data_34489 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Designing a Granulopoietic Protein by Topological Rescaffolding 1: Sohair ; _BMRB_accession_number 34489 _BMRB_flat_file_name bmr34489.str _Entry_type original _Submission_date 2020-02-06 _Accession_date 2020-02-06 _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 ElGamacy M. . . 2 Coles M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 644 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-16 original BMRB . stop_ _Original_release_date 2020-03-11 save_ ############################# # Citation for this entry # ############################# save_citation_2 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Designing of novel granulopoietic proteins by topological rescaffolding ; _Citation_status 'in preparation' _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 ElGamacy M. . . 2 Coles M. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Mapping Local Conformational Landscapes of Proteins in Solution. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30930065 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 ElGamacy M. . . 2 Riss M. . . 3 Zhu H. . . 4 Truffault V. . . 5 Coles M. . . stop_ _Journal_abbreviation Structure _Journal_name_full . _Journal_volume 27 _Journal_issue 5 _Journal_CSD 2005 _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 853 _Page_last 865 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sohair _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 20297.090 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MMTSDYIIEQIQRKQEEARL KVEEMERKLEAVKEASKRGV SSDQLLNLILDLADIITTLI QIIEESNEAIKELIKNQKGP TSDYIIEQIQRDQEEARKKV EEAEERLERVKEASKRGVSS DQLLDLIRELAEIIEELIRI IRRSNEAIKELIKNQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 0 MET 22 1 MET 23 2 THR 24 3 SER 25 4 ASP 26 5 TYR 27 6 ILE 28 7 ILE 29 8 GLU 30 9 GLN 31 10 ILE 32 11 GLN 33 12 ARG 34 13 LYS 35 14 GLN 36 15 GLU 37 16 GLU 38 17 ALA 39 18 ARG 40 19 LEU 41 20 LYS 42 21 VAL 43 22 GLU 44 23 GLU 45 24 MET 46 25 GLU 47 26 ARG 48 27 LYS 49 28 LEU 50 29 GLU 51 30 ALA 52 31 VAL 53 32 LYS 54 33 GLU 55 34 ALA 56 35 SER 57 36 LYS 58 37 ARG 59 38 GLY 60 39 VAL 61 40 SER 62 41 SER 63 42 ASP 64 43 GLN 65 44 LEU 66 45 LEU 67 46 ASN 68 47 LEU 69 48 ILE 70 49 LEU 71 50 ASP 72 51 LEU 73 52 ALA 74 53 ASP 75 54 ILE 76 55 ILE 77 56 THR 78 57 THR 79 58 LEU 80 59 ILE 81 60 GLN 82 61 ILE 83 62 ILE 84 63 GLU 85 64 GLU 86 65 SER 87 66 ASN 88 67 GLU 89 68 ALA 90 69 ILE 91 70 LYS 92 71 GLU 93 72 LEU 94 73 ILE 95 74 LYS 96 75 ASN 97 76 GLN 98 77 LYS 99 78 GLY 100 79 PRO 101 80 THR 102 81 SER 103 82 ASP 104 83 TYR 