data_25379 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment of PsbP an extrinsic protein from photosystem II of Spinacia oleracea ; _BMRB_accession_number 25379 _BMRB_flat_file_name bmr25379.str _Entry_type original _Submission_date 2014-12-04 _Accession_date 2014-12-04 _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 Walnerova Adriana . . 2 Chandra Kousik . . 3 Rathner Petr . . 4 Hornicakova Michaela . . 5 Schlagnitweit Judith . . 6 Mueller Norbert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1084 "13C chemical shifts" 749 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-04 original BMRB . stop_ _Original_release_date 2015-06-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignment of PsbP: an extrinsic protein from photosystem II of Spinacia oleracea ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Walnerova Adriana . . 2 Chandra Kousik . . 3 Rathner Petr . . 4 Hornicakova Michaela . . 5 Schlagnitweit Judith . . 6 Kohoutova Jaroslava . . 7 Ettrich Ruediger . . 8 Mueller Norbert . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _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 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PsbP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PsbP $PsbP 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_PsbP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PsbP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; GSHMAYGEAANVFGKPKKNT EFMPYNGDGFKLLVPSKWNP SKEKEFPGQVLRYEDNFDAT SNLSVLVQPTDKKSITDFGS PEDFLSQVDYLLGKQAYFGK TDSEGGFDSGVVASANVLES STPVVDGKQYYSITVLTRTA DGDEGGKHQVIAATVKDGKL YICKAQAGDKRWFKGAKKFV ESATSSFSVA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 ALA 6 6 TYR 7 7 GLY 8 8 GLU 9 9 ALA 10 10 ALA 11 11 ASN 12 12 VAL 13 13 PHE 14 14 GLY 15 15 LYS 16 16 PRO 17 17 LYS 18 18 LYS 19 19 ASN 20 20 THR 21 21 GLU 22 22 PHE 23 23 MET 24 24 PRO 25 25 TYR 26 26 ASN 27 27 GLY 28 28 ASP 29 29 GLY 30 30 PHE 31 31 LYS 32 32 LEU 33 33 LEU 34 34 VAL 35 35 PRO 36 36 SER 37 37 LYS 38 38 TRP 39 39 ASN 40 40 PRO 41 41 SER 42 42 LYS 43 43 GLU 44 44 LYS 45 45 GLU 46 46 PHE 47 47 PRO 48 48 GLY 49 49 GLN 50 50 VAL 51 51 LEU 52 52 ARG 53 53 TYR 54 54 GLU 55 55 ASP 56 56 ASN 57 57 PHE 58 58 ASP 59 59 ALA 60 60 THR 61 61 SER 62 62 ASN 63 63 LEU 64 64 SER 65 65 VAL 66 66 LEU 67 67 VAL 68 68 GLN 69 69 PRO 70 70 THR 71 71 ASP 72 72 LYS 73 73 LYS 74 74 SER 75 75 ILE 76 76 THR 77 77 ASP 78 78 PHE 79 79 GLY 80 80 SER 81 81 PRO 82 82 GLU 83 83 ASP 84 84 PHE 85 85 LEU 86 86 SER 87 87 GLN 88 88 VAL 89 89 ASP 90 90 TYR 91 91 LEU 92 92 LEU 93 93 GLY 94 94 LYS 95 95 GLN 96 96 ALA 97 97 TYR 98 98 PHE 99 99 GLY 100 100 LYS 101 101 THR 102 102 ASP 103 103 SER 104 104 GLU 105 105 GLY 106 106 GLY 107 107 PHE 108 108 ASP 109 109 SER 110 110 GLY 111 111 VAL 112 112 VAL 113 113 ALA 114 114 SER 115 115 ALA 116 116 ASN 117 117 VAL 118 118 LEU 119 119 GLU 120 120 SER 121 121 SER 122 122 THR 123 123 PRO 124 124 VAL 125 125 VAL 126 126 ASP 127 127 GLY 128 128 LYS 129 129 GLN 130 130 TYR 131 131 TYR 132 132 SER 133 133 ILE 134 134 THR 135 135 VAL 136 136 LEU 137 137 THR 138 138 ARG 139 139 THR 140 140 ALA 141 141 ASP 142 142 GLY 143 143 ASP 144 144 GLU 145 145 GLY 146 146 GLY 147 147 LYS 148 148 HIS 149 149 GLN 150 150 VAL 151 151 ILE 152 152 ALA 153 153 ALA 154 154 THR 155 155 VAL 156 156 LYS 157 157 ASP 158 158 GLY 159 159 LYS 160 160 LEU 161 161 TYR 162 162 ILE 163 163 CYS 164 164 LYS 165 165 ALA 166 166 GLN 167 167 ALA 168 168 GLY 169 169 ASP 170 170 LYS 171 171 ARG 172 172 TRP 173 173 PHE 174 174 LYS 175 175 GLY 176 176 ALA 177 177 LYS 178 178 LYS 179 179 PHE 180 180 VAL 181 181 GLU 182 182 SER 183 183 ALA 184 184 THR 185 185 SER 186 186 SER 187 187 PHE 188 188 SER 189 189 VAL 190 190 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 PDB 2VU4 "Structure Of Psbp Protein From Spinacia Oleracea At 1.98 A Resolution" 100.00 190 100.00 100.00 9.20e-135 PDB 4RTI "The Crystal Structure Of Psbp From Spinacia Oleracea" 97.89 186 100.00 100.00 6.20e-131 EMBL CAA29055 "23 kDa OEC protein [Spinacia oleracea]" 97.89 267 100.00 100.00 1.08e-131 GB KNA13956 "hypothetical protein SOVF_111890 [Spinacia oleracea]" 97.89 267 100.00 100.00 1.08e-131 PRF 1307179A "luminal protein 23kD" 97.89 267 100.00 100.00 1.08e-131 SP P12302 "RecName: Full=Oxygen-evolving enhancer protein 2, chloroplastic; Short=OEE2; AltName: Full=23 kDa subunit of oxygen evolving sy" 97.89 267 100.00 100.00 1.08e-131 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PsbP spinach 3562 Eukaryota Viridiplanta Spinacia oleracea 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 $PsbP 'recombinant technology' . Escherichia coli . JR3133 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 $PsbP 0.5 mM '[U-13C; U-15N]' 'Bis Tris' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 50 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' DSS 40 uM '[U-99% 2H]' 'Complete mini, EDTA-free' 12 tablet/100mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuethrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVIII _Field_strength 700 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_1D_1H_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _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' 0.5 . M pH 6 . pH pressure 1 . atm temperature 313 . 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_ _Experiment_label '1D 1H' 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 PsbP _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 2 2 SER H H 8.023 0.050 1 2 2 2 SER HA H 3.894 0.050 1 3 2 2 SER HB2 H 3.446 0.050 1 4 2 2 SER HB3 H 3.379 0.050 1 5 2 2 SER C C 170.884 0.400 1 6 2 2 SER CA C 52.943 0.400 1 7 2 2 SER CB C 58.562 0.400 1 8 2 2 SER N N 115.878 0.500 1 9 3 3 HIS H H 8.083 0.050 1 10 3 3 HIS HA H 4.183 0.050 1 11 3 3 HIS HB2 H 2.67 0.050 1 12 3 3 HIS HB3 H 2.755 0.050 1 13 3 3 HIS HE1 H 7.816 0.050 1 14 3 3 HIS C C 170.248 0.400 1 15 3 3 HIS CA C 51.043 0.400 1 16 3 3 HIS CB C 24.326 0.400 1 17 3 3 HIS CE1 C 132.086 0.400 1 18 3 3 HIS N N 120.662 0.500 1 19 4 4 MET H H 7.821 0.050 1 20 4 4 MET HA H 3.929 0.050 1 21 4 4 MET HB2 H 1.483 0.050 1 22 4 4 MET HB3 H 1.426 0.050 1 23 4 4 MET HG2 H 1.98 0.050 1 24 4 4 MET HG3 H 2.006 0.050 1 25 4 4 MET HE H 1.311 0.050 1 26 4 4 MET C C 170.139 0.400 1 27 4 4 MET CA C 50.099 0.400 1 28 4 4 MET CB C 27.72 0.400 1 29 4 4 MET CG C 26.728 0.400 1 30 4 4 MET CE C 14.089 0.400 1 31 4 4 MET N N 121.899 0.500 1 32 5 5 ALA H H 7.81 0.050 1 33 5 5 ALA HA H 3.835 0.050 1 34 5 5 ALA HB H 0.845 0.050 1 35 5 5 ALA C C 171.808 0.400 1 36 5 5 ALA CA C 47.148 0.400 1 37 5 5 ALA CB C 14.276 0.400 1 38 5 5 ALA N N 125.475 0.500 1 39 6 6 TYR H H 7.617 0.050 1 40 6 6 TYR HA H 4.071 0.050 1 41 6 6 TYR HB2 H 2.594 0.050 1 42 6 6 TYR HB3 H 2.503 0.050 1 43 6 6 TYR HD1 H 6.656 0.050 1 44 6 6 TYR HD2 H 6.656 0.050 1 45 6 6 TYR HE1 H 6.355 0.050 1 46 6 6 TYR C C 171.11 0.400 1 47 6 6 TYR CA C 52.552 0.400 1 48 6 6 TYR CB C 33.52 0.400 1 49 6 6 TYR CD1 C 128.059 0.400 1 50 6 6 TYR CE1 C 113.104 0.400 1 51 6 6 TYR N N 119.32 0.500 1 52 7 7 GLY H H 7.78 0.050 1 53 7 7 GLY HA2 H 3.463 0.050 1 54 7 7 GLY HA3 H 3.419 0.050 1 55 7 7 GLY C C 168.914 0.400 1 56 7 7 GLY CA C 40.163 0.400 1 57 7 7 GLY N N 110.198 0.500 1 58 8 8 GLU H H 7.699 0.050 1 59 8 8 GLU HA H 3.802 0.050 1 60 8 8 GLU HB2 H 1.605 0.050 1 61 8 8 GLU HB3 H 1.499 0.050 1 62 8 8 GLU HG2 H 1.823 0.050 1 63 8 8 GLU HG3 H 1.807 0.050 1 64 8 8 GLU C C 171.277 0.400 1 65 8 8 GLU CA C 51.512 0.400 1 66 8 8 GLU CB C 24.971 0.400 1 67 8 8 GLU CG C 30.89 0.400 1 68 8 8 GLU N N 120.732 0.500 1 69 9 9 ALA H H 7.8 0.050 1 70 9 9 ALA HA H 3.82 0.050 1 71 9 9 ALA HB H 0.847 0.050 1 72 9 9 ALA C C 172.235 0.400 1 73 9 9 ALA CA C 47.35 0.400 1 74 9 9 ALA CB C 13.893 0.400 1 75 9 9 ALA N N 124.321 0.500 1 76 10 10 ALA H H 7.61 0.050 1 77 10 10 ALA HA H 3.82 0.050 1 78 10 10 ALA HB H 0.898 0.050 1 79 10 10 ALA C C 172.282 0.400 1 80 10 10 ALA CA C 47.505 0.400 1 81 10 10 ALA CB C 13.98 0.400 1 82 10 10 ALA N N 121.936 0.500 1 83 11 11 ASN H H 7.712 0.050 1 84 11 11 ASN HA H 4.214 0.050 1 85 11 11 ASN HB2 H 2.372 0.050 1 86 11 11 ASN HB3 H 2.332 0.050 1 87 11 11 ASN HD21 H 7.119 0.050 1 88 11 11 ASN HD22 H 6.449 0.050 1 89 11 11 ASN C C 169.196 0.400 1 90 11 11 ASN CA C 48.009 0.400 1 91 11 11 ASN CB C 33.464 0.400 1 92 11 11 ASN N N 117.165 0.500 1 93 11 11 ASN ND2 N 112.425 0.500 1 94 12 12 VAL H H 7.379 0.050 1 95 12 12 VAL HA H 3.571 0.050 1 96 12 12 VAL HB H 1.523 0.050 1 97 12 12 VAL HG1 H 0.292 0.050 1 98 12 12 VAL HG2 H 0.301 0.050 1 99 12 12 VAL C C 170.683 0.400 1 100 12 12 VAL CA C 57.317 0.400 1 101 12 12 VAL CB C 27.338 0.400 1 102 12 12 VAL CG1 C 15.744 0.400 1 103 12 12 VAL CG2 C 15.035 0.400 1 104 12 12 VAL N N 119.103 0.500 1 105 13 13 PHE H H 7.692 0.050 1 106 13 13 PHE HA H 4.13 0.050 1 107 13 13 PHE HB2 H 2.745 0.050 1 108 13 13 PHE HB3 H 2.542 0.050 1 109 13 13 PHE HD1 H 6.733 0.050 1 110 13 13 PHE HD2 H 6.733 0.050 1 111 13 13 PHE C C 171.028 0.400 1 112 13 13 PHE CA C 52.645 0.400 1 113 13 13 PHE CB C 34.003 0.400 1 114 13 13 PHE N N 122.224 0.500 1 115 14 14 GLY H H 7.656 0.050 1 116 14 14 GLY HA2 H 3.42 0.050 1 117 14 14 GLY HA3 H 3.365 0.050 1 118 14 14 GLY C C 168.285 0.400 1 119 14 14 GLY CA C 39.993 0.400 1 120 14 14 GLY N N 109.775 0.500 1 121 15 15 LYS H H 7.474 0.050 1 122 15 15 LYS HA H 3.983 0.050 1 123 15 15 LYS HB2 H 1.26 0.050 1 124 15 15 LYS HB3 H 1.353 0.050 1 125 15 15 LYS HG2 H 0.977 0.050 1 126 15 15 LYS HG3 H 0.977 0.050 1 127 15 15 LYS HD2 H 1.224 0.050 1 128 15 15 LYS HD3 H 1.224 0.050 1 129 15 15 LYS HE2 H 2.561 0.050 1 130 15 15 LYS HE3 H 