.020 1 1711 163 163 GLN HB3 H 1.832 0.020 1 1712 163 163 GLN C C 176.548 0.3 1 1713 163 163 GLN CA C 54.794 0.3 1 1714 163 163 GLN CB C 30.765 0.3 1 1715 163 163 GLN N N 121.011 0.3 1 1716 164 164 LEU H H 8.619 0.020 1 1717 164 164 LEU HA H 4.673 0.020 1 1718 164 164 LEU HB2 H 1.676 0.020 1 1719 164 164 LEU HB3 H 1.676 0.020 1 1720 164 164 LEU HG H 1.178 0.020 1 1721 164 164 LEU HD1 H 0.867 0.020 2 1722 164 164 LEU HD2 H 0.830 0.020 2 1723 164 164 LEU C C 177.108 0.3 1 1724 164 164 LEU CA C 54.792 0.3 1 1725 164 164 LEU CB C 43.446 0.3 1 1726 164 164 LEU CG C 27.009 0.3 1 1727 164 164 LEU CD1 C 25.391 0.3 1 1728 164 164 LEU CD2 C 23.486 0.3 1 1729 164 164 LEU N N 126.011 0.3 1 1730 165 165 GLU H H 8.159 0.020 1 1731 165 165 GLU N N 126.132 0.3 1 stop_ save_