105 84 ILE 106 85 ILE 107 86 GLU 108 87 GLN 109 88 ILE 110 89 GLN 111 90 ARG 112 91 ASP 113 92 GLN 114 93 GLU 115 94 GLU 116 95 ALA 117 96 ARG 118 97 LYS 119 98 LYS 120 99 VAL 121 100 GLU 122 101 GLU 123 102 ALA 124 103 GLU 125 104 GLU 126 105 ARG 127 106 LEU 128 107 GLU 129 108 ARG 130 109 VAL 131 110 LYS 132 111 GLU 133 112 ALA 134 113 SER 135 114 LYS 136 115 ARG 137 116 GLY 138 117 VAL 139 118 SER 140 119 SER 141 120 ASP 142 121 GLN 143 122 LEU 144 123 LEU 145 124 ASP 146 125 LEU 147 126 ILE 148 127 ARG 149 128 GLU 150 129 LEU 151 130 ALA 152 131 GLU 153 132 ILE 154 133 ILE 155 134 GLU 156 135 GLU 157 136 LEU 158 137 ILE 159 138 ARG 160 139 ILE 161 140 ILE 162 141 ARG 163 142 ARG 164 143 SER 165 144 ASN 166 145 GLU 167 146 ALA 168 147 ILE 169 148 LYS 170 149 GLU 171 150 LEU 172 151 ILE 173 152 LYS 174 153 ASN 175 154 GLN 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 $entity_1 . 32630 . . . . 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '650 uM [U-99% 13C; U-99% 15N] sohair, 50 mM PBS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 650 uM '[U-99% 13C; U-99% 15N]' PBS 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Rosetta _Version . loop_ _Vendor _Address _Electronic_address Baker . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CoMAND _Version . loop_ _Vendor _Address _Electronic_address 'in house' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _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_CCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_3D_CNH-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH-NOESY' _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_NNH-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NNH-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 5.2 . pH pressure 1 . atm temperature 315 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D (H)CC(CO)NH' '3D H(CCO)NH' '3D CCH-TOCSY' '2D NOESY' '3D CNH-NOESY' '3D 1H-15N NOESY' '3D NNH-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 22 MET H H 8.45 0.02 1 2 1 22 MET HA H 4.64 0.02 1 3 1 22 MET HB2 H 2.21 0.02 1 4 1 22 MET HB3 H 2.02 0.02 1 5 1 22 MET HG2 H 2.64 0.02 1 6 1 22 MET HG3 H 2.57 0.02 1 7 1 22 MET HE H 2.15 0.02 1 8 1 22 MET C C 176.25 0.05 1 9 1 22 MET CA C 55.7 0.05 1 10 1 22 MET CB C 33.35 0.05 1 11 1 22 MET CG C 32.16 0.05 1 12 1 22 MET CE C 17.2 0.05 1 13 1 22 MET N N 121.54 0.05 1 14 2 23 THR H H 8.15 0.02 1 15 2 23 THR HA H 4.53 0.02 1 16 2 23 THR HB H 4.49 0.02 1 17 2 23 THR HG2 H 1.39 0.02 1 18 2 23 THR C C 175.11 0.05 1 19 2 23 THR CA C 61.93 0.05 1 20 2 23 THR CB C 70.13 0.05 1 21 2 23 THR CG2 C 22.09 