2.561 0.050 1 131 15 15 LYS CA C 48.675 0.400 1 132 15 15 LYS CB C 27.424 0.400 1 133 15 15 LYS CG C 19.449 0.400 1 134 15 15 LYS CD C 23.898 0.400 1 135 15 15 LYS CE C 37.03 0.400 1 136 15 15 LYS N N 121.499 0.500 1 137 16 16 PRO HA H 3.953 0.050 1 138 16 16 PRO HB2 H 1.417 0.050 1 139 16 16 PRO HB3 H 1.827 0.050 1 140 16 16 PRO HG2 H 1.469 0.050 1 141 16 16 PRO HG3 H 1.405 0.050 1 142 16 16 PRO HD2 H 3.322 0.050 1 143 16 16 PRO HD3 H 3.158 0.050 1 144 16 16 PRO C C 171.589 0.400 1 145 16 16 PRO CA C 58.041 0.400 1 146 16 16 PRO CB C 27.016 0.400 1 147 16 16 PRO CG C 22.282 0.400 1 148 16 16 PRO CD C 45.193 0.400 1 149 17 17 LYS H H 7.901 0.050 1 150 17 17 LYS HA H 3.859 0.050 1 151 17 17 LYS HB2 H 1.356 0.050 1 152 17 17 LYS HB3 H 1.276 0.050 1 153 17 17 LYS HG2 H 0.974 0.050 1 154 17 17 LYS HG3 H 0.951 0.050 1 155 17 17 LYS HD2 H 1.231 0.050 1 156 17 17 LYS HD3 H 1.212 0.050 1 157 17 17 LYS HE2 H 2.55 0.050 1 158 17 17 LYS HE3 H 2.55 0.050 1 159 17 17 LYS C C 171.306 0.400 1 160 17 17 LYS CA C 51.23 0.400 1 161 17 17 LYS CB C 27.887 0.400 1 162 17 17 LYS CG C 19.623 0.400 1 163 17 17 LYS CD C 23.924 0.400 1 164 17 17 LYS CE C 36.926 0.400 1 165 17 17 LYS N N 121.821 0.500 1 166 18 18 LYS H H 7.825 0.050 1 167 18 18 LYS HA H 3.967 0.050 1 168 18 18 LYS HB2 H 1.362 0.050 1 169 18 18 LYS HB3 H 1.277 0.050 1 170 18 18 LYS HG2 H 0.98 0.050 1 171 18 18 LYS HG3 H 0.942 0.050 1 172 18 18 LYS HD2 H 1.228 0.050 1 173 18 18 LYS HD3 H 1.206 0.050 1 174 18 18 LYS HE2 H 2.556 0.050 1 175 18 18 LYS HE3 H 2.554 0.050 1 176 18 18 LYS C C 170.851 0.400 1 177 18 18 LYS CA C 51.047 0.400 1 178 18 18 LYS CB C 28.045 0.400 1 179 18 18 LYS CG C 19.453 0.400 1 180 18 18 LYS CD C 23.814 0.400 1 181 18 18 LYS CE C 37 0.400 1 182 18 18 LYS N N 122.069 0.500 1 183 19 19 ASN H H 8.079 0.050 1 184 19 19 ASN HA H 4.367 0.050 1 185 19 19 ASN HB2 H 2.455 0.050 1 186 19 19 ASN HB3 H 2.289 0.050 1 187 19 19 ASN HD21 H 7.075 0.050 1 188 19 19 ASN HD22 H 6.404 0.050 1 189 19 19 ASN C C 170.228 0.400 1 190 19 19 ASN CA C 48.129 0.400 1 191 19 19 ASN CB C 33.59 0.400 1 192 19 19 ASN N N 120.431 0.500 1 193 19 19 ASN ND2 N 112.383 0.500 1 194 20 20 THR H H 7.714 0.050 1 195 20 20 THR HA H 3.988 0.050 1 196 20 20 THR HB H 3.949 0.050 1 197 20 20 THR HG2 H 0.705 0.050 1 198 20 20 THR C C 169.987 0.400 1 199 20 20 THR CA C 56.589 0.400 1 200 20 20 THR CB C 64.304 0.400 1 201 20 20 THR CG2 C 16.567 0.400 1 202 20 20 THR N N 113.704 0.500 1 203 21 21 GLU H H 8.175 0.050 1 204 21 21 GLU HA H 3.695 0.050 1 205 21 21 GLU HB2 H 1.406 0.050 1 206 21 21 GLU HB3 H 1.374 0.050 1 207 21 21 GLU HG2 H 1.582 0.050 1 208 21 21 GLU HG3 H 1.745 0.050 1 209 21 21 GLU C C 170.422 0.400 1 210 21 21 GLU CA C 52.614 0.400 1 211 21 21 GLU CB C 25.652 0.400 1 212 21 21 GLU CG C 31.814 0.400 1 213 21 21 GLU N N 122.313 0.500 1 214 22 22 PHE H H 7.416 0.050 1 215 22 22 PHE HA H 4.539 0.050 1 216 22 22 PHE HB2 H 2.25 0.050 1 217 22 22 PHE HB3 H 2.21 0.050 1 218 22 22 PHE HD1 H 6.377 0.050 1 219 22 22 PHE HD2 H 6.377 0.050 1 220 22 22 PHE HE2 H 6.38 0.050 1 221 22 22 PHE C C 169.001 0.400 1 222 22 22 PHE CA C 51.302 0.400 1 223 22 22 PHE CB C 38.756 0.400 1 224 22 22 PHE CE2 C 126.816 0.400 1 225 22 22 PHE N N 115.941 0.500 1 226 23 23 MET H H 8.995 0.050 1 227 23 23 MET HA H 4.634 0.050 1 228 23 23 MET HB2 H 1.521 0.050 1 229 23 23 MET HB3 H 1.487 0.050 1 230 23 23 MET HG2 H 2.075 0.050 1 231 23 23 MET HG3 H 2.029 0.050 1 232 23 23 MET HE H 0.979 0.050 1 233 23 23 MET CA C 46.533 0.400 1 234 23 23 MET CB C 29.615 0.400 1 235 23 23 MET CG C 26.131 0.400 1 236 23 23 MET N N 120.772 0.500 1 237 24 24 PRO HA H 4.252 0.050 1 238 24 24 PRO HB2 H 1.838 0.050 1 239 24 24 PRO HB3 H 1.424 0.050 1 240 24 24 PRO HG2 H 1.828 0.050 1 241 24 24 PRO HG3 H 1.703 0.050 1 242 24 24 PRO HD2 H 3.24 0.050 1 243 24 24 PRO HD3 H 3.24 0.050 1 244 24 24 PRO C C 170.503 0.400 1 245 24 24 PRO CA C 57.842 0.400 1 246 24 24 PRO CB C 26.901 0.400 1 247 24 24 PRO CG C 22.254 0.400 1 248 24 24 PRO CD C 45.224 0.400 1 249 25 25 TYR H H 8.775 0.050 1 250 25 25 TYR HA H 3.999 0.050 1 251 25 25 TYR HB2 H 2.174 0.050 1 252 25 25 TYR HB3 H 2.163 0.050 1 253 25 25 TYR HD1 H 6.509 0.050 1 254 25 25 TYR HD2 H 6.509 0.050 1 255 25 25 TYR C C 168.523 0.400 1 256 25 25 TYR CA C 53.122 0.400 1 257 25 25 TYR CB C 36.049 0.400 1 258 25 25 TYR N N 126.042 0.500 1 259 26 26 ASN H H 7.397 0.050 1 260 26 26 ASN HA H 4.392 0.050 1 261 26 26 ASN HB2 H 2.111 0.050 1 262 26 26 ASN HB3 H 2.011 0.050 1 263 26 26 ASN HD21 H 6.91 0.050 1 264 26 26 ASN HD22 H 6.21 0.050 1 265 26 26 ASN C C 168.159 0.400 1 266 26 26 ASN CA C 47.227 0.400 1 267 26 26 ASN CB C 34.596 0.400 1 268 26 26 ASN N N 126.66 0.500 1 269 26 26 ASN ND2 N 112.494 0.500 1 270 27 27 GLY H H 7.438 0.050 1 271 27 27 GLY HA2 H 1.925 0.050 1 272 27 27 GLY HA3 H 3.733 0.050 1 273 27 27 GLY C C 167.015 0.400 1 274 27 27 GLY CA C 38.032 0.400 1 275 27 27 GLY N N 112.309 0.500 1 276 28 28 ASP H H 7.534 0.050 1 277 28 28 ASP HA H 4.208 0.050 1 278 28 28 ASP HB2 H 2.543 0.050 1 279 28 28 ASP HB3 H 2.207 0.050 1 280 28 28 ASP C C 170.288 0.400 1 281 28 28 ASP CA C 48.287 0.400 1 282 28 28 ASP CB C 33.981 0.400 1 283 28 28 ASP N N 119.345 0.500 1 284 29 29 GLY H H 7.796 0.050 1 285 29 29 GLY HA2 H 4.074 0.050 1 286 29 29 GLY HA3 H 3.279 0.050 1 287 29 29 GLY C C 168.149 0.400 1 288 29 29 GLY CA C 40.095 0.400 1 289 29 29 GLY N N 112.572 0.500 1 290 30 30 PHE H H 6.379 0.050 1 291 30 30 PHE HA H 4.918 0.050 1 292 30 30 PHE HB2 H 2.389 0.050 1 293 30 30 PHE HB3 H 2.365 0.050 1 294 30 30 PHE HD1 H 6.722 0.050 1 295 30 30 PHE HD2 H 6.722 0.050 1 296 30 30 PHE HE1 H 6.722 0.050 1 297 30 30 PHE HE2 H 6.722 0.050 1 298 30 30 PHE HZ H 6.722 0.050 1 299 30 30 PHE C C 166.58 0.400 1 300 30 30 PHE CA C 50.321 0.400 1 301 30 30 PHE CB C 36.74 0.400 1 302 30 30 PHE N N 112.395 0.500 1 303 31 31 LYS H H 8.545 0.050 1 304 31 31 LYS HA H 4.844 0.050 1 305 31 31 LYS HB2 H 1.426 0.050 1 306 31 31 LYS HB3 H 1.409 0.050 1 307 31 31 LYS HG2 H 0.812 0.050 1 308 31 31 LYS HG3 H 0.778 0.050 1 309 31 31 LYS HD2 H 1.054 0.050 1 310 31 31 LYS HD3 H 1.011 0.050 1 311 31 31 LYS HE2 H 2.373 0.050 1 312 31 31 LYS HE3 H 2.379 0.050 1 313 31 31 LYS C C 168.144 0.400 1 314 31 31 LYS CA C 49.818 0.400 1 315 31 31 LYS CB C 31.187 0.400 1 316 31 31 LYS CG C 18.839 0.400 1 317 31 31 LYS CD C 24.304 0.400 1 318 31 31 LYS CE C 36.971 0.400 1 319 31 31 LYS N N 119.018 0.500 1 320 32 32 LEU H H 8.137 0.050 1 321 32 32 LEU HA H 4.221 0.050 1 322 32 32 LEU HB2 H 1.938 0.050 1 323 32 32 LEU HB3 H 1.651 0.050 1 324 32 32 LEU HG H 1.098 0.050 1 325 32 32 LEU HD1 H 0.413 0.050 1 326 32 32 LEU HD2 H 0.54 0.050 1 327 32 32 LEU C C 168.786 0.400 1 328 32 32 LEU CA C 51.247 0.400 1 329 32 32 LEU CB C 37.778 0.400 1 330 32 32 LEU CG C 21.733 0.400 1 331 32 32 LEU CD1 C 20.417 0.400 1 332 32 32 LEU CD2 C 22.255 0.400 1 333 32 32 LEU N N 115.905 0.500 1 334 33 33 LEU H H 8.412 0.050 1 335 33 33 LEU HA H 4.252 0.050 1 336 33 33 LEU HB2 H 0.918 0.050 1 337 33 33 LEU HB3 H 0.385 0.050 1 338 33 33 LEU HG H 0.351 0.050 1 339 33 33 LEU HD1 H -0.04 0.050 1 340 33 33 LEU HD2 H 0.123 0.050 1 341 33 33 LEU C C 169.478 0.400 1 342 33 33 LEU CA C 48.54 0.400 1 343 33 33 LEU CB C 37.902 0.400 1 344 33 33 LEU CG C 22.99 0.400 1 345 33 33 LEU CD1 C 19.802 0.400 1 346 33 33 LEU CD2 C 16.996 0.400 1 347 33 33 LEU N N 120.246 0.500 1 348 34 34 VAL H H 8.03 0.050 1 349 34 34 VAL HA H 3.914 0.050 1 350 34 34 VAL HB H 0.995 0.050 1 351 34 34 VAL HG1 H -0.31 0.050 1 352 34 34 VAL HG2 H 0.01 0.050 1 353 34 34 VAL CA C 52.13 0.400 1 354 34 34 VAL CB C 28.833 0.400 1 355 34 34 VAL CG1 C 14.813 0.400 1 356 34 34 VAL CG2 C 14.966 0.400 1 357 34 34 VAL N N 115.842 0.500 1 358 35 35 PRO HA H 4.155 0.050 1 359 35 35 PRO HB2 H 1.902 0.050 1 360 35 35 PRO HB3 H 1.677 0.050 1 361 35 35 PRO HG2 H 1.501 0.050 1 362 35 35 PRO HG3 H 1.361 0.050 1 363 35 35 PRO HD2 H 3.12 0.050 1 364 35 35 PRO HD3 H 3.038 0.050 1 365 35 35 PRO C C 169.224 0.400 1 366 35 35 PRO CA C 57.511 0.400 1 367 35 35 PRO CB C 29.183 0.400 1 368 35 35 PRO CG C 19.436 0.400 1 369 35 35 PRO CD C 44.901 0.400 1 370 36 36 SER H H 7.652 0.050 1 371 36 36 SER HA H 3.559 0.050 1 372 36 36 SER HB2 H 3.417 0.050 1 373 36 36 SER HB3 H 3.07 0.050 1 374 36 36 SER C C 170.185 0.400 1 375 36 36 SER CA C 56.026 0.400 1 376 36 36 SER CB C 58.205 0.400 1 377 36 36 SER N N 108.819 0.500 1 378 37 37 LYS H H 7.608 0.050 1 379 37 37 LYS HA H 3.983 0.050 1 380 37 37 LYS HB2 H 1.61 0.050 1 381 37 37 LYS HB3 H 1.615 0.050 1 382 37 37 LYS HG2 H 1.027 0.050 1 383 37 37 LYS HG3 H 0.962 0.050 1 384 37 37 LYS HD2 H 1.24 0.050 1 385 37 37 LYS HD3 H 1.286 0.050 1 386 37 37 LYS HE2 H 2.608 0.050 1 387 37 37 LYS HE3 H 2.604 0.050 1 388 37 37 LYS C C 171.718 0.400 1 389 37 37 LYS CA C 50.688 0.400 1 390 37 37 LYS CB C 26.597 0.400 1 391 37 37 LYS CG C 19.861 0.400 1 392 37 37 LYS CD C 23.601 0.400 1 393 37 37 LYS CE C 36.963 0.400 1 394 37 37 LYS N N 116.9 0.500 1 395 38 38 TRP H H 7.127 0.050 1 396 38 38 TRP HA H 4.556 0.050 1 397 38 38 TRP HB2 H 2.766 0.050 1 398 38 38 TRP HB3 H 2.69 0.050 1 399 38 38 TRP HD1 H 6.619 0.050 1 400 38 38 TRP HE1 H 9.495 0.050 1 401 38 38 TRP HE3 H 6.619 0.050 1 402 38 38 TRP HZ2 H 7.014 0.050 1 403 38 38 TRP HZ3 H 6.398 0.050 1 404 38 38 TRP HH2 H 6.392 0.050 1 405 38 38 TRP C C 169.302 0.400 1 406 38 38 TRP CA C 51.263 0.400 1 407 38 38 TRP CB C 24.507 0.400 1 408 38 38 TRP CD1 C 121.383 0.400 1 409 38 38 TRP CE3 C 118.507 0.400 1 410 38 38 TRP CZ2 C 108.994 0.400 1 411 38 38 TRP CZ3 C 118.96 0.400 1 412 38 38 TRP CH2 C 119.771 0.400 1 413 38 38 TRP N N 