0.05 1 22 2 23 THR N N 114.53 0.05 1 23 3 24 SER H H 8.6 0.02 1 24 3 24 SER HA H 4.44 0.02 1 25 3 24 SER HB2 H 4.05 0.02 1 26 3 24 SER HB3 H 4.05 0.02 1 27 3 24 SER C C 175.04 0.05 1 28 3 24 SER CA C 59.99 0.05 1 29 3 24 SER CB C 63.45 0.05 1 30 3 24 SER N N 117.36 0.05 1 31 4 25 ASP H H 8.42 0.02 1 32 4 25 ASP HA H 4.57 0.02 1 33 4 25 ASP HB2 H 2.75 0.02 1 34 4 25 ASP HB3 H 2.75 0.02 1 35 4 25 ASP C C 177.41 0.05 1 36 4 25 ASP CA C 56.24 0.05 1 37 4 25 ASP CB C 40.61 0.05 1 38 4 25 ASP N N 121.19 0.05 1 39 5 26 TYR H H 8.05 0.02 1 40 5 26 TYR HA H 4.47 0.02 1 41 5 26 TYR HB2 H 3.22 0.02 1 42 5 26 TYR HB3 H 3.22 0.02 1 43 5 26 TYR C C 177.43 0.05 1 44 5 26 TYR CA C 60.48 0.05 1 45 5 26 TYR CB C 38.46 0.05 1 46 5 26 TYR CD1 C 132.4 0.05 1 47 5 26 TYR CD2 C 132.4 0.05 1 48 5 26 TYR N N 120.76 0.05 1 49 6 27 ILE H H 7.86 0.02 1 50 6 27 ILE HA H 3.91 0.02 1 51 6 27 ILE HB H 1.96 0.02 1 52 6 27 ILE C C 177.85 0.05 1 53 6 27 ILE CA C 63.94 0.05 1 54 6 27 ILE CB C 37.77 0.05 1 55 6 27 ILE CG1 C 28.89 0.05 1 56 6 27 ILE N N 120.52 0.05 1 57 7 28 ILE H H 7.92 0.02 1 58 7 28 ILE HA H 3.73 0.02 1 59 7 28 ILE HB H 2.05 0.02 1 60 7 28 ILE C C 179.9 0.05 1 61 7 28 ILE CA C 64.67 0.05 1 62 7 28 ILE CB C 37.14 0.05 1 63 7 28 ILE CG1 C 29.32 0.05 1 64 7 28 ILE N N 120.55 0.05 1 65 8 29 GLU H H 8.2 0.02 1 66 8 29 GLU HA H 4.18 0.02 1 67 8 29 GLU C C 179.09 0.05 1 68 8 29 GLU CA C 59.57 0.05 1 69 8 29 GLU CB C 29.18 0.05 1 70 8 29 GLU CG C 35.9 0.05 1 71 8 29 GLU N N 119.29 0.05 1 72 9 30 GLN H H 7.69 0.02 1 73 9 30 GLN HE21 H 7.13 0.02 1 74 9 30 GLN HE22 H 6.89 0.02 1 75 9 30 GLN C C 178.87 0.05 1 76 9 30 GLN CA C 59.05 0.05 1 77 9 30 GLN CB C 28.63 0.05 1 78 9 30 GLN CG C 33.87 0.05 1 79 9 30 GLN N N 119.24 0.05 1 80 9 30 GLN NE2 N 112.05 0.05 1 81 10 31 ILE H H 8.34 0.02 1 82 10 31 ILE HA H 3.93 0.02 1 83 10 31 ILE C C 178.67 0.05 1 84 10 31 ILE CA C 65.3 0.05 1 85 10 31 ILE CB C 38.19 0.05 1 86 10 31 ILE CG1 C 29.51 0.05 1 87 10 31 ILE N N 120.08 0.05 1 88 11 32 GLN H H 8.68 0.02 1 89 11 32 GLN HE21 H 7.36 0.02 1 90 11 32 GLN HE22 H 6.54 0.02 1 91 11 32 GLN C C 179.9 0.05 1 92 11 32 GLN CA C 59.89 0.05 1 93 11 32 GLN CB C 28.83 0.05 1 94 11 32 GLN CG C 34.64 0.05 1 95 11 32 GLN N N 119.77 0.05 1 96 11 32 GLN NE2 N 109.18 0.05 1 97 12 33 ARG H H 8.13 0.02 1 98 12 33 ARG HA H 3.36 0.02 1 99 12 33 ARG C C 179.51 0.05 1 100 12 33 ARG CA C 59.55 0.05 1 101 12 33 ARG CB C 29.92 0.05 1 102 12 33 ARG CG C 27.32 0.05 1 103 12 33 ARG CD C 43.41 0.05 1 104 12 33 ARG N N 120.04 0.05 1 105 13 34 LYS H H 8.24 0.02 1 106 13 34 LYS HA H 4.22 0.02 1 107 13 34 LYS C C 179.99 0.05 1 108 13 34 LYS CA C 58.93 0.05 1 109 13 34 LYS CB C 31.77 0.05 1 110 13 34 LYS CG C 25.32 0.05 1 111 13 34 LYS CD C 28.76 0.05 1 112 13 34 LYS CE C 42.09 0.05 1 113 13 34 LYS N N 119.92 0.05 1 114 14 35 GLN H H 8.75 0.02 1 115 14 35 GLN HA H 4.09 0.02 1 116 14 35 GLN HE21 H 7.55 0.02 1 117 14 35 GLN HE22 H 6.61 0.02 1 118 14 35 GLN C C 179.99 0.05 1 119 14 35 GLN CA C 58.98 0.05 1 120 14 35 GLN CB C 28.87 0.05 1 121 14 35 GLN CG C 34.84 0.05 1 122 14 35 GLN N N 120.04 0.05 1 123 14 35 GLN NE2 N 110.71 0.05 1 124 15 36 GLU H H 7.96 0.02 1 125 15 36 GLU HA H 4.42 0.02 1 126 15 36 GLU C C 177 0.05 1 127 15 36 GLU CA C 59.1 0.05 1 128 15 36 GLU CB C 29.18 0.05 1 129 15 36 GLU CG C 35.52 0.05 1 130 15 36 GLU N N 122.18 0.05 1 131 16 37 GLU H H 8.04 0.02 1 132 16 37 GLU HA H 4.05 0.02 1 133 16 37 GLU C C 179.6 0.05 1 134 16 37 GLU CA C 59.52 0.05 1 135 16 37 GLU CB C 29.27 0.05 1 136 16 37 GLU CG C 36.17 0.05 1 137 16 37 GLU N N 119.54 0.05 1 138 17 38 ALA H H 8.43 0.02 1 139 17 38 ALA HA H 4.15 0.02 1 140 17 38 ALA HB H 1.61 0.02 1 141 17 38 ALA C C 179.08 0.05 1 142 17 38 ALA CA C 55.29 0.05 1 143 17 38 ALA CB C 18.31 0.05 1 144 17 38 ALA N N 121.64 0.05 1 145 18 39 ARG H H 8.1 0.02 1 146 18 39 ARG HA H 3.96 0.02 1 147 18 39 ARG C C 179.18 0.05 1 148 18 39 ARG CA C 59.92 0.05 1 149 18 39 ARG CB C 29.8 0.05 1 150 18 39 ARG CG C 27.42 0.05 1 151 18 39 ARG CD C 43.18 0.05 1 152 18 39 ARG N N 118.81 0.05 1 153 19 40 LEU H H 7.78 0.02 1 154 19 40 LEU HA H 4.22 0.02 1 155 19 40 LEU HD1 H 1.03 0.02 1 156 19 40 LEU HD2 H 0.99 0.02 1 157 19 40 LEU C C 180.29 0.05 1 158 19 40 LEU CA C 58.02 0.05 1 159 19 40 LEU CB C 41.67 0.05 1 160 19 40 LEU CG C 27.2 0.05 1 161 19 40 LEU CD1 C 25.23 0.05 1 162 19 40 LEU CD2 C 23.23 0.05 1 163 19 40 LEU N N 119.16 0.05 1 164 20 41 LYS H H 8.18 0.02 1 165 20 41 LYS HA H 4.22 0.02 1 166 20 41 LYS C C 179.99 0.05 1 167 20 41 LYS CA C 58.86 0.05 1 168 20 41 LYS CB C 32.07 0.05 1 169 20 41 LYS CG C 25.19 0.05 1 170 20 41 LYS CD C 28.64 0.05 1 171 20 41 LYS CE C 42.05 0.05 1 172 20 41 LYS N N 120.69 0.05 1 173 21 42 VAL H H 8.79 0.02 1 174 21 42 VAL HA H 3.58 0.02 1 175 21 42 VAL HG1 H 1.05 0.02 1 176 21 42 VAL HG2 H 1.16 0.02 1 177 21 42 VAL C C 178.79 0.05 1 178 21 42 VAL CA C 67.53 0.05 1 179 21 42 VAL CB C 31.53 0.05 1 180 21 42 VAL CG1 C 22.44 0.05 1 181 21 42 VAL CG2 C 24.68 0.05 1 182 21 42 VAL N N 120.29 0.05 1 183 22 43 GLU H H 7.97 0.02 1 184 22 43 GLU C C 179.58 0.05 1 185 22 43 GLU CA C 59.84 0.05 1 186 22 43 GLU CB C 29.05 0.05 1 187 22 43 GLU CG C 36.13 0.05 1 188 22 43 GLU N N 122.25 0.05 1 189 23 44 GLU H H 7.99 0.02 1 190 23 44 GLU C C 