120.771 0.500 1 414 38 38 TRP NE1 N 129.078 0.500 1 415 39 39 ASN H H 8.644 0.050 1 416 39 39 ASN HA H 4.999 0.050 1 417 39 39 ASN HB2 H 2.306 0.050 1 418 39 39 ASN HB3 H 2.265 0.050 1 419 39 39 ASN HD21 H 7.246 0.050 1 420 39 39 ASN HD22 H 6.535 0.050 1 421 39 39 ASN CA C 45.329 0.400 1 422 39 39 ASN CB C 35.503 0.400 1 423 39 39 ASN CG C 171.152 0.400 1 424 39 39 ASN N N 118.307 0.500 1 425 39 39 ASN ND2 N 113.233 0.500 1 426 40 40 PRO HA H 4.057 0.050 1 427 40 40 PRO HB2 H 1.542 0.050 1 428 40 40 PRO HB3 H 1.307 0.050 1 429 40 40 PRO HG2 H 1.209 0.050 1 430 40 40 PRO HG3 H 1.078 0.050 1 431 40 40 PRO HD2 H 2.842 0.050 1 432 40 40 PRO HD3 H 2.818 0.050 1 433 40 40 PRO C C 170.781 0.400 1 434 40 40 PRO CA C 58.267 0.400 1 435 40 40 PRO CB C 27.006 0.400 1 436 40 40 PRO CG C 21.865 0.400 1 437 40 40 PRO CD C 45.568 0.400 1 438 41 41 SER H H 7.738 0.050 1 439 41 41 SER HA H 4.14 0.050 1 440 41 41 SER HB2 H 3.056 0.050 1 441 41 41 SER HB3 H 2.782 0.050 1 442 41 41 SER C C 169.604 0.400 1 443 41 41 SER CA C 50.753 0.400 1 444 41 41 SER CB C 59.21 0.400 1 445 41 41 SER N N 116.177 0.500 1 446 42 42 LYS H H 8.398 0.050 1 447 42 42 LYS HA H 3.87 0.050 1 448 42 42 LYS HB2 H 1.478 0.050 1 449 42 42 LYS HB3 H 1.469 0.050 1 450 42 42 LYS HG2 H 0.97 0.050 1 451 42 42 LYS HG3 H 0.953 0.050 1 452 42 42 LYS HD2 H 1.23 0.050 1 453 42 42 LYS HD3 H 1.205 0.050 1 454 42 42 LYS HE2 H 2.577 0.050 1 455 42 42 LYS HE3 H 2.546 0.050 1 456 42 42 LYS C C 171.162 0.400 1 457 42 42 LYS CA C 51.045 0.400 1 458 42 42 LYS CB C 27.337 0.400 1 459 42 42 LYS CG C 19.387 0.400 1 460 42 42 LYS CD C 23.834 0.400 1 461 42 42 LYS CE C 37.016 0.400 1 462 42 42 LYS N N 125.721 0.500 1 463 43 43 GLU H H 7.42 0.050 1 464 43 43 GLU HA H 3.613 0.050 1 465 43 43 GLU HB2 H 1.313 0.050 1 466 43 43 GLU HB3 H 1.269 0.050 1 467 43 43 GLU HG2 H 1.66 0.050 1 468 43 43 GLU HG3 H 1.58 0.050 1 469 43 43 GLU C C 169.777 0.400 1 470 43 43 GLU CA C 51.269 0.400 1 471 43 43 GLU CB C 24.654 0.400 1 472 43 43 GLU CG C 30.171 0.400 1 473 43 43 GLU N N 121.011 0.500 1 474 44 44 LYS H H 8.028 0.050 1 475 44 44 LYS HA H 3.816 0.050 1 476 44 44 LYS HB2 H 1.357 0.050 1 477 44 44 LYS HB3 H 1.282 0.050 1 478 44 44 LYS HG2 H 0.789 0.050 1 479 44 44 LYS HG3 H 0.782 0.050 1 480 44 44 LYS HD2 H 1.047 0.050 1 481 44 44 LYS HD3 H 1.031 0.050 1 482 44 44 LYS HE2 H 2.608 0.050 1 483 44 44 LYS HE3 H 2.603 0.050 1 484 44 44 LYS C C 169.995 0.400 1 485 44 44 LYS CA C 50.245 0.400 1 486 44 44 LYS CB C 27.783 0.400 1 487 44 44 LYS CG C 19.618 0.400 1 488 44 44 LYS CD C 24.074 0.400 1 489 44 44 LYS CE C 37.21 0.400 1 490 44 44 LYS N N 125.09 0.500 1 491 45 45 GLU H H 8.021 0.050 1 492 45 45 GLU HA H 3.489 0.050 1 493 45 45 GLU HB2 H 0.902 0.050 1 494 45 45 GLU HB3 H 0.954 0.050 1 495 45 45 GLU HG2 H 1.228 0.050 1 496 45 45 GLU HG3 H 0.679 0.050 1 497 45 45 GLU C C 170.187 0.400 1 498 45 45 GLU CA C 52.357 0.400 1 499 45 45 GLU CB C 26.637 0.400 1 500 45 45 GLU CG C 30.634 0.400 1 501 45 45 GLU N N 125.591 0.500 1 502 46 46 PHE H H 6.766 0.050 1 503 46 46 PHE HA H 4.788 0.050 1 504 46 46 PHE HB2 H 2.812 0.050 1 505 46 46 PHE HB3 H 2.06 0.050 1 506 46 46 PHE HD1 H 6.792 0.050 1 507 46 46 PHE HD2 H 6.792 0.050 1 508 46 46 PHE HE1 H 7.038 0.050 1 509 46 46 PHE HE2 H 7.038 0.050 1 510 46 46 PHE CA C 48.852 0.400 1 511 46 46 PHE CB C 37.117 0.400 1 512 46 46 PHE N N 113.617 0.500 1 513 47 47 PRO HA H 3.962 0.050 1 514 47 47 PRO HB2 H 1.835 0.050 1 515 47 47 PRO HB3 H 1.426 0.050 1 516 47 47 PRO HG2 H 1.564 0.050 1 517 47 47 PRO HG3 H 1.477 0.050 1 518 47 47 PRO HD2 H 2.815 0.050 1 519 47 47 PRO HD3 H 2.062 0.050 1 520 47 47 PRO C C 172.109 0.400 1 521 47 47 PRO CA C 58.68 0.400 1 522 47 47 PRO CB C 26.712 0.400 1 523 47 47 PRO CG C 22.195 0.400 1 524 47 47 PRO CD C 45.649 0.400 1 525 48 48 GLY H H 8.212 0.050 1 526 48 48 GLY HA2 H 3.501 0.050 1 527 48 48 GLY HA3 H 3.58 0.050 1 528 48 48 GLY C C 169.172 0.400 1 529 48 48 GLY CA C 40.03 0.400 1 530 48 48 GLY N N 108.674 0.500 1 531 49 49 GLN H H 7.094 0.050 1 532 49 49 GLN HA H 4.097 0.050 1 533 49 49 GLN HB2 H 1.656 0.050 1 534 49 49 GLN HB3 H 1.617 0.050 1 535 49 49 GLN HG2 H 2.093 0.050 1 536 49 49 GLN HG3 H 1.941 0.050 1 537 49 49 GLN HE21 H 7.726 0.050 1 538 49 49 GLN HE22 H 6.398 0.050 1 539 49 49 GLN C C 171.678 0.400 1 540 49 49 GLN CA C 52.72 0.400 1 541 49 49 GLN CB C 25.514 0.400 1 542 49 49 GLN CG C 29.353 0.400 1 543 49 49 GLN N N 119.61 0.500 1 544 49 49 GLN NE2 N 112.629 0.500 1 545 50 50 VAL H H 8.841 0.050 1 546 50 50 VAL HA H 4.334 0.050 1 547 50 50 VAL HB H 2.106 0.050 1 548 50 50 VAL HG1 H 0.774 0.050 1 549 50 50 VAL HG2 H 0.56 0.050 1 550 50 50 VAL C C 170.385 0.400 1 551 50 50 VAL CA C 56.162 0.400 1 552 50 50 VAL CB C 28.486 0.400 1 553 50 50 VAL CG1 C 16.563 0.400 1 554 50 50 VAL CG2 C 14.908 0.400 1 555 50 50 VAL N N 121.018 0.500 1 556 51 51 LEU H H 7.339 0.050 1 557 51 51 LEU HA H 4.288 0.050 1 558 51 51 LEU HB2 H 1.228 0.050 1 559 51 51 LEU HB3 H 1.252 0.050 1 560 51 51 LEU HG H 1.121 0.050 1 561 51 51 LEU HD1 H 0.128 0.050 1 562 51 51 LEU HD2 H 0.37 0.050 1 563 51 51 LEU C C 170.468 0.400 1 564 51 51 LEU CA C 50.081 0.400 1 565 51 51 LEU CB C 41.808 0.400 1 566 51 51 LEU CG C 21.778 0.400 1 567 51 51 LEU CD1 C 21.088 0.400 1 568 51 51 LEU CD2 C 19.03 0.400 1 569 51 51 LEU N N 122.328 0.500 1 570 52 52 ARG H H 8.02 0.050 1 571 52 52 ARG HA H 5.128 0.050 1 572 52 52 ARG HB2 H 1.488 0.050 1 573 52 52 ARG HB3 H 1.427 0.050 1 574 52 52 ARG HG2 H 1.269 0.050 1 575 52 52 ARG HG3 H 1.204 0.050 1 576 52 52 ARG HD2 H 2.66 0.050 1 577 52 52 ARG HD3 H 2.66 0.050 1 578 52 52 ARG HE H 7.073 0.050 1 579 52 52 ARG C C 168.74 0.400 1 580 52 52 ARG CA C 51.374 0.400 1 581 52 52 ARG CB C 28.003 0.400 1 582 52 52 ARG CG C 23.005 0.400 1 583 52 52 ARG CD C 38.13 0.400 1 584 52 52 ARG N N 125.452 0.500 1 585 53 53 TYR H H 9.056 0.050 1 586 53 53 TYR HA H 4.914 0.050 1 587 53 53 TYR HB2 H 2.609 0.050 1 588 53 53 TYR HB3 H 2.481 0.050 1 589 53 53 TYR HD1 H 6.334 0.050 1 590 53 53 TYR HE1 H 6.252 0.050 1 591 53 53 TYR C C 169.347 0.400 1 592 53 53 TYR CA C 51.602 0.400 1 593 53 53 TYR CB C 39.563 0.400 1 594 53 53 TYR CD1 C 128.163 0.400 1 595 53 53 TYR CE1 C 112.498 0.400 1 596 53 53 TYR N N 128.154 0.500 1 597 54 54 GLU H H 8.907 0.050 1 598 54 54 GLU HA H 4.174 0.050 1 599 54 54 GLU HB2 H 1.482 0.050 1 600 54 54 GLU HB3 H 1.393 0.050 1 601 54 54 GLU HG2 H 1.728 0.050 1 602 54 54 GLU HG3 H 1.62 0.050 1 603 54 54 GLU C C 168.012 0.400 1 604 54 54 GLU CA C 48.278 0.400 1 605 54 54 GLU CB C 28.901 0.400 1 606 54 54 GLU CG C 31.337 0.400 1 607 54 54 GLU N N 116.903 0.500 1 608 55 55 ASP H H 6.632 0.050 1 609 55 55 ASP HA H 2.919 0.050 1 610 55 55 ASP HB2 H 2.669 0.050 1 611 55 55 ASP HB3 H 2.64 0.050 1 612 55 55 ASP C C 169.859 0.400 1 613 55 55 ASP CA C 48.746 0.400 1 614 55 55 ASP CB C 37.038 0.400 1 615 55 55 ASP N N 123.17 0.500 1 616 56 56 ASN H H 8.065 0.050 1 617 56 56 ASN HA H 3.811 0.050 1 618 56 56 ASN HB2 H 2.175 0.050 1 619 56 56 ASN HB3 H 2.055 0.050 1 620 56 56 ASN HD21 H 5.978 0.050 1 621 56 56 ASN HD22 H 6.509 0.050 1 622 56 56 ASN C C 170.294 0.400 1 623 56 56 ASN CA C 50.624 0.400 1 624 56 56 ASN CB C 33.193 0.400 1 625 56 56 ASN CG C 170.998 0.400 1 626 56 56 ASN N N 123.692 0.500 1 627 56 56 ASN ND2 N 112.178 0.500 1 628 57 57 PHE H H 8.334 0.050 1 629 57 57 PHE HA H 4.082 0.050 1 630 57 57 PHE HB2 H 2.756 0.050 1 631 57 57 PHE HB3 H 2.525 0.050 1 632 57 57 PHE HD1 H 6.943 0.050 1 633 57 57 PHE HD2 H 6.943 0.050 1 634 57 57 PHE HE1 H 6.943 0.050 1 635 57 57 PHE HE2 H 6.943 0.050 1 636 57 57 PHE HZ H 6.943 0.050 1 637 57 57 PHE C C 170.645 0.400 1 638 57 57 PHE CA C 52.906 0.400 1 639 57 57 PHE CB C 34.427 0.400 1 640 57 57 PHE N N 117.551 0.500 1 641 58 58 ASP H H 7.08 0.050 1 642 58 58 ASP HA H 4.104 0.050 1 643 58 58 ASP HB2 H 2.151 0.050 1 644 58 58 ASP HB3 H 2.255 0.050 1 645 58 58 ASP C C 169.476 0.400 1 646 58 58 ASP CA C 48.234 0.400 1 647 58 58 ASP CB C 35.976 0.400 1 648 58 58 ASP N N 117.913 0.500 1 649 59 59 ALA H H 8.155 0.050 1 650 59 59 ALA HA H 3.661 0.050 1 651 59 59 ALA HB H 0.886 0.050 1 652 59 59 ALA C C 172.8 0.400 1 653 59 59 ALA CA C 49.141 0.400 1 654 59 59 ALA CB C 12.967 0.400 1 655 59 59 ALA N N 126.931 0.500 1 656 60 60 THR H H 7.677 0.050 1 657 60 60 THR HA H 3.548 0.050 1 658 60 60 THR HB H 3.816 0.050 1 659 60 60 THR HG2 H 0.816 0.050 1 660 60 60 THR C C 169.854 0.400 1 661 60 60 THR CA C 58.785 0.400 1 662 60 60 THR CB C 63.978 0.400 1 663 60 60 THR CG2 C 16.569 0.400 1 664 60 60 THR N N 109.18 0.500 1 665 61 61 SER H H 7.413 0.050 1 666 61 61 SER HA H 5.218 0.050 1 667 61 61 SER HB2 H 3.556 0.050 1 668 61 61 SER HB3 H 3.371 0.050 1 669 61 61 SER C C 166.907 0.400 1 670 61 61 SER CA C 51.92 0.400 1 671 61 61 SER CB C 58.291 0.400 1 672 61 61 SER N N 119.988 0.500 1 673 62 62 ASN H H 7.876 0.050 1 674 62 62 ASN HA H 4.489 0.050 1 675 62 62 ASN HB2 H 2.475 0.050 1 676 62 62 ASN HB3 H 2.256 0.050 1 677 62 62 ASN HD21 H 7.109 0.050 1 678 62 62 ASN HD22 H 5.96 0.050 1 679 62 62 ASN C C 167.492 0.400 1 680 62 62 ASN CA C 48.163 0.400 1 681 62 62 ASN CB C 35.809 0.400 1 682 62 62 ASN N N 116.896 0.500 1 683 62 62 ASN ND2 N 116.537 0.500 1 684 63 63 LEU H H 8.838 0.050 1 685 63 63 LEU HA H 5.207 0.050 1 686 63 63 LEU HB2 H 1.519 0.050 1 687 63 63 LEU HB3 H 1.379 0.050 1 688 63 63 LEU HG H 1.454 0.050 1 689 63 63 LEU HD1 H 0.385 0.050 1 690 63 63 LEU HD2 H 0.363 0.050 1 691 63 63 LEU C C 169.171 0.400 1 692 63 63 LEU CA C 49.17 0.400 1 693 63 63 LEU CB C 41.891 0.400 1 694 63 63 LEU CG C 21.683 0.400 1 695 63 63 LEU CD1 C 19.858 0.400 1 696 63 63 LEU CD2 C 20.055 0.400 