179.69 0.05 1 191 23 44 GLU CA C 59.85 0.05 1 192 23 44 GLU CB C 29.73 0.05 1 193 23 44 GLU CG C 35.9 0.05 1 194 23 44 GLU N N 120.23 0.05 1 195 24 45 MET H H 8.68 0.02 1 196 24 45 MET HE H 1.19 0.02 1 197 24 45 MET CA C 57.6 0.05 1 198 24 45 MET CB C 28.68 0.05 1 199 24 45 MET CG C 33.48 0.05 1 200 24 45 MET CE C 20.37 0.05 1 201 24 45 MET N N 119.73 0.05 1 202 26 47 ARG HA H 4.24 0.02 1 203 26 47 ARG CA C 59.79 0.05 1 204 26 47 ARG CB C 30.17 0.05 1 205 26 47 ARG CG C 27.8 0.05 1 206 26 47 ARG CD C 43.64 0.05 1 207 27 48 LYS H H 8.25 0.02 1 208 27 48 LYS HA H 3.96 0.02 1 209 27 48 LYS C C 178.8 0.05 1 210 27 48 LYS CA C 59.59 0.05 1 211 27 48 LYS CB C 32.47 0.05 1 212 27 48 LYS CG C 25.63 0.05 1 213 27 48 LYS CD C 29.36 0.05 1 214 27 48 LYS CE C 41.82 0.05 1 215 27 48 LYS N N 121.92 0.05 1 216 28 49 LEU H H 8.83 0.02 1 217 28 49 LEU CA C 57.97 0.05 1 218 28 49 LEU CB C 41.9 0.05 1 219 28 49 LEU CG C 27.16 0.05 1 220 28 49 LEU CD1 C 25.59 0.05 1 221 28 49 LEU CD2 C 23.62 0.05 1 222 28 49 LEU N N 121.31 0.05 1 223 29 50 GLU C C 179.21 0.05 1 224 29 50 GLU CA C 59.4 0.05 1 225 29 50 GLU CB C 29.17 0.05 1 226 29 50 GLU CG C 36.02 0.05 1 227 30 51 ALA H H 8.73 0.02 1 228 30 51 ALA HA H 4.05 0.02 1 229 30 51 ALA HB H 1.69 0.02 1 230 30 51 ALA C C 181.28 0.05 1 231 30 51 ALA CA C 55.52 0.05 1 232 30 51 ALA CB C 17.86 0.05 1 233 30 51 ALA N N 121.28 0.05 1 234 31 52 VAL H H 8.18 0.02 1 235 31 52 VAL HA H 3.84 0.02 1 236 31 52 VAL HB H 2.5 0.02 1 237 31 52 VAL HG1 H 1.03 0.02 1 238 31 52 VAL HG2 H 1.25 0.02 1 239 31 52 VAL C C 178.53 0.05 1 240 31 52 VAL CA C 66.43 0.05 1 241 31 52 VAL CB C 31.45 0.05 1 242 31 52 VAL CG1 C 21.47 0.05 1 243 31 52 VAL CG2 C 22.95 0.05 1 244 31 52 VAL N N 121.3 0.05 1 245 32 53 LYS H H 8.6 0.02 1 246 32 53 LYS HA H 3.96 0.02 1 247 32 53 LYS C C 179.56 0.05 1 248 32 53 LYS CA C 60.55 0.05 1 249 32 53 LYS CB C 32.3 0.05 1 250 32 53 LYS CG C 25.59 0.05 1 251 32 53 LYS CD C 29.53 0.05 1 252 32 53 LYS CE C 41.68 0.05 1 253 32 53 LYS N N 120.66 0.05 1 254 33 54 GLU H H 8.35 0.02 1 255 33 54 GLU HA H 4.1 0.02 1 256 33 54 GLU C C 178.12 0.05 1 257 33 54 GLU CA C 59.29 0.05 1 258 33 54 GLU CB C 29.31 0.05 1 259 33 54 GLU CG C 35.77 0.05 1 260 33 54 GLU N N 119.01 0.05 1 261 34 55 ALA H H 7.99 0.02 1 262 34 55 ALA HA H 4.24 0.02 1 263 34 55 ALA HB H 1.62 0.02 1 264 34 55 ALA C C 179.09 0.05 1 265 34 55 ALA CA C 54.47 0.05 1 266 34 55 ALA CB C 18.85 0.05 1 267 34 55 ALA N N 121.29 0.05 1 268 35 56 SER H H 8.05 0.02 1 269 35 56 SER HB2 H 4.03 0.02 1 270 35 56 SER HB3 H 4.04 0.02 1 271 35 56 SER C C 174.11 0.05 1 272 35 56 SER CA C 60.46 0.05 1 273 