1 697 63 63 LEU N N 117.172 0.500 1 698 64 64 SER H H 9.088 0.050 1 699 64 64 SER HA H 5.106 0.050 1 700 64 64 SER HB2 H 3.555 0.050 1 701 64 64 SER HB3 H 3.32 0.050 1 702 64 64 SER C C 167.378 0.400 1 703 64 64 SER CA C 52.444 0.400 1 704 64 64 SER CB C 62.069 0.400 1 705 64 64 SER N N 117.692 0.500 1 706 65 65 VAL H H 7.811 0.050 1 707 65 65 VAL HA H 4.678 0.050 1 708 65 65 VAL HB H 1.152 0.050 1 709 65 65 VAL HG1 H 0.263 0.050 1 710 65 65 VAL HG2 H -0.28 0.050 1 711 65 65 VAL C C 169.33 0.400 1 712 65 65 VAL CA C 55.878 0.400 1 713 65 65 VAL CB C 29.051 0.400 1 714 65 65 VAL CG1 C 16.816 0.400 1 715 65 65 VAL CG2 C 14.812 0.400 1 716 65 65 VAL N N 120.333 0.500 1 717 66 66 LEU H H 9.194 0.050 1 718 66 66 LEU HA H 4.686 0.050 1 719 66 66 LEU HB2 H 1.104 0.050 1 720 66 66 LEU HB3 H 1.092 0.050 1 721 66 66 LEU HG H 1.124 0.050 1 722 66 66 LEU HD1 H 0.383 0.050 1 723 66 66 LEU HD2 H 0.311 0.050 1 724 66 66 LEU C C 169.174 0.400 1 725 66 66 LEU CA C 48.638 0.400 1 726 66 66 LEU CB C 39.29 0.400 1 727 66 66 LEU CG C 23.373 0.400 1 728 66 66 LEU CD1 C 21.519 0.400 1 729 66 66 LEU CD2 C 19.917 0.400 1 730 66 66 LEU N N 129.303 0.500 1 731 67 67 VAL H H 8.007 0.050 1 732 67 67 VAL HA H 4.35 0.050 1 733 67 67 VAL HB H 1.38 0.050 1 734 67 67 VAL HG1 H 0.354 0.050 1 735 67 67 VAL HG2 H -0.02 0.050 1 736 67 67 VAL C C 170.389 0.400 1 737 67 67 VAL CA C 56.192 0.400 1 738 67 67 VAL CB C 29.179 0.400 1 739 67 67 VAL CG1 C 18.611 0.400 1 740 67 67 VAL CG2 C 15.883 0.400 1 741 67 67 VAL N N 120.898 0.500 1 742 68 68 GLN H H 8.348 0.050 1 743 68 68 GLN HA H 4.658 0.050 1 744 68 68 GLN HB2 H 1.662 0.050 1 745 68 68 GLN HB3 H 1.493 0.050 1 746 68 68 GLN HG2 H 1.864 0.050 1 747 68 68 GLN HG3 H 1.769 0.050 1 748 68 68 GLN HE21 H 6.981 0.050 1 749 68 68 GLN HE22 H 6.307 0.050 1 750 68 68 GLN CA C 46.563 0.400 1 751 68 68 GLN CB C 26.65 0.400 1 752 68 68 GLN CG C 31.123 0.400 1 753 68 68 GLN N N 124.321 0.500 1 754 68 68 GLN NE2 N 111.745 0.500 1 755 69 69 PRO HA H 3.382 0.050 1 756 69 69 PRO HB2 H 1.521 0.050 1 757 69 69 PRO HB3 H 1.552 0.050 1 758 69 69 PRO HG2 H 1.42 0.050 1 759 69 69 PRO HG3 H 1.402 0.050 1 760 69 69 PRO HD2 H 2.839 0.050 1 761 69 69 PRO HD3 H 2.809 0.050 1 762 69 69 PRO C C 171.415 0.400 1 763 69 69 PRO CA C 57.392 0.400 1 764 69 69 PRO CG C 22.129 0.400 1 765 69 69 PRO CD C 48.603 0.400 1 766 70 70 THR H H 7.751 0.050 1 767 70 70 THR HA H 4.315 0.050 1 768 70 70 THR HB H 3.658 0.050 1 769 70 70 THR HG2 H 0.49 0.050 1 770 70 70 THR C C 165.771 0.400 1 771 70 70 THR CA C 55.472 0.400 1 772 70 70 THR CB C 64.372 0.400 1 773 70 70 THR CG2 C 13.996 0.400 1 774 70 70 THR N N 116.093 0.500 1 775 71 71 ASP H H 7.797 0.050 1 776 71 71 ASP HA H 4.262 0.050 1 777 71 71 ASP HB2 H 2.301 0.050 1 778 71 71 ASP HB3 H 2.156 0.050 1 779 71 71 ASP C C 171.504 0.400 1 780 71 71 ASP CA C 48.162 0.400 1 781 71 71 ASP CB C 35.019 0.400 1 782 71 71 ASP N N 123.555 0.500 1 783 72 72 LYS H H 7.68 0.050 1 784 72 72 LYS HA H 3.662 0.050 1 785 72 72 LYS HB2 H 1.389 0.050 1 786 72 72 LYS HB3 H 1.353 0.050 1 787 72 72 LYS HG2 H 1.053 0.050 1 788 72 72 LYS HG3 H 0.983 0.050 1 789 72 72 LYS HD2 H 1.278 0.050 1 790 72 72 LYS HD3 H 1.219 0.050 1 791 72 72 LYS HE2 H 2.557 0.050 1 792 72 72 LYS HE3 H 2.524 0.050 1 793 72 72 LYS C C 170.514 0.400 1 794 72 72 LYS CA C 50.801 0.400 1 795 72 72 LYS CB C 26.595 0.400 1 796 72 72 LYS CG C 19.894 0.400 1 797 72 72 LYS CD C 23.659 0.400 1 798 72 72 LYS CE C 37.234 0.400 1 799 72 72 LYS N N 122.452 0.500 1 800 73 73 LYS H H 7.962 0.050 1 801 73 73 LYS HA H 3.8 0.050 1 802 73 73 LYS HB2 H 1.365 0.050 1 803 73 73 LYS HB3 H 1.283 0.050 1 804 73 73 LYS HG2 H 0.976 0.050 1 805 73 73 LYS HG3 H 0.947 0.050 1 806 73 73 LYS HD2 H 1.23 0.050 1 807 73 73 LYS HD3 H 1.199 0.050 1 808 73 73 LYS HE2 H 2.492 0.050 1 809 73 73 LYS HE3 H 2.489 0.050 1 810 73 73 LYS C C 171.714 0.400 1 811 73 73 LYS CA C 51.461 0.400 1 812 73 73 LYS CB C 28.093 0.400 1 813 73 73 LYS CG C 19.734 0.400 1 814 73 73 LYS CD C 23.571 0.400 1 815 73 73 LYS CE C 36.972 0.400 1 816 73 73 LYS N N 118.002 0.500 1 817 74 74 SER H H 7.321 0.050 1 818 74 74 SER HA H 4.102 0.050 1 819 74 74 SER HB2 H 3.377 0.050 1 820 74 74 SER HB3 H 3.021 0.050 1 821 74 74 SER C C 169.741 0.400 1 822 74 74 SER CA C 50.557 0.400 1 823 74 74 SER CB C 59.13 0.400 1 824 74 74 SER N N 112.202 0.500 1 825 75 75 ILE H H 8.769 0.050 1 826 75 75 ILE HA H 3.653 0.050 1 827 75 75 ILE HB H 0.916 0.050 1 828 75 75 ILE HG12 H 0.949 0.050 1 829 75 75 ILE HG13 H -0.11 0.050 1 830 75 75 ILE HG2 H -0.33 0.050 1 831 75 75 ILE HD1 H -2.671 0.050 1 832 75 75 ILE C C 169.557 0.400 1 833 75 75 ILE CA C 55.986 0.400 1 834 75 75 ILE CB C 33.495 0.400 1 835 75 75 ILE CG1 C 22.939 0.400 1 836 75 75 ILE CG2 C 13.523 0.400 1 837 75 75 ILE CD1 C 9.535 0.400 1 838 75 75 ILE N N 128.268 0.500 1 839 76 76 THR H H 6.838 0.050 1 840 76 76 THR HA H 3.993 0.050 1 841 76 76 THR HB H 3.981 0.050 1 842 76 76 THR HG2 H 0.775 0.050 1 843 76 76 THR C C 172.172 0.400 1 844 76 76 THR CA C 57.648 0.400 1 845 76 76 THR CB C 62.861 0.400 1 846 76 76 THR CG2 C 16.896 0.400 1 847 76 76 THR N N 108.974 0.500 1 848 77 77 ASP H H 7.419 0.050 1 849 77 77 ASP HA H 4.001 0.050 1 850 77 77 ASP HB2 H 2.256 0.050 1 851 77 77 ASP HB3 H 2.212 0.050 1 852 77 77 ASP C C 172.547 0.400 1 853 77 77 ASP CA C 51.103 0.400 1 854 77 77 ASP CB C 35.616 0.400 1 855 77 77 ASP N N 122.827 0.500 1 856 78 78 PHE H H 7.273 0.050 1 857 78 78 PHE HA H 3.901 0.050 1 858 78 78 PHE HB2 H 2.848 0.050 1 859 78 78 PHE HB3 H 2.79 0.050 1 860 78 78 PHE HD2 H 7.197 0.050 1 861 78 78 PHE HE1 H 6.791 0.050 1 862 78 78 PHE HE2 H 6.791 0.050 1 863 78 78 PHE HZ H 6.791 0.050 1 864 78 78 PHE C C 169.953 0.400 1 865 78 78 PHE CA C 55.447 0.400 1 866 78 78 PHE CB C 34.413 0.400 1 867 78 78 PHE CD2 C 127.754 0.400 1 868 78 78 PHE N N 115.393 0.500 1 869 79 79 GLY H H 7.218 0.050 1 870 79 79 GLY HA2 H 4.47 0.050 1 871 79 79 GLY HA3 H 3.329 0.050 1 872 79 79 GLY C C 168.39 0.400 1 873 79 79 GLY CA C 38.875 0.400 1 874 79 79 GLY N N 106.117 0.500 1 875 80 80 SER H H 8.761 0.050 1 876 80 80 SER HA H 4.217 0.050 1 877 80 80 SER HB2 H 3.591 0.050 1 878 80 80 SER HB3 H 3.902 0.050 1 879 80 80 SER CA C 52.694 0.400 1 880 80 80 SER CB C 57.63 0.400 1 881 80 80 SER N N 119.478 0.500 1 882 81 81 PRO HA H 3.49 0.050 1 883 81 81 PRO HB2 H 1.786 0.050 1 884 81 81 PRO HB3 H 1.74 0.050 1 885 81 81 PRO HG2 H 1.28 0.050 1 886 81 81 PRO HG3 H 2.194 0.050 1 887 81 81 PRO HD2 H 3.227 0.050 1 888 81 81 PRO HD3 H 2.795 0.050 1 889 81 81 PRO C C 171.98 0.400 1 890 81 81 PRO CA C 61.294 0.400 1 891 81 81 PRO CB C 26.609 0.400 1 892 81 81 PRO CG C 21.932 0.400 1 893 81 81 PRO CD C 44.313 0.400 1 894 82 82 GLU H H 8.107 0.050 1 895 82 82 GLU HA H 3.309 0.050 1 896 82 82 GLU HB2 H 1.481 0.050 1 897 82 82 GLU HB3 H 1.516 0.050 1 898 82 82 GLU HG2 H 1.658 0.050 1 899 82 82 GLU HG3 H 1.956 0.050 1 900 82 82 GLU C C 173.513 0.400 1 901 82 82 GLU CA C 55.857 0.400 1 902 82 82 GLU CB C 23.394 0.400 1 903 82 82 GLU CG C 32.665 0.400 1 904 82 82 GLU N N 115.862 0.500 1 905 83 83 ASP H H 7.444 0.050 1 906 83 83 ASP HA H 4.024 0.050 1 907 83 83 ASP HB2 H 2.758 0.050 1 908 83 83 ASP HB3 H 2.716 0.050 1 909 83 83 ASP C C 174.696 0.400 1 910 83 83 ASP CA C 53.054 0.400 1 911 83 83 ASP CB C 35.283 0.400 1 912 83 83 ASP N N 122.558 0.500 1 913 84 84 PHE H H 8.262 0.050 1 914 84 84 PHE HA H 3.551 0.050 1 915 84 84 PHE HB2 H 2.909 0.050 1 916 84 84 PHE HB3 H 2.889 0.050 1 917 84 84 PHE HD1 H 5.986 0.050 1 918 84 84 PHE HD2 H 5.986 0.050 1 919 84 84 PHE HE2 H 6.03 0.050 1 920 84 84 PHE C C 170.51 0.400 1 921 84 84 PHE CA C 55.775 0.400 1 922 84 84 PHE CB C 32.974 0.400 1 923 84 84 PHE CE2 C 126.596 0.400 1 924 84 84 PHE N N 121.763 0.500 1 925 85 85 LEU H H 7.621 0.050 1 926 85 85 LEU HA H 2.896 0.050 1 927 85 85 LEU HB2 H 1.265 0.050 1 928 85 85 LEU HB3 H 0.92 0.050 1 929 85 85 LEU HG H 0.964 0.050 1 930 85 85 LEU HD1 H 0.145 0.050 1 931 85 85 LEU HD2 H 0.124 0.050 1 932 85 85 LEU C C 172.758 0.400 1 933 85 85 LEU CA C 51.75 0.400 1 934 85 85 LEU CB C 36.253 0.400 1 935 85 85 LEU CG C 19.672 0.400 1 936 85 85 LEU CD1 C 20.531 0.400 1 937 85 85 LEU CD2 C 18.355 0.400 1 938 85 85 LEU N N 118.829 0.500 1 939 86 86 SER H H 7.02 0.050 1 940 86 86 SER HA H 3.625 0.050 1 941 86 86 SER HB2 H 3.583 0.050 1 942 86 86 SER HB3 H 3.466 0.050 1 943 86 86 SER C C 170.86 0.400 1 944 86 86 SER CA C 56.106 0.400 1 945 86 86 SER CB C 57.981 0.400 1 946 86 86 SER N N 110.531 0.500 1 947 87 87 GLN H H 7.064 0.050 1 948 87 87 GLN HA H 3.804 0.050 1 949 87 87 GLN HB2 H 1.899 0.050 1 950 87 87 GLN HB3 H 1.649 0.050 1 951 87 87 GLN HG2 H 2.154 0.050 1 952 87 87 GLN HG3 H 2.055 0.050 1 953 87 87 GLN HE21 H 6.813 0.050 1 954 87 87 GLN HE22 H 6.315 0.050 1 955 87 87 GLN C C 172.107 0.400 1 956 87 87 GLN CA C 52.059 0.400 1 957 87 87 GLN CB C 24.149 0.400 1 958 87 87 GLN CG C 29.669 0.400 1 959 87 87 GLN CD C 174.993 0.400 1 960 87 87 GLN N N 118.272 0.500 1 961 87 87 GLN NE2 N 111.068 0.500 1 962 88 88 VAL H H 6.773 0.050 1 963 88 88 VAL HA H 3.826 0.050 1 964 88 88 VAL HB H 1.217 0.050 1 965 88 88 VAL HG1 H -0.1 0.050 1 966 88 88 VAL HG2 H -0.43 0.050 1 967 88 88 VAL C C 170.086 0.400 1 968 88 88 VAL CA C 54.507 0.400 1 969 88 88 VAL CB C 24.705 0.400 1 970 88 88 VAL CG1 C 15.531 0.400 1 971 88 88 VAL CG2 C 13.722 0.400 1 972 88 88 VAL N N 113.942 0.500 1 973 89 89 ASP H H 6.732 0.050 1 974 89 89 ASP HA H 3.313 0.050 1 975 89 89 ASP HB2 H 2.395 0.050 1 976 89 89 ASP HB3 H 2.295 0.050 1 977 89 89 ASP C C 172.498 0.400 1 978 89 89 ASP CA C 52.117 0.400 1 979 89 89 ASP CB C 34.17 0.400 1 980 89 