35 56 SER CB C 62.91 0.05 1 274 35 56 SER N N 112.18 0.05 1 275 36 57 LYS H H 7.45 0.02 1 276 36 57 LYS HA H 4.43 0.02 1 277 36 57 LYS C C 176.46 0.05 1 278 36 57 LYS CA C 56.89 0.05 1 279 36 57 LYS CB C 33.68 0.05 1 280 36 57 LYS CG C 24.91 0.05 1 281 36 57 LYS CD C 29.41 0.05 1 282 36 57 LYS CE C 42.27 0.05 1 283 36 57 LYS N N 121.43 0.05 1 284 37 58 ARG H H 7.86 0.02 1 285 37 58 ARG HA H 4.41 0.02 1 286 37 58 ARG C C 176.27 0.05 1 287 37 58 ARG CA C 56.91 0.05 1 288 37 58 ARG CB C 30.86 0.05 1 289 37 58 ARG CG C 27.58 0.05 1 290 37 58 ARG CD C 43.52 0.05 1 291 37 58 ARG N N 118.08 0.05 1 292 38 59 GLY H H 8.25 0.02 1 293 38 59 GLY HA2 H 4.26 0.02 1 294 38 59 GLY HA3 H 3.89 0.02 1 295 38 59 GLY C C 173.6 0.05 1 296 38 59 GLY CA C 45.81 0.05 1 297 38 59 GLY N N 109.67 0.05 1 298 39 60 VAL H H 7.75 0.02 1 299 39 60 VAL HA H 4.53 0.02 1 300 39 60 VAL HB H 2.32 0.02 1 301 39 60 VAL HG1 H 1.07 0.02 1 302 39 60 VAL HG2 H 1.01 0.02 1 303 39 60 VAL C C 174.89 0.05 1 304 39 60 VAL CA C 60.81 0.05 1 305 39 60 VAL CB C 33.82 0.05 1 306 39 60 VAL CG1 C 22.05 0.05 1 307 39 60 VAL CG2 C 19.91 0.05 1 308 39 60 VAL N N 117.02 0.05 1 309 40 61 SER H H 8.44 0.02 1 310 40 61 SER HA H 3.76 0.02 1 311 40 61 SER HB2 H 4.43 0.02 1 312 40 61 SER HB3 H 4.14 0.02 1 313 40 61 SER C C 174.23 0.05 1 314 40 61 SER CA C 57.77 0.05 1 315 40 61 SER CB C 65.06 0.05 1 316 40 61 SER N N 118.48 0.05 1 317 41 62 SER H H 9.04 0.02 1 318 41 62 SER HA H 4.13 0.02 1 319 41 62 SER C C 175.67 0.05 1 320 41 62 SER CA C 62.54 0.05 1 321 41 62 SER CB C 65.09 0.05 1 322 41 62 SER N N 117.67 0.05 1 323 42 63 ASP H H 8.51 0.02 1 324 42 63 ASP HA H 4.46 0.02 1 325 42 63 ASP HB2 H 3.03 0.02 1 326 42 63 ASP HB3 H 2.75 0.02 1 327 42 63 ASP C C 178.28 0.05 1 328 42 63 ASP CA C 56.92 0.05 1 329 42 63 ASP CB C 40.23 0.05 1 330 42 63 ASP N N 119.51 0.05 1 331 43 64 GLN H H 7.69 0.02 1 332 43 64 GLN HA H 4.3 0.02 1 333 43 64 GLN HE21 H 7.56 0.02 1 334 43 64 GLN HE22 H 6.84 0.02 1 335 43 64 GLN C C 178.8 0.05 1 336 43 64 GLN CA C 58.22 0.05 1 337 43 64 GLN CB C 28.72 0.05 1 338 43 64 GLN CG C 34.08 0.05 1 339 43 64 GLN N N 119.24 0.05 1 340 43 64 GLN NE2 N 111.32 0.05 1 341 44 65 LEU H H 8.19 0.02 1 342 44 65 LEU HA H 3.16 0.02 1 343 44 65 LEU HD2 H 0.93 0.02 1 344 44 65 LEU C C 178.58 0.05 1 345 44 65 LEU CA C 58.51 0.05 1 346 44 65 LEU CB C 41.87 0.05 1 347 44 65 LEU CG C 27.04 0.05 1 348 44 65 LEU CD1 C 25.86 0.05 1 349 44 65 LEU CD2 C 24.17 0.05 1 350 44 65 LEU N N 120.73 0.05 1 351 45 66 LEU HA H 4.11 0.02 1 352 45 66 LEU HB2 H 1.96 0.02 1 353 45 66 LEU HB3 H 1.77 0.02 1 354 45 66 LEU HD1 H 1.03 0.02 1 355 45 