89 ASP N N 120.73 0.500 1 981 90 90 TYR H H 6.882 0.050 1 982 90 90 TYR HA H 3.981 0.050 1 983 90 90 TYR HB2 H 2.753 0.050 1 984 90 90 TYR HB3 H 2.582 0.050 1 985 90 90 TYR HD1 H 6.526 0.050 1 986 90 90 TYR HD2 H 6.526 0.050 1 987 90 90 TYR HE1 H 6.173 0.050 1 988 90 90 TYR C C 172.195 0.400 1 989 90 90 TYR CA C 52.92 0.400 1 990 90 90 TYR CB C 31.376 0.400 1 991 90 90 TYR CD1 C 128.542 0.400 1 992 90 90 TYR CE1 C 112.839 0.400 1 993 90 90 TYR N N 118.326 0.500 1 994 91 91 LEU H H 7.079 0.050 1 995 91 91 LEU HA H 3.254 0.050 1 996 91 91 LEU HB2 H 0.464 0.050 1 997 91 91 LEU HB3 H 0.864 0.050 1 998 91 91 LEU HG H 0.026 0.050 1 999 91 91 LEU HD1 H -0.33 0.050 1 1000 91 91 LEU C C 172.192 0.400 1 1001 91 91 LEU CA C 50.845 0.400 1 1002 91 91 LEU CB C 37.371 0.400 1 1003 91 91 LEU CG C 20.972 0.400 1 1004 91 91 LEU CD1 C 17.7 0.400 1 1005 91 91 LEU N N 121.412 0.500 1 1006 92 92 LEU H H 7.105 0.050 1 1007 92 92 LEU HA H 3.919 0.050 1 1008 92 92 LEU HB2 H 1.323 0.050 1 1009 92 92 LEU HB3 H 0.947 0.050 1 1010 92 92 LEU HG H 1.228 0.050 1 1011 92 92 LEU HD1 H 0.222 0.050 1 1012 92 92 LEU HD2 H 0.038 0.050 1 1013 92 92 LEU C C 172.456 0.400 1 1014 92 92 LEU CA C 49.61 0.400 1 1015 92 92 LEU CB C 36.37 0.400 1 1016 92 92 LEU CG C 23.601 0.400 1 1017 92 92 LEU CD1 C 20.398 0.400 1 1018 92 92 LEU CD2 C 16.938 0.400 1 1019 92 92 LEU N N 114.796 0.500 1 1020 93 93 GLY H H 7.024 0.050 1 1021 93 93 GLY HA2 H 3.778 0.050 1 1022 93 93 GLY HA3 H 3.428 0.050 1 1023 93 93 GLY C C 168.119 0.400 1 1024 93 93 GLY CA C 39.944 0.400 1 1025 93 93 GLY N N 106.103 0.500 1 1026 94 94 LYS H H 7.717 0.050 1 1027 94 94 LYS HA H 3.794 0.050 1 1028 94 94 LYS HB2 H 1.363 0.050 1 1029 94 94 LYS HB3 H 1.275 0.050 1 1030 94 94 LYS HG2 H 0.974 0.050 1 1031 94 94 LYS HG3 H 0.928 0.050 1 1032 94 94 LYS HD2 H 0.942 0.050 1 1033 94 94 LYS HD3 H 0.891 0.050 1 1034 94 94 LYS HE2 H 2.554 0.050 1 1035 94 94 LYS HE3 H 2.539 0.050 1 1036 94 94 LYS C C 171.351 0.400 1 1037 94 94 LYS CA C 51.562 0.400 1 1038 94 94 LYS CB C 27.742 0.400 1 1039 94 94 LYS CG C 19.615 0.400 1 1040 94 94 LYS CD C 23.625 0.400 1 1041 94 94 LYS CE C 36.734 0.400 1 1042 94 94 LYS N N 119.737 0.500 1 1043 95 95 GLN H H 7.824 0.050 1 1044 95 95 GLN HA H 3.794 0.050 1 1045 95 95 GLN HB2 H 1.559 0.050 1 1046 95 95 GLN HB3 H 1.412 0.050 1 1047 95 95 GLN HG2 H 1.816 0.050 1 1048 95 95 GLN HG3 H 1.798 0.050 1 1049 95 95 GLN HE21 H 6.695 0.050 1 1050 95 95 GLN HE22 H 6.12 0.050 1 1051 95 95 GLN C C 169.777 0.400 1 1052 95 95 GLN CA C 50.719 0.400 1 1053 95 95 GLN CB C 24.139 0.400 1 1054 95 95 GLN CG C 28.76 0.400 1 1055 95 95 GLN CD C 173.887 0.400 1 1056 95 95 GLN N N 120.197 0.500 1 1057 95 95 GLN NE2 N 107.5 0.500 1 1058 96 96 ALA H H 7.583 0.050 1 1059 96 96 ALA HA H 3.834 0.050 1 1060 96 96 ALA HB H 0.729 0.050 1 1061 96 96 ALA C C 171.281 0.400 1 1062 96 96 ALA CA C 46.887 0.400 1 1063 96 96 ALA CB C 14.552 0.400 1 1064 96 96 ALA N N 123.983 0.500 1 1065 97 97 TYR H H 7.479 0.050 1 1066 97 97 TYR HA H 4.035 0.050 1 1067 97 97 TYR HB2 H 2.388 0.050 1 1068 97 97 TYR HB3 H 2.374 0.050 1 1069 97 97 TYR HD1 H 6.501 0.050 1 1070 97 97 TYR HD2 H 6.501 0.050 1 1071 97 97 TYR HE1 H 6.248 0.050 1 1072 97 97 TYR HE2 H 6.248 0.050 1 1073 97 97 TYR C C 170.222 0.400 1 1074 97 97 TYR CA C 52.598 0.400 1 1075 97 97 TYR CB C 34.029 0.400 1 1076 97 97 TYR CD1 C 128.203 0.400 1 1077 97 97 TYR CE1 C 113.013 0.400 1 1078 97 97 TYR N N 118.797 0.500 1 1079 98 98 PHE H H 7.783 0.050 1 1080 98 98 PHE HA H 4.135 0.050 1 1081 98 98 PHE HB2 H 2.671 0.050 1 1082 98 98 PHE HB3 H 2.419 0.050 1 1083 98 98 PHE HD1 H 6.721 0.050 1 1084 98 98 PHE HD2 H 6.721 0.050 1 1085 98 98 PHE HE1 H 6.721 0.050 1 1086 98 98 PHE HE2 H 6.721 0.050 1 1087 98 98 PHE HZ H 6.721 0.050 1 1088 98 98 PHE C C 170.459 0.400 1 1089 98 98 PHE CA C 52.519 0.400 1 1090 98 98 PHE CB C 34.351 0.400 1 1091 98 98 PHE N N 121.723 0.500 1 1092 99 99 GLY H H 7.408 0.050 1 1093 99 99 GLY HA2 H 3.425 0.050 1 1094 99 99 GLY HA3 H 3.362 0.050 1 1095 99 99 GLY C C 168.287 0.400 1 1096 99 99 GLY CA C 39.984 0.400 1 1097 99 99 GLY N N 109.845 0.500 1 1098 100 100 LYS H H 7.591 0.050 1 1099 100 100 LYS HA H 4.19 0.050 1 1100 100 100 LYS HB2 H 1.388 0.050 1 1101 100 100 LYS HB3 H 1.363 0.050 1 1102 100 100 LYS HG2 H 0.976 0.050 1 1103 100 100 LYS HG3 H 0.938 0.050 1 1104 100 100 LYS HD2 H 1.23 0.050 1 1105 100 100 LYS HD3 H 1.196 0.050 1 1106 100 100 LYS HE2 H 2.497 0.050 1 1107 100 100 LYS HE3 H 2.521 0.050 1 1108 100 100 LYS C C 171.546 0.400 1 1109 100 100 LYS CA C 51.085 0.400 1 1110 100 100 LYS CB C 27.986 0.400 1 1111 100 100 LYS CG C 19.378 0.400 1 1112 100 100 LYS CD C 23.833 0.400 1 1113 100 100 LYS CE C 36.983 0.400 1 1114 100 100 LYS N N 120.425 0.500 1 1115 101 101 THR H H 7.76 0.050 1 1116 101 101 THR HA H 3.941 0.050 1 1117 101 101 THR HB H 3.797 0.050 1 1118 101 101 THR HG2 H 0.706 0.050 1 1119 101 101 THR C C 169.12 0.400 1 1120 101 101 THR CA C 56.486 0.400 1 1121 101 101 THR CB C 64.633 0.400 1 1122 101 101 THR CG2 C 16.327 0.400 1 1123 101 101 THR N N 114.757 0.500 1 1124 102 102 ASP H H 7.888 0.050 1 1125 102 102 ASP HA H 4.143 0.050 1 1126 102 102 ASP HB2 H 2.253 0.050 1 1127 102 102 ASP HB3 H 2.236 0.050 1 1128 102 102 ASP C C 171.154 0.400 1 1129 102 102 ASP CA C 48.872 0.400 1 1130 102 102 ASP CB C 35.742 0.400 1 1131 102 102 ASP N N 121.903 0.500 1 1132 103 103 SER H H 7.711 0.050 1 1133 103 103 SER HA H 3.961 0.050 1 1134 103 103 SER HB2 H 3.453 0.050 1 1135 103 103 SER HB3 H 3.393 0.050 1 1136 103 103 SER C C 169.559 0.400 1 1137 103 103 SER CA C 53.617 0.400 1 1138 103 103 SER CB C 58.609 0.400 1 1139 103 103 SER N N 115.358 0.500 1 1140 104 104 GLU H H 7.893 0.050 1 1141 104 104 GLU HA H 3.867 0.050 1 1142 104 104 GLU HB2 H 1.54 0.050 1 1143 104 104 GLU HB3 H 1.489 0.050 1 1144 104 104 GLU HG2 H 1.818 0.050 1 1145 104 104 GLU HG3 H 1.663 0.050 1 1146 104 104 GLU C C 171.681 0.400 1 1147 104 104 GLU CA C 51.521 0.400 1 1148 104 104 GLU CB C 24.598 0.400 1 1149 104 104 GLU CG C 30.641 0.400 1 1150 104 104 GLU N N 122.125 0.500 1 1151 105 105 GLY H H 7.815 0.050 1 1152 105 105 GLY HA2 H 3.491 0.050 1 1153 105 105 GLY HA3 H 3.463 0.050 1 1154 105 105 GLY C C 169.253 0.400 1 1155 105 105 GLY CA C 40.239 0.400 1 1156 105 105 GLY N N 109.093 0.500 1 1157 106 106 GLY H H 7.657 0.050 1 1158 106 106 GLY HA2 H 3.408 0.050 1 1159 106 106 GLY HA3 H 3.427 0.050 1 1160 106 106 GLY C C 168.656 0.400 1 1161 106 106 GLY CA C 39.999 0.400 1 1162 106 106 GLY N N 108.307 0.500 1 1163 107 107 PHE H H 7.595 0.050 1 1164 107 107 PHE HA H 4.145 0.050 1 1165 107 107 PHE HB2 H 2.655 0.050 1 1166 107 107 PHE HB3 H 2.528 0.050 1 1167 107 107 PHE HD1 H 6.754 0.050 1 1168 107 107 PHE HD2 H 6.754 0.050 1 1169 107 107 PHE HE1 H 6.754 0.050 1 1170 107 107 PHE HE2 H 6.754 0.050 1 1171 107 107 PHE HZ H 6.754 0.050 1 1172 107 107 PHE C C 169.196 0.400 1 1173 107 107 PHE CA C 52.71 0.400 1 1174 107 107 PHE CB C 34.357 0.400 1 1175 107 107 PHE N N 119.652 0.500 1 1176 108 108 ASP H H 7.828 0.050 1 1177 108 108 ASP HA H 4.162 0.050 1 1178 108 108 ASP HB2 H 2.25 0.050 1 1179 108 108 ASP HB3 H 2.139 0.050 1 1180 108 108 ASP C C 170.808 0.400 1 1181 108 108 ASP CA C 48.895 0.400 1 1182 108 108 ASP CB C 35.962 0.400 1 1183 108 108 ASP N N 121.812 0.500 1 1184 109 109 SER H H 7.727 0.050 1 1185 109 109 SER HA H 3.9 0.050 1 1186 109 109 SER HB2 H 3.473 0.050 1 1187 109 109 SER HB3 H 3.378 0.050 1 1188 109 109 SER C C 169.862 0.400 1 1189 109 109 SER CA C 53.838 0.400 1 1190 109 109 SER CB C 58.59 0.400 1 1191 109 109 SER N N 116.524 0.500 1 1192 110 110 GLY H H 7.996 0.050 1 1193 110 110 GLY HA2 H 3.496 0.050 1 1194 110 110 GLY HA3 H 3.449 0.050 1 1195 110 110 GLY C C 168.785 0.400 1 1196 110 110 GLY CA C 40.242 0.400 1 1197 110 110 GLY N N 110.396 0.500 1 1198 111 111 VAL H H 7.319 0.050 1 1199 111 111 VAL HA H 3.646 0.050 1 1200 111 111 VAL HB H 1.522 0.050 1 1201 111 111 VAL HG1 H 0.408 0.050 1 1202 111 111 VAL HG2 H 0.421 0.050 1 1203 111 111 VAL C C 170.769 0.400 1 1204 111 111 VAL CA C 57.321 0.400 1 1205 111 111 VAL CB C 27.424 0.400 1 1206 111 111 VAL CG1 C 15.764 0.400 1 1207 111 111 VAL CG2 C 15.385 0.400 1 1208 111 111 VAL N N 119.046 0.500 1 1209 112 112 VAL H H 7.634 0.050 1 1210 112 112 VAL HA H 3.566 0.050 1 1211 112 112 VAL HB H 1.515 0.050 1 1212 112 112 VAL HG1 H 0.4 0.050 1 1213 112 112 VAL HG2 H 0.407 0.050 1 1214 112 112 VAL C C 170.115 0.400 1 1215 112 112 VAL CA C 57.355 0.400 1 1216 112 112 VAL CB C 27.44 0.400 1 1217 112 112 VAL CG1 C 15.785 0.400 1 1218 112 112 VAL CG2 C 15.819 0.400 1 1219 112 112 VAL N N 123.242 0.500 1 1220 113 113 ALA H H 7.85 0.050 1 1221 113 113 ALA HA H 3.96 0.050 1 1222 113 113 ALA HB H 0.85 0.050 1 1223 113 113 ALA C C 171.929 0.400 1 1224 113 113 ALA CA C 47.126 0.400 1 1225 113 113 ALA CB C 14.571 0.400 1 1226 113 113 ALA N N 127.51 0.500 1 1227 114 114 SER H H 7.657 0.050 1 1228 114 114 SER HA H 4.014 0.050 1 1229 114 114 SER HB2 H 3.569 0.050 1 1230 114 114 SER HB3 H 3.341 0.050 1 1231 114 114 SER C C 167.952 0.400 1 1232 114 114 SER CA C 52.909 0.400 1 1233 114 114 SER CB C 58.868 0.400 1 1234 114 114 SER N N 113.729 0.500 1 1235 115 115 ALA H H 7.723 0.050 1 1236 115 115 ALA HA H 4.33 0.050 1 1237 115 115 ALA HB H 0.659 0.050 1 1238 115 115 ALA C C 170.576 0.400 1 1239 115 115 ALA CA C 46.284 0.400 1 1240 115 115 ALA CB C 15.685 0.400 1 1241 115 115 ALA N N 124.571 0.500 1 1242 116 116 ASN H H 7.988 0.050 1 1243 116 116 ASN HA H 4.516 0.050 1 1244 116 116 ASN HB2 H 2.252 0.050 1 1245 116 116 ASN HB3 H 2.107 0.050 1 1246 116 116 ASN HD21 H 7.419 0.050 1 1247 116 116 ASN HD22 H 7.419 0.050 1 1248 116 116 ASN CA C 47.119 0.400 1 1249 116 116 ASN CB C 35.782 0.400 1 1250 116 116 ASN CG C 173.928 0.400 1 1251 116 116 ASN N N 118.66 0.500 1 1252 116 116 ASN ND2 N 115.579 0.500 1 1253 119 119 GLU H H 7.375 0.050 1 1254 119 119 GLU HA H 4.162 0.050 1 1255 119 119 GLU HB2 H 1.746 0.050 1 1256 119 119 GLU HB3 H 1.721 0.050 1 1257 119 119 GLU HG2 H 1.747 0.050 1 1258 119 119 GLU HG3 H 1.747 0.050 1 1259 119 119 GLU C C 168.332 0.400 1 1260 119 119 GLU CA C 49.999 0.400 1 1261 119 119 GLU CB C 30.161 0.400 1 1262 119 119 GLU CG C 35.76 0.400 1 1263 120 120 SER H H 7.923 0.050 1 1264 120 120 SER HA H 4.955 0.050 1 1265 120 120 SER HB2 H 3.314 0.050 1 1266 120 120 SER HB3 H 3.314 0.050 1 1267 120 120 SER C C 167.745 0.400 1 1268 120 120 SER CA C 52.343 0.400 1 1269 120 120 SER CB C 61.091 0.400 1 1270 120 120 SER N N 115.35 0.500 1 1271 121 121 SER H H 8.925 0.050 1 1272 121 121 SER HA H 4.37 0.050 1 1273 121 121 SER HB2 H 3.567 0.050 1 1274 121 121 SER HB3 H 3.42 0.050 1 1275 121 121 SER C C 167.924 0.400 1 1276 121 121 SER CA C 52.455 0.400 1 1277 121 121 SER CB C 60.221 0.400 1 1278 121 121 SER N N 114.511 0.500 1 1279 122 122 THR H H 8.144 0.050 1 1280 122 122 THR HA H 5.173 0.050 1 1281 122 122 THR HB H 4.16 0.050 1 1282 122 122 THR HG2 H 0.608 0.050 1 1283 122 122 THR CA C 51.625 0.400 1 1284 122 122 THR CB C 64.255 0.400 1 1285 122 122 THR CG2 C 15.649 0.400 1 1286 122 122 THR N N 109.51 0.500 1 1287 123 123 PRO HA H 4.393 0.050 1 1288 123 123 PRO HB2 H 1.841 0.050 1 1289 123 123 PRO HB3 H 1.821 0.050 1 1290 123 123 PRO HG2 H 1.564 0.050 1 1291 123 123 PRO HG3 H 1.413 0.050 1 1292 123 123 PRO HD2 H 3.322 0.050 1 1293 123 123 PRO HD3 H 3.124 0.050 1 1294 123 123 PRO C C 172.936 0.400 1 1295 123 123 PRO CA C 57.916 0.400 1 1296 123 123 PRO CB C 27.724 0.400 1 1297 123 123 PRO CG C 21.73 0.400 1 1298 123 123 PRO CD C 45.429 0.400 1 1299 124 124 VAL H H 7.713 0.050 1 1300 124 124 VAL HA H 4.491 0.050 1 1301 124 124 VAL HB H 1.496 0.050 1 1302 124 124 VAL HG1 H 0.54 0.050 1 1303 124 124 VAL HG2 H 0.289 0.050 1 1304 124 124 VAL C C 171.417 0.400 1 1305 124 124 VAL CA C 55.998 0.400 1 1306 124 124 VAL CB C 27.364 0.400 1 1307 124 124 VAL CG1 C 16.337 0.400 1 1308 124 124 VAL CG2 C 15.579 0.400 1 1309 124 124 VAL N N 121.163 0.500 1 1310 125 125 VAL H H 8.413 0.050 1 1311 125 125 VAL HA H 3.836 0.050 1 1312 125 125 VAL HB H 1.373 0.050 1 1313 125 125 VAL HG1 H 0.391 0.050 1 1314 125 125 VAL HG2 H 0.179 0.050 1 1315 125 125 VAL C C 171.569 0.400 1 1316 125 125 VAL CA C 56.333 0.400 1 1317 125 125 VAL CB C 29.316 0.400 1 1318 125 125 VAL CG1 C 15.831 0.400 1 1319 125 125 VAL CG2 C 14.489 0.400 1 1320 125 125 VAL N N 127.831 0.500 1 1321 126 126 ASP H H 9.109 0.050 1 1322 126 126 ASP HA H 3.875 0.050 1 1323 126 126 ASP HB2 H 2.526 0.050 1 1324 126 126 ASP HB3 H 2.138 0.050 1 1325 126 126 ASP C C 170.768 0.400 1 1326 126 126 ASP CA C 50.154 0.400 1 1327 126 126 ASP CB C 34.598 0.400 1 1328 126 126 ASP N N 130.804 0.500 1 1329 127 127 GLY H H 7.912 0.050 1 1330 127 127 GLY HA2 H 3.686 0.050 1 1331 127 127 GLY HA3 H 3.093 0.050 1 1332 127 127 GLY C C 168.418 0.400 1 1333 127 127 GLY CA C 40.268 0.400 1 1334 127 127 GLY N N 102.164 0.500 1 1335 128 128 LYS H H 7.428 0.050 1 1336 128 128 LYS HA H 4.21 0.050 1 1337 128 128 LYS HB2 H 1.489 0.050 1 1338 128 128 LYS HB3 H 1.44 0.050 1 1339 128 128 LYS HG2 H 0.959 0.050 1 1340 128 128 LYS HG3 H 0.941 0.050 1 1341 128 128 LYS HD2 H 1.231 0.050 1 1342 128 128 LYS HD3 H 1.235 0.050 1 1343 128 128 LYS HE2 H 2.559 0.050 1 1344 128 128 LYS HE3 H 2.559 0.050 1 1345 128 128 LYS C C 168.966 0.400 1 1346 128 128 LYS CA C 49.547 0.400 1 1347 128 128 LYS CB C 28.853 0.400 1 1348 128 128 LYS CG C 19.382 0.400 1 1349 128 128 LYS CD C 23.119 0.400 1 1350 128 128 LYS CE C 37.338 0.400 1 1351 128 128 LYS N N 121.264 0.500 1 1352 129 129 GLN H H 8.268 0.050 1 1353 129 129 GLN HA H 4.222 0.050 1 1354 129 129 GLN HB2 H 1.228 0.050 1 1355 129 129 GLN HB3 H 1.214 0.050 1 1356 129 129 GLN HG2 H 1.714 0.050 1 1357 129 129 GLN HG3 H 1.491 0.050 1 1358 129 129 GLN HE21 H 7.295 0.050 1 1359 129 129 GLN HE22 H 6.233 0.050 1 1360 129 129 GLN C C 170.117 0.400 1 1361 129 129 GLN CA C 50.565 0.400 1 1362 129 129 GLN CB C 25.063 0.400 1 1363 129 129 GLN CG C 29.241 0.400 1 1364 129 129 GLN CD C 173.392 0.400 1 1365 129 129 GLN N N 122.787 0.500 1 1366 129 129 GLN NE2 N 115.655 0.500 1 1367 130 130 TYR H H 8.948 0.050 1 1368 130 130 TYR HA H 4.871 0.050 1 1369 130 130 TYR HB2 H 2.595 0.050 1 1370 130 130 TYR HB3 H 2.455 0.050 1 1371 130 130 TYR HD1 H 6.668 0.050 1 1372 130 130 TYR HD2 H 6.668 0.050 1 1373 130 130 TYR HE1 H 6.234 0.050 1 1374 130 130 TYR HE2 H 6.234 0.050 1 1375 130 130 TYR C C 170.71 0.400 1 1376 130 130 TYR CA C 51.429 0.400 1 1377 130 130 TYR CB C 35.926 0.400 1 1378 130 130 TYR N N 129.297 0.500 1 1379 131 131 TYR H H 8.423 0.050 1 1380 131 131 TYR HA H 5.107 0.050 1 1381 131 131 TYR HB2 H 2.347 0.050 1 1382 131 131 TYR HB3 H 2.169 0.050 1 1383 131 131 TYR HD1 H 6.452 0.050 1 1384 131 131 TYR HD2 H 6.462 0.050 1 1385 131 131 TYR HE1 H 6.072 0.050 1 1386 131 131 TYR C C 170.078 0.400 1 1387 131 131 TYR CA C 48.391 0.400 1 1388 131 131 TYR CB C 35.207 0.400 1 1389 131 131 TYR CD1 C 128.633 0.400 1 1390 131 131 TYR CD2 C 128.089 0.400 1 1391 131 131 TYR CE1 C 112.913 0.400 1 1392 131 131 TYR N N 116.225 0.500 1 1393 132 132 SER H H 8.095 0.050 1 1394 132 132 SER HA H 5.311 0.050 1 1395 132 132 SER HB2 H 3.305 0.050 1 1396 132 132 SER HB3 H 3.129 0.050 1 1397 132 132 SER C C 168.659 0.400 1 1398 132 132 SER CA C 51.359 0.400 1 1399 132 132 SER CB C 58.643 0.400 1 1400 132 132 SER N N 115.455 0.500 1 1401 133 133 ILE H H 8.937 0.050 1 1402 133 133 ILE HA H 4.403 0.050 1 1403 133 133 ILE HB H 1.221 0.050 1 1404 133 133 ILE HG12 H 0.518 0.050 1 1405 133 133 ILE HG13 H 0.485 0.050 1 1406 133 133 ILE HG2 H 0.493 0.050 1 1407 133 133 ILE HD1 H 0.478 0.050 1 1408 133 133 ILE C C 168.436 0.400 1 1409 133 133 ILE CA C 55.836 0.400 1 1410 133 133 ILE CB C 37.907 0.400 1 1411 133 133 ILE CG1 C 23.382 0.400 1 1412 133 133 ILE CG2 C 14.112 0.400 1 1413 133 133 ILE CD1 C 10.861 0.400 1 1414 133 133 ILE N N 126.807 0.500 1 1415 134 134 THR H H 8.484 0.050 1 1416 134 134 THR HA H 4.893 0.050 1 1417 134 134 THR HB H 3.632 0.050 1 1418 134 134 THR HG2 H 0.789 0.050 1 1419 134 134 THR C C 168.523 0.400 1 1420 134 134 THR CA C 56.697 0.400 1 1421 134 134 THR CB C 64.625 0.400 1 1422 134 134 THR CG2 C 16.425 0.400 1 1423 134 134 THR N N 123.544 0.500 1 1424 135 135 VAL H H 9.214 0.050 1 1425 135 135 VAL HA H 4.41 0.050 1 1426 135 135 VAL HB H 1.349 0.050 1 1427 135 135 VAL HG1 H 0.303 0.050 1 1428 135 135 VAL HG2 H 0.554 0.050 1 1429 135 135 VAL C C 167.927 0.400 1 1430 135 135 VAL CA C 54.493 0.400 1 1431 135 135 VAL CB C 30.444 0.400 1 1432 135 135 VAL CG1 C 16.608 0.400 1 1433 135 135 VAL CG2 C 16.305 0.400 1 1434 135 135 VAL N N 126.055 0.500 1 1435 136 136 LEU H H 8.286 0.050 1 1436 136 136 LEU HA H 4.546 0.050 1 1437 136 136 LEU HB2 H 1.145 0.050 1 1438 136 136 LEU HB3 H 0.738 0.050 1 1439 136 136 LEU HG H 0.716 0.050 1 1440 136 136 LEU HD1 H 0.114 0.050 1 1441 136 136 LEU HD2 H -0.02 0.050 1 1442 136 136 LEU C C 171.632 0.400 1 1443 136 136 LEU CA C 48.029 0.400 1 1444 136 136 LEU CB C 39.058 0.400 1 1445 136 136 LEU CG C 21.883 0.400 1 1446 136 136 LEU CD1 C 19.435 0.400 1 1447 136 136 LEU CD2 C 18.43 0.400 1 1448 136 136 LEU N N 127.54 0.500 1 1449 137 137 THR H H 8.381 0.050 1 1450 137 137 THR HA H 4.578 0.050 1 1451 137 137 THR HB H 3.677 0.050 1 1452 137 137 THR HG2 H 0.599 0.050 1 1453 137 137 THR C C 168.358 0.400 1 1454 137 137 THR CA C 54.825 0.400 1 1455 137 137 THR CB C 65.356 0.400 1 1456 137 137 THR CG2 C 17.268 0.400 1 1457 137 137 THR N N 118.393 0.500 1 1458 138 138 ARG H H 8.058 0.050 1 1459 138 138 ARG HA H 4.339 0.050 1 1460 138 138 ARG HB2 H 1.429 0.050 1 1461 138 138 ARG HB3 H 1.259 0.050 1 1462 138 138 ARG HG2 H 1.078 0.050 1 1463 138 138 ARG HG3 H 1.105 0.050 1 1464 138 138 ARG HD2 H 2.599 0.050 1 1465 138 138 ARG HD3 H 2.658 0.050 1 1466 138 138 ARG HE H 6.75 0.050 1 1467 138 138 ARG C C 170.703 0.400 1 1468 138 138 ARG CA C 50.243 0.400 1 1469 138 138 ARG CB C 27.555 0.400 1 1470 138 138 ARG CG C 22.123 0.400 1 1471 138 138 ARG CD C 37.973 0.400 1 1472 138 138 ARG N N 122.096 0.500 1 1473 139 139 THR H H 7.956 0.050 1 1474 139 139 THR HA H 4.128 0.050 1 1475 139 139 THR HB H 3.9 0.050 1 1476 139 139 THR HG2 H 0.716 0.050 1 1477 139 139 THR C C 169.045 0.400 1 1478 139 139 THR CA C 55.651 0.400 1 1479 139 139 THR CB C 65.104 0.400 1 1480 139 139 THR CG2 C 16.57 0.400 1 1481 139 139 THR N N 113.918 0.500 1 1482 140 140 ALA H H 7.914 0.050 1 1483 140 140 ALA HA H 3.85 0.050 1 1484 140 140 ALA HB H 0.936 0.050 1 1485 140 140 ALA C C 171.805 0.400 1 1486 140 140 ALA CA C 47.335 0.400 1 1487 140 140 ALA CB C 14.15 0.400 1 1488 140 140 ALA N N 123.832 0.500 1 1489 141 141 ASP H H 7.711 0.050 1 1490 141 141 ASP HA H 4.142 0.050 1 1491 141 141 ASP HB2 H 2.168 0.050 1 1492 141 141 ASP HB3 H 2.143 0.050 1 1493 141 141 ASP C C 171.331 0.400 1 1494 141 141 ASP CA C 49.069 0.400 1 1495 141 141 ASP CB C 35.882 0.400 1 1496 141 141 ASP N N 117.545 0.500 1 1497 142 142 GLY H H 7.721 0.050 1 1498 142 142 GLY HA2 H 3.628 0.050 1 1499 142 142 GLY HA3 H 3.404 0.050 1 1500 142 142 GLY C C 169.431 0.400 1 1501 142 142 GLY CA C 40.341 0.400 1 1502 142 142 GLY N N 109.044 0.500 1 1503 143 143 ASP H H 7.864 0.050 1 1504 143 143 ASP HA H 4.157 0.050 1 1505 143 143 ASP HB2 H 2.311 0.050 1 1506 143 143 ASP HB3 H 2.286 0.050 1 1507 143 143 ASP C C 172.021 