66 LEU HD2 H 1.07 0.02 1 356 45 66 LEU C C 179.23 0.05 1 357 45 66 LEU CA C 58.2 0.05 1 358 45 66 LEU CB C 41.12 0.05 1 359 45 66 LEU CG C 27.15 0.05 1 360 45 66 LEU CD1 C 25.88 0.05 1 361 45 66 LEU CD2 C 24.22 0.05 1 362 45 66 LEU N N 118.01 0.05 1 363 46 67 ASN H H 7.55 0.02 1 364 46 67 ASN HD21 H 7.52 0.02 1 365 46 67 ASN HD22 H 6.92 0.02 1 366 46 67 ASN C C 178.1 0.05 1 367 46 67 ASN CA C 56.41 0.05 1 368 46 67 ASN CB C 38.16 0.05 1 369 46 67 ASN N N 116.92 0.05 1 370 46 67 ASN ND2 N 111.72 0.05 1 371 47 68 LEU H H 7.95 0.02 1 372 47 68 LEU HD1 H 1.01 0.02 1 373 47 68 LEU C C 179.24 0.05 1 374 47 68 LEU CA C 58.35 0.05 1 375 47 68 LEU CB C 41.35 0.05 1 376 47 68 LEU CG C 26.91 0.05 1 377 47 68 LEU CD1 C 25.53 0.05 1 378 47 68 LEU CD2 C 23.29 0.05 1 379 47 68 LEU N N 119.94 0.05 1 380 48 69 ILE H H 7.97 0.02 1 381 48 69 ILE C C 179.34 0.05 1 382 48 69 ILE CA C 66.08 0.05 1 383 48 69 ILE CB C 37.67 0.05 1 384 48 69 ILE CG1 C 28.97 0.05 1 385 48 69 ILE N N 119.34 0.05 1 386 49 70 LEU H H 7.88 0.02 1 387 49 70 LEU HD1 H 0.99 0.02 1 388 49 70 LEU HD2 H 0.94 0.02 1 389 49 70 LEU C C 179.33 0.05 1 390 49 70 LEU CA C 58.15 0.05 1 391 49 70 LEU CB C 40.74 0.05 1 392 49 70 LEU CG C 27.28 0.05 1 393 49 70 LEU CD1 C 24.99 0.05 1 394 49 70 LEU CD2 C 23.56 0.05 1 395 49 70 LEU N N 119.62 0.05 1 396 50 71 ASP H H 8.11 0.02 1 397 50 71 ASP C C 179.41 0.05 1 398 50 71 ASP CA C 57.82 0.05 1 399 50 71 ASP CB C 40.31 0.05 1 400 50 71 ASP N N 120.97 0.05 1 401 51 72 LEU H H 8.29 0.02 1 402 51 72 LEU HA H 4.14 0.02 1 403 51 72 LEU HD1 H 1.03 0.02 1 404 51 72 LEU HD2 H 0.94 0.02 1 405 51 72 LEU C C 178.68 0.05 1 406 51 72 LEU CA C 58.06 0.05 1 407 51 72 LEU CB C 41.53 0.05 1 408 51 72 LEU CG C 26.91 0.05 1 409 51 72 LEU CD1 C 25.26 0.05 1 410 51 72 LEU CD2 C 23.64 0.05 1 411 51 72 LEU N N 119.57 0.05 1 412 52 73 ALA H H 8.69 0.02 1 413 52 73 ALA HA H 4.12 0.02 1 414 52 73 ALA HB H 1.67 0.02 1 415 52 73 ALA C C 178.73 0.05 1 416 52 73 ALA CA C 55.59 0.05 1 417 52 73 ALA CB C 18.21 0.05 1 418 52 73 ALA N N 122.02 0.05 1 419 53 74 ASP H H 8.09 0.02 1 420 53 74 ASP HA H 4.12 0.02 1 421 53 74 ASP CA C 57.58 0.05 1 422 53 74 ASP CB C 41.18 0.05 1 423 53 74 ASP N N 119.5 0.05 1 424 54 75 ILE C C 177.98 0.05 1 425 54 75 ILE CA C 65.65 0.05 1 426 54 75 ILE CB C 38.54 0.05 1 427 54 75 ILE CG1 C 29.01 0.05 1 428 55 76 ILE H H 8.38 0.02 1 429 55 76 ILE HA H 3.56 0.02 1 430 55 76 ILE C C 177.08 0.05 1 431 55 76 ILE CA C 67.29 0.05 1 432 55 76 ILE CB C 37.81 0.05 1 433 55 76 ILE CG1 C 31.03 0.05 1 434 55 76 ILE N N 119.5 0.05 1 435 56 77 THR H H 8.48 0.02 1 436 56 77 THR HA H 4.45 0.02 1 