0.400 1 1508 143 143 ASP CA C 49.825 0.400 1 1509 143 143 ASP CB C 35.939 0.400 1 1510 143 143 ASP N N 120.75 0.500 1 1511 144 144 GLU H H 8.077 0.050 1 1512 144 144 GLU HA H 3.873 0.050 1 1513 144 144 GLU HB2 H 1.737 0.050 1 1514 144 144 GLU HB3 H 1.601 0.050 1 1515 144 144 GLU HG2 H 1.904 0.050 1 1516 144 144 GLU HG3 H 1.876 0.050 1 1517 144 144 GLU C C 171.959 0.400 1 1518 144 144 GLU CA C 52.211 0.400 1 1519 144 144 GLU CB C 24.559 0.400 1 1520 144 144 GLU CG C 31.018 0.400 1 1521 144 144 GLU N N 120.193 0.500 1 1522 145 145 GLY H H 7.824 0.050 1 1523 145 145 GLY HA2 H 3.621 0.050 1 1524 145 145 GLY HA3 H 3.541 0.050 1 1525 145 145 GLY C C 169.262 0.400 1 1526 145 145 GLY CA C 40.296 0.400 1 1527 145 145 GLY N N 107.948 0.500 1 1528 146 146 GLY H H 7.635 0.050 1 1529 146 146 GLY HA2 H 3.98 0.050 1 1530 146 146 GLY HA3 H 3.587 0.050 1 1531 146 146 GLY C C 168.139 0.400 1 1532 146 146 GLY CA C 39.795 0.400 1 1533 146 146 GLY N N 108.565 0.500 1 1534 147 147 LYS H H 8.254 0.050 1 1535 147 147 LYS HA H 4.394 0.050 1 1536 147 147 LYS HB2 H 1.124 0.050 1 1537 147 147 LYS HB3 H 1.191 0.050 1 1538 147 147 LYS HG2 H 0.877 0.050 1 1539 147 147 LYS HG3 H 0.816 0.050 1 1540 147 147 LYS HD2 H 1.109 0.050 1 1541 147 147 LYS HD3 H 1.052 0.050 1 1542 147 147 LYS HE2 H 2.388 0.050 1 1543 147 147 LYS HE3 H 2.356 0.050 1 1544 147 147 LYS C C 169.867 0.400 1 1545 147 147 LYS CA C 50.493 0.400 1 1546 147 147 LYS CB C 30.409 0.400 1 1547 147 147 LYS CG C 19.457 0.400 1 1548 147 147 LYS CD C 24.112 0.400 1 1549 147 147 LYS CE C 36.928 0.400 1 1550 147 147 LYS N N 120.154 0.500 1 1551 148 148 HIS H H 8.066 0.050 1 1552 148 148 HIS HA H 4.15 0.050 1 1553 148 148 HIS HB2 H 2.296 0.050 1 1554 148 148 HIS HB3 H 2.225 0.050 1 1555 148 148 HIS HD2 H 5.661 0.050 1 1556 148 148 HIS HE1 H 7.642 0.050 1 1557 148 148 HIS HE2 H 7.026 0.050 1 1558 148 148 HIS C C 168.356 0.400 1 1559 148 148 HIS CA C 49.421 0.400 1 1560 148 148 HIS CB C 24.357 0.400 1 1561 148 148 HIS CD2 C 113.153 0.400 1 1562 148 148 HIS CE1 C 130.628 0.400 1 1563 148 148 HIS N N 121.022 0.500 1 1564 149 149 GLN H H 8.539 0.050 1 1565 149 149 GLN HA H 4.931 0.050 1 1566 149 149 GLN HB2 H 1.492 0.050 1 1567 149 149 GLN HB3 H 1.402 0.050 1 1568 149 149 GLN HG2 H 1.682 0.050 1 1569 149 149 GLN HG3 H 1.596 0.050 1 1570 149 149 GLN HE21 H 6.496 0.050 1 1571 149 149 GLN HE22 H 6.453 0.050 1 1572 149 149 GLN C C 168.527 0.400 1 1573 149 149 GLN CA C 49.509 0.400 1 1574 149 149 GLN CB C 26.177 0.400 1 1575 149 149 GLN CG C 28.764 0.400 1 1576 149 149 GLN CD C 172.156 0.400 1 1577 149 149 GLN N N 120.285 0.500 1 1578 149 149 GLN NE2 N 109.617 0.500 1 1579 150 150 VAL H H 8.828 0.050 1 1580 150 150 VAL HA H 4.742 0.050 1 1581 150 150 VAL HB H 1.471 0.050 1 1582 150 150 VAL HG1 H 0.724 0.050 1 1583 150 150 VAL HG2 H 0.548 0.050 1 1584 150 150 VAL C C 169.082 0.400 1 1585 150 150 VAL CA C 56.153 0.400 1 1586 150 150 VAL CB C 29.096 0.400 1 1587 150 150 VAL CG1 C 16.799 0.400 1 1588 150 150 VAL CG2 C 16.325 0.400 1 1589 150 150 VAL N N 123.286 0.500 1 1590 151 151 ILE H H 8.758 0.050 1 1591 151 151 ILE HA H 4.533 0.050 1 1592 151 151 ILE HB H 1.232 0.050 1 1593 151 151 ILE HG12 H 0.156 0.050 1 1594 151 151 ILE HG13 H 0.356 0.050 1 1595 151 151 ILE HG2 H 0.329 0.050 1 1596 151 151 ILE HD1 H 0.163 0.050 1 1597 151 151 ILE C C 168.444 0.400 1 1598 151 151 ILE CA C 54.773 0.400 1 1599 151 151 ILE CB C 36.88 0.400 1 1600 151 151 ILE CG1 C 23.872 0.400 1 1601 151 151 ILE CG2 C 13.122 0.400 1 1602 151 151 ILE CD1 C 9.468 0.400 1 1603 151 151 ILE N N 126.777 0.500 1 1604 152 152 ALA H H 8.854 0.050 1 1605 152 152 ALA HA H 5.404 0.050 1 1606 152 152 ALA HB H 1.089 0.050 1 1607 152 152 ALA C C 171.383 0.400 1 1608 152 152 ALA CA C 45.262 0.400 1 1609 152 152 ALA CB C 17.225 0.400 1 1610 152 152 ALA N N 129.554 0.500 1 1611 153 153 ALA H H 8.613 0.050 1 1612 153 153 ALA HA H 5.459 0.050 1 1613 153 153 ALA HB H 0.653 0.050 1 1614 153 153 ALA C C 170.423 0.400 1 1615 153 153 ALA CA C 45.663 0.400 1 1616 153 153 ALA CB C 20.974 0.400 1 1617 153 153 ALA N N 121.413 0.500 1 1618 154 154 THR H H 8.339 0.050 1 1619 154 154 THR HA H 3.674 0.050 1 1620 154 154 THR HB H 2.85 0.050 1 1621 154 154 THR HG2 H 0.181 0.050 1 1622 154 154 THR C C 165.363 0.400 1 1623 154 154 THR CA C 56.528 0.400 1 1624 154 154 THR CB C 63.188 0.400 1 1625 154 154 THR CG2 C 13.818 0.400 1 1626 154 154 THR N N 112.825 0.500 1 1627 155 155 VAL H H 7.438 0.050 1 1628 155 155 VAL HA H 4.865 0.050 1 1629 155 155 VAL HB H 1.103 0.050 1 1630 155 155 VAL HG1 H 0.346 0.050 1 1631 155 155 VAL HG2 H 0.128 0.050 1 1632 155 155 VAL C C 169.949 0.400 1 1633 155 155 VAL CA C 55.333 0.400 1 1634 155 155 VAL CB C 30.395 0.400 1 1635 155 155 VAL CG1 C 17.553 0.400 1 1636 155 155 VAL CG2 C 15.58 0.400 1 1637 155 155 VAL N N 122.945 0.500 1 1638 156 156 LYS H H 8.954 0.050 1 1639 156 156 LYS HA H 4.107 0.050 1 1640 156 156 LYS HB2 H 1.396 0.050 1 1641 156 156 LYS HB3 H 1.369 0.050 1 1642 156 156 LYS HG2 H 0.885 0.050 1 1643 156 156 LYS HG3 H 0.816 0.050 1 1644 156 156 LYS HD2 H 1.218 0.050 1 1645 156 156 LYS HD3 H 1.193 0.050 1 1646 156 156 LYS HE2 H 2.531 0.050 1 1647 156 156 LYS HE3 H 2.559 0.050 1 1648 156 156 LYS C C 170.124 0.400 1 1649 156 156 LYS CA C 51.294 0.400 1 1650 156 156 LYS CB C 31.016 0.400 1 1651 156 156 LYS CG C 19.848 0.400 1 1652 156 156 LYS CD C 24.012 0.400 1 1653 156 156 LYS CE C 37.056 0.400 1 1654 156 156 LYS N N 127.399 0.500 1 1655 157 157 ASP H H 8.795 0.050 1 1656 157 157 ASP HA H 3.906 0.050 1 1657 157 157 ASP HB2 H 2.531 0.050 1 1658 157 157 ASP HB3 H 2.254 0.050 1 1659 157 157 ASP C C 170.337 0.400 1 1660 157 157 ASP CA C 50.289 0.400 1 1661 157 157 ASP CB C 34.841 0.400 1 1662 157 157 ASP N N 127.931 0.500 1 1663 158 158 GLY H H 8.301 0.050 1 1664 158 158 GLY HA2 H 3.651 0.050 1 1665 158 158 GLY HA3 H 3.444 0.050 1 1666 158 158 GLY C C 170.058 0.400 1 1667 158 158 GLY CA C 40.443 0.400 1 1668 158 158 GLY N N 104.169 0.500 1 1669 159 159 LYS H H 7.427 0.050 1 1670 159 159 LYS HA H 4.467 0.050 1 1671 159 159 LYS HB2 H 1.443 0.050 1 1672 159 159 LYS HB3 H 0.599 0.050 1 1673 159 159 LYS HG2 H 0.706 0.050 1 1674 159 159 LYS HG3 H 0.685 0.050 1 1675 159 159 LYS HD2 H 0.875 0.050 1 1676 159 159 LYS HD3 H 0.864 0.050 1 1677 159 159 LYS HE2 H 2.565 0.050 1 1678 159 159 LYS HE3 H 2.539 0.050 1 1679 159 159 LYS C C 167.753 0.400 1 1680 159 159 LYS CA C 49.731 0.400 1 1681 159 159 LYS CB C 30.694 0.400 1 1682 159 159 LYS CG C 19.907 0.400 1 1683 159 159 LYS CD C 24.074 0.400 1 1684 159 159 LYS CE C 37.181 0.400 1 1685 159 159 LYS N N 119.223 0.500 1 1686 160 160 LEU H H 9.06 0.050 1 1687 160 160 LEU HA H 4.355 0.050 1 1688 160 160 LEU HB2 H 1.465 0.050 1 1689 160 160 LEU HB3 H 0.764 0.050 1 1690 160 160 LEU HG H 1.012 0.050 1 1691 160 160 LEU HD1 H -0.02 0.050 1 1692 160 160 LEU HD2 H 0.475 0.050 1 1693 160 160 LEU C C 168.73 0.400 1 1694 160 160 LEU CA C 48.247 0.400 1 1695 160 160 LEU CB C 39.069 0.400 1 1696 160 160 LEU CD1 C 18.514 0.400 1 1697 160 160 LEU CD2 C 21.509 0.400 1 1698 160 160 LEU N N 125.246 0.500 1 1699 161 161 TYR H H 8.619 0.050 1 1700 161 161 TYR HA H 4.638 0.050 1 1701 161 161 TYR HB2 H 2.374 0.050 1 1702 161 161 TYR HB3 H 2.367 0.050 1 1703 161 161 TYR HD1 H 6.258 0.050 1 1704 161 161 TYR HD2 H 6.258 0.050 1 1705 161 161 TYR HE1 H 6.501 0.050 1 1706 161 161 TYR HE2 H 6.501 0.050 1 1707 161 161 TYR C C 169.916 0.400 1 1708 161 161 TYR CA C 51.949 0.400 1 1709 161 161 TYR CB C 35.977 0.400 1 1710 161 161 TYR CD1 C 128.17 0.400 1 1711 161 161 TYR CE1 C 113.243 0.400 1 1712 161 161 TYR N N 126.119 0.500 1 1713 162 162 ILE H H 8.601 0.050 1 1714 162 162 ILE HA H 4.425 0.050 1 1715 162 162 ILE HB H 1.121 0.050 1 1716 162 162 ILE HG12 H 1.164 0.050 1 1717 162 162 ILE HG13 H 0.391 0.050 1 1718 162 162 ILE HG2 H 0.281 0.050 1 1719 162 162 ILE HD1 H 0.334 0.050 1 1720 162 162 ILE C C 168.268 0.400 1 1721 162 162 ILE CA C 54.406 0.400 1 1722 162 162 ILE CB C 37.487 0.400 1 1723 162 162 ILE CG1 C 22.463 0.400 1 1724 162 162 ILE CG2 C 12.715 0.400 1 1725 162 162 ILE CD1 C 9.072 0.400 1 1726 162 162 ILE N N 120.171 0.500 1 1727 163 163 CYS H H 8.896 0.050 1 1728 163 163 CYS HA H 4.48 0.050 1 1729 163 163 CYS HB2 H 1.558 0.050 1 1730 163 163 CYS HB3 H 1.539 0.050 1 1731 163 163 CYS C C 167.236 0.400 1 1732 163 163 CYS CA C 51.055 0.400 1 1733 163 163 CYS CB C 21.63 0.400 1 1734 163 163 CYS N N 128.000 0.500 1 1735 164 164 LYS H H 8.581 0.050 1 1736 164 164 LYS HA H 5.21 0.050 1 1737 164 164 LYS HB2 H 1.115 0.050 1 1738 164 164 LYS HB3 H 0.949 0.050 1 1739 164 164 LYS HG2 H 0.726 0.050 1 1740 164 164 LYS HG3 H 0.7 0.050 1 1741 164 164 LYS HD2 H 0.981 0.050 1 1742 164 164 LYS HD3 H 0.947 0.050 1 1743 164 164 LYS HE2 H 2.269 0.050 1 1744 164 164 LYS HE3 H 2.229 0.050 1 1745 164 164 LYS C C 169.491 0.400 1 1746 164 164 LYS CA C 48.625 0.400 1 1747 164 164 LYS CB C 30.359 0.400 1 1748 164 164 LYS CG C 19.626 0.400 1 1749 164 164 LYS CD C 23.911 0.400 1 1750 164 164 LYS CE C 36.969 0.400 1 1751 164 164 LYS N N 128.044 0.500 1 1752 165 165 ALA H H 9.074 0.050 1 1753 165 165 ALA HA H 5.308 0.050 1 1754 165 165 ALA HB H 1.254 0.050 1 1755 165 165 ALA C C 169.299 0.400 1 1756 165 165 ALA CA C 45.573 0.400 1 1757 165 165 ALA CB C 19.563 0.400 1 1758 165 165 ALA N N 129.913 0.500 1 1759 166 166 GLN H H 8.743 0.050 1 1760 166 166 GLN HA H 5.44 0.050 1 1761 166 166 GLN HB2 H 1.426 0.050 1 1762 166 166 GLN HB3 H 1.426 0.050 1 1763 166 166 GLN HG2 H 1.692 0.050 1 1764 166 166 GLN HG3 H 1.692 0.050 1 1765 166 166 GLN HE21 H 6.836 0.050 1 1766 166 166 GLN HE22 H 6.69 0.050 1 1767 166 166 GLN C C 168.184 0.400 1 1768 166 166 GLN CA C 48.813 0.400 1 1769 166 166 GLN CB C 29.261 0.400 1 1770 166 166 GLN CG C 26.633 0.400 1 1771 166 166 GLN N N 116.381 0.500 1 1772 166 166 GLN NE2 N 112.712 0.500 1 1773 167 167 ALA H H 8.097 0.050 1 1774 167 167 ALA HA H 4.507 0.050 1 1775 167 167 ALA HB H 1.29 0.050 1 1776 167 167 ALA C C 171.679 0.400 1 1777 167 167 ALA CA C 47.2 0.400 1 1778 167 167 ALA CB C 19.024 0.400 1 1779 167 167 ALA N N 116.758 0.500 1 1780 168 168 GLY H H 8.823 0.050 1 1781 168 168 GLY HA2 H 3.986 0.050 1 1782 168 168 GLY HA3 H 3.663 0.050 1 1783 168 168 GLY C C 171.507 0.400 1 1784 168 168 GLY CA C 39.987 0.400 1 1785 168 168 GLY N N 108.348 0.500 1 1786 169 169 ASP H H 8.088 0.050 1 1787 169 169 ASP HA H 3.836 0.050 1 1788 169 169 ASP HB2 H 2.356 0.050 1 1789 169 169 ASP HB3 H 2.37 0.050 1 1790 169 169 ASP C C 172.452 0.400 1 1791 169 169 ASP CA C 53.349 0.400 1 1792 169 169 ASP CB C 36.076 0.400 1 1793 169 169 ASP N N 123.772 0.500 1 1794 170 170 LYS H H 8.352 0.050 1 1795 170 170 LYS HA H 3.816 0.050 1 1796 170 170 LYS HB2 H 1.522 0.050 1 1797 170 170 LYS HB3 H 1.433 0.050 1 1798 170 170 LYS HG2 H 1.198 0.050 1 1799 170 170 LYS HG3 H 1.071 0.050 1 1800 170 170 LYS HD2 H 1.176 0.050 1 1801 170 170 LYS HD3 H 1.176 0.050 1 1802 170 170 LYS HE2 H 2.602 0.050 1 1803 170 170 LYS HE3 H 2.597 0.050 1 1804 170 170 LYS C C 173.872 0.400 1 1805 170 170 LYS CA C 54.365 0.400 1 1806 170 170 LYS CB C 26.712 0.400 1 1807 170 170 LYS CG C 20.093 0.400 1 1808 170 170 LYS CD C 23.864 0.400 1 1809 170 170 LYS CE C 36.734 0.400 1 1810 170 170 LYS N N 116.971 0.500 1 1811 171 171 ARG H H 7.3 0.050 1 1812 171 171 ARG HA H 3.869 0.050 1 1813 171 171 ARG HB2 H 1.58 0.050 1 1814 171 171 ARG HB3 H 1.593 0.050 1 1815 171 171 ARG HG2 H 1.463 0.050 1 1816 171 171 ARG HG3 H 1.448 0.050 1 1817 171 171 ARG HD2 H 2.83 0.050 1 1818 171 171 ARG HD3 H 2.801 0.050 1 1819 171 171 ARG HE H 7.45 0.050 1 1820 171 171 ARG C C 174.002 0.400 1 1821 171 171 ARG CA C 51.437 0.400 1 1822 171 171 ARG CB C 24.595 0.400 1 1823 171 171 ARG CG C 21.965 0.400 1 1824 171 171 ARG CD C 37.391 0.400 1 1825 171 171 ARG N N 115.424 0.500 1 1826 172 172 TRP H H 8.548 0.050 1 1827 172 172 TRP HA H 3.445 0.050 1 1828 172 172 TRP HB2 H 2.574 0.050 1 1829 172 172 TRP HB3 H 2.556 0.050 1 1830 172 172 TRP HD1 H 7.011 0.050 1 1831 172 172 TRP HE1 H 7.412 0.050 1 1832 172 172 TRP HZ2 H 6.948 0.050 1 1833 172 172 TRP C C 172.291 0.400 1 1834 172 172 TRP CA C 56.217 0.400 1 1835 172 172 TRP CB C 24.562 0.400 1 1836 172 172 TRP CZ2 C 110.432 0.400 1 1837 172 172 TRP N N 123.6 0.500 1 1838 172 172 TRP NE1 N 130.701 0.500 1 1839 173 173 PHE H H 7.588 0.050 1 1840 173 173 PHE HA H 3.991 0.050 1 1841 173 173 PHE HB2 H 3.114 0.050 1 1842 173 173 PHE HB3 H 2.549 0.050 1 1843 173 173 PHE HD1 H 7.122 0.050 1 1844 173 173 PHE HD2 H 7.122 0.050 1 1845 173 173 PHE HE1 H 7.115 0.050 1 1846 173 173 PHE HE2 H 7.115 0.050 1 1847 173 173 PHE C C 170.095 0.400 1 1848 173 173 PHE CA C 55.074 0.400 1 1849 173 173 PHE CB C 33.215 0.400 1 1850 173 173 PHE N N 113.47 0.500 1 1851 174 174 LYS H H 7.085 0.050 1 1852 174 174 LYS HA H 4.15 0.050 1 1853 174 174 LYS HB2 H 1.801 0.050 1 1854 174 174 LYS HB3 H 1.776 0.050 1 1855 174 174 LYS HG2 H 0.968 0.050 1 1856 174 174 LYS HG3 H 1.027 0.050 1 1857 174 174 LYS HD2 H 1.313 0.050 1 1858 174 174 LYS HD3 H 1.248 0.050 1 1859 174 174 LYS HE2 H 2.591 0.050 1 1860 174 174 LYS HE3 H 2.62 0.050 1 1861 174 174 LYS C C 171.017 0.400 1 1862 174 174 LYS CA C 50.145 0.400 1 1863 174 174 LYS CB C 27.683 0.400 1 1864 174 174 LYS CG C 19.775 0.400 1 1865 174 174 LYS CD C 23.605 0.400 1 1866 174 174 LYS CE C 36.918 0.400 1 1867 174 174 LYS N N 119.539 0.500 1 1868 175 175 GLY H H 7.009 0.050 1 1869 175 175 GLY HA2 H 4.098 0.050 1 1870 175 175 GLY HA3 H 3.12 0.050 1 1871 175 175 GLY C C 169.822 0.400 1 1872 175 175 GLY CA C 40.185 0.400 1 1873 175 175 GLY N N 105.96 0.500 1 1874 176 176 ALA H H 7.738 0.050 1 1875 176 176 ALA HA H 3.965 0.050 1 1876 176 176 ALA HB H 0.964 0.050 1 1877 176 176 ALA C C 172.584 0.400 1 1878 176 176 ALA CA C 49.719 0.400 1 1879 176 176 ALA CB C 13.31 0.400 1 1880 176 176 ALA N N 121.475 0.500 1 1881 177 177 LYS H H 6.98 0.050 1 1882 177 177 LYS HA H 1.576 0.050 1 1883 177 177 LYS HB2 H 0.169 0.050 1 1884 177 177 LYS HB3 H -3.038 0.050 1 1885 177 177 LYS HG2 H 0.032 0.050 1 1886 177 177 LYS HG3 H -0.1 0.050 1 1887 177 177 LYS HD2 H 0.72 0.050 1 1888 177 177 LYS HD3 H 0.555 0.050 1 1889 177 177 LYS HE2 H 2.497 0.050 1 1890 177 177 LYS HE3 H 2.463 0.050 1 1891 177 177 LYS C C 171.066 0.400 1 1892 177 177 LYS CA C 53.82 0.400 1 1893 177 177 LYS CB C 27.145 0.400 1 1894 177 177 LYS CG C 17.985 0.400 1 1895 177 177 LYS CD C 24.787 0.400 1 1896 177 177 LYS CE C 36.851 0.400 1 1897 177 177 LYS N N 118.778 0.500 1 1898 178 178 LYS H H 6.51 0.050 1 1899 178 178 LYS HA H 3.526 0.050 1 1900 178 178 LYS HB2 H 0.667 0.050 1 1901 178 178 LYS HB3 H 0.379 0.050 1 1902 178 178 LYS HG2 H 0.669 0.050 1 1903 178 178 LYS HG3 H 0.565 0.050 1 1904 178 178 LYS HD2 H 1.034 0.050 1 1905 178 178 LYS HD3 H 1.003 0.050 1 1906 178 178 LYS HE2 H 2.247 0.050 1 1907 178 178 LYS HE3 H 2.231 0.050 1 1908 178 178 LYS C C 174.132 0.400 1 1909 178 178 LYS CA C 53.25 0.400 1 1910 178 178 LYS CB C 26.689 0.400 1 1911 178 178 LYS CG C 19.07 0.400 1 1912 178 178 LYS CD C 23.826 0.400 1 1913 178 178 LYS CE C 36.611 0.400 1 1914 178 178 LYS N N 115.208 0.500 1 1915 179 179 PHE H H 6.43 0.050 1 1916 179 179 PHE HA H 3.968 0.050 1 1917 179 179 PHE HB2 H 2.676 0.050 1 1918 179 179 PHE HB3 H 2.697 0.050 1 1919 179 179 PHE HD1 H 6.644 0.050 1 1920 179 179 PHE HD2 H 6.644 0.050 1 1921 179 179 PHE HE1 H 6.713 0.050 1 1922 179 179 PHE HE2 H 6.713 0.050 1 1923 179 179 PHE C C 171.678 0.400 1 1924 179 179 PHE CA C 54.967 0.400 1 1925 179 179 PHE CB C 33.091 0.400 1 1926 179 179 PHE CD1 C 128.566 0.400 1 1927 179 179 PHE CE1 C 126.383 0.400 1 1928 179 179 PHE N N 117.997 0.500 1 1929 180 180 VAL H H 7.733 0.050 1 1930 180 180 VAL HA H 3.123 0.050 1 1931 180 180 VAL HB H 1.773 0.050 1 1932 180 180 VAL HG1 H 0.702 0.050 1 1933 180 180 VAL HG2 H 0.757 0.050 1 1934 180 180 VAL C C 173.379 0.400 1 1935 180 180 VAL CA C 61.442 0.400 1 1936 180 180 VAL CB C 26.774 0.400 1 1937 180 180 VAL CG1 C 17.51 0.400 1 1938 180 180 VAL CG2 C 16.574 0.400 1 1939 180 180 VAL N N 118.412 0.500 1 1940 181 181 GLU H H 8.264 0.050 1 1941 181 181 GLU HA H 3.475 0.050 1 1942 181 181 GLU HB2 H 1.493 0.050 1 1943 181 181 GLU HB3 H 1.463 0.050 1 1944 181 181 GLU HG2 H 1.739 0.050 1 1945 181 181 GLU HG3 H 2.032 0.050 1 1946 181 181 GLU C C 173.963 0.400 1 1947 181 181 GLU CA C 54.495 0.400 1 1948 181 181 GLU CB C 23.618 0.400 1 1949 181 181 GLU CG C 32.292 0.400 1 1950 181 181 GLU N N 118.225 0.500 1 1951 182 182 SER H H 7.453 0.050 1 1952 182 182 SER HA H 3.559 0.050 1 1953 182 182 SER HB2 H 3.273 0.050 1 1954 182 182 SER HB3 H 2.549 0.050 1 1955 182 182 SER C C 170.899 0.400 1 1956 182 182 SER CA C 57.174 0.400 1 1957 182 182 SER CB C 57.975 0.400 1 1958 182 182 SER N N 114.324 0.500 1 1959 183 183 ALA H H 7.327 0.050 1 1960 183 183 ALA HA H 3.915 0.050 1 1961 183 183 ALA HB H 0.962 0.050 1 1962 183 183 ALA C C 174.4 0.400 1 1963 183 183 ALA CA C 50.147 0.400 1 1964 183 183 ALA CB C 13.937 0.400 1 1965 183 183 ALA N N 123.142 0.500 1 1966 184 184 THR H H 7.069 0.050 1 1967 184 184 THR HA H 3.571 0.050 1 1968 184 184 THR HB H 3.609 0.050 1 1969 184 184 THR HG2 H 0.87 0.050 1 1970 184 184 THR C C 172.49 0.400 1 1971 184 184 THR CA C 60.37 0.400 1 1972 184 184 THR CB C 63.587 0.400 1 1973 184 184 THR CG2 C 18.413 0.400 1 1974 184 184 THR N N 105.487 0.500 1 1975 185 185 SER H H 7.692 0.050 1 1976 185 185 SER HA H 3.837 0.050 1 1977 185 185 SER HB2 H 3.467 0.050 1 1978 185 185 SER HB3 H 3.413 0.050 1 1979 185 185 SER C C 169.857 0.400 1 1980 185 185 SER CA C 56.096 0.400 1 1981 185 185 SER CB C 58.302 0.400 1 1982 185 185 SER N N 116.292 0.500 1 1983 186 186 SER H H 7.018 0.050 1 1984 186 186 SER HA H 3.777 0.050 1 1985 186 186 SER HB2 H 3.57 0.050 1 1986 186 186 SER HB3 H 3.421 0.050 1 1987 186 186 SER C C 168.439 0.400 1 1988 186 186 SER CA C 53.796 0.400 1 1989 186 186 SER CB C 58.31 0.400 1 1990 186 186 SER N N 114.530 0.500 1 1991 187 187 PHE H H 6.586 0.050 1 1992 187 187 PHE HA H 4.648 0.050 1 1993 187 187 PHE HB2 H 2.876 0.050 1 1994 187 187 PHE HB3 H 2.7 0.050 1 1995 187 187 PHE HD1 H 6.741 0.050 1 1996 187 187 PHE HD2 H 6.741 0.050 1 1997 187 187 PHE HE1 H 6.649 0.050 1 1998 187 187 PHE HE2 H 6.649 0.050 1 1999 187 187 PHE C C 169.297 0.400 1 2000 187 187 PHE CA C 53.098 0.400 1 2001 187 187 PHE CB C 33.628 0.400 1 2002 187 187 PHE N N 124.360 0.500 1 2003 188 188 SER H H 8.214 0.050 1 2004 188 188 SER HA H 4.301 0.050 1 2005 188 188 SER HB2 H 3.132 0.050 1 2006 188 188 SER HB3 H 3.061 0.050 1 2007 188 188 SER C C 168.18 0.400 1 2008 188 188 SER CA C 51.034 0.400 1 2009 188 188 SER CB C 60.124 0.400 1 2010 188 188 SER N N 121.826 0.500 1 2011 189 189 VAL H H 7.142 0.050 1 2012 189 189 VAL HA H 3.83 0.050 1 2013 189 189 VAL HB H 1.135 0.050 1 2014 189 189 VAL HG1 H -0.14 0.050 1 2015 189 189 VAL HG2 H -0.28 0.050 1 2016 189 189 VAL C C 169.494 0.400 1 2017 189 189 VAL CA C 55.722 0.400 1 2018 189 189 VAL CB C 27.323 0.400 1 2019 189 189 VAL CG1 C 15.669 0.400 1 2020 189 189 VAL CG2 C 15.138 0.400 1 2021 189 189 VAL N N 121.681 0.500 1 2022 190 190 ALA H H 7.172 0.050 1 2023 190 190 ALA HA H 3.465 0.050 1 2024 190 190 ALA HB H 0.722 0.050 1 2025 190 190 ALA CA C 48.877 0.400 1 2026 190 190 ALA CB C 14.664 0.400 1 2027 190 190 ALA N N 133.057 0.500 1 stop_ save_