437 56 77 THR HB H 4.49 0.02 1 438 56 77 THR HG2 H 1.35 0.02 1 439 56 77 THR C C 178.68 0.05 1 440 56 77 THR CA C 67.32 0.05 1 441 56 77 THR CB C 68.84 0.05 1 442 56 77 THR CG2 C 21.95 0.05 1 443 56 77 THR N N 114.98 0.05 1 444 57 78 THR H H 8.04 0.02 1 445 57 78 THR HA H 4.1 0.02 1 446 57 78 THR HB H 4.46 0.02 1 447 57 78 THR HG2 H 1.37 0.02 1 448 57 78 THR C C 176.29 0.05 1 449 57 78 THR CA C 67.17 0.05 1 450 57 78 THR CB C 68.77 0.05 1 451 57 78 THR CG2 C 21.48 0.05 1 452 57 78 THR N N 119.56 0.05 1 453 58 79 LEU H H 8.62 0.02 1 454 58 79 LEU HA H 4.12 0.02 1 455 58 79 LEU HD1 H 0.94 0.02 1 456 58 79 LEU HD2 H 0.85 0.02 1 457 58 79 LEU C C 178.82 0.05 1 458 58 79 LEU CA C 58.44 0.05 1 459 58 79 LEU CB C 40.96 0.05 1 460 58 79 LEU CG C 28.09 0.05 1 461 58 79 LEU CD1 C 26.12 0.05 1 462 58 79 LEU CD2 C 22.62 0.05 1 463 58 79 LEU N N 121.05 0.05 1 464 59 80 ILE H H 8.7 0.02 1 465 59 80 ILE C C 179.01 0.05 1 466 59 80 ILE CA C 66.78 0.05 1 467 59 80 ILE CB C 38.08 0.05 1 468 59 80 ILE CG1 C 28.7 0.05 1 469 59 80 ILE N N 119.46 0.05 1 470 60 81 GLN H H 7.47 0.02 1 471 60 81 GLN HA H 4.01 0.02 1 472 60 81 GLN C C 179.01 0.05 1 473 60 81 GLN CA C 59.29 0.05 1 474 60 81 GLN CB C 27.91 0.05 1 475 60 81 GLN CG C 33.78 0.05 1 476 60 81 GLN N N 119.05 0.05 1 477 61 82 ILE H H 8.34 0.02 1 478 61 82 ILE HA H 3.93 0.02 1 479 61 82 ILE C C 179.38 0.05 1 480 61 82 ILE CA C 65.3 0.05 1 481 61 82 ILE CB C 38.19 0.05 1 482 61 82 ILE CG1 C 28.85 0.05 1 483 61 82 ILE N N 120.08 0.05 1 484 62 83 ILE H H 8.59 0.02 1 485 62 83 ILE HA H 3.87 0.02 1 486 62 83 ILE C C 178.43 0.05 1 487 62 83 ILE CA C 66.11 0.05 1 488 62 83 ILE CB C 38.24 0.05 1 489 62 83 ILE CG1 C 30.05 0.05 1 490 62 83 ILE N N 123.7 0.05 1 491 63 84 GLU H H 8.54 0.02 1 492 63 84 GLU HA H 4.07 0.02 1 493 63 84 GLU HB2 H 2.48 0.02 1 494 63 84 GLU HB3 H 2.26 0.02 1 495 63 84 GLU HG2 H 2.55 0.02 1 496 63 84 GLU HG3 H 2.55 0.02 1 497 63 84 GLU C C 179.91 0.05 1 498 63 84 GLU CA C 59.68 0.05 1 499 63 84 GLU CB C 28.89 0.05 1 500 63 84 GLU CG C 35.6 0.05 1 501 63 84 GLU N N 120.36 0.05 1 502 64 85 GLU H H 8.55 0.02 1 503 64 85 GLU HA H 4.18 0.02 1 504 64 85 GLU C C 175.67 0.05 1 505 64 85 GLU CA C 59.66 0.05 1 506 64 85 GLU CB C 29.35 0.05 1 507 64 85 GLU CG C 36.29 0.05 1 508 64 85 GLU N N 119.78 0.05 1 509 65 86 SER H H 8.68 0.02 1 510 65 86 SER C C 178.12 0.05 1 511 65 86 SER CA C 62.6 0.05 1 512 65 86 SER CB C 62.88 0.05 1 513 65 86 SER N N 118.38 0.05 1 514 66 87 ASN H H 8.46 0.02 1 515 66 87 ASN HA H 4.46 0.02 1 516 66 87 ASN HB2 H 3.02 0.02 1 517 66 87 ASN HB3 H 3.02 0.02 1 518 66 87 ASN HD21 H 7.75 0.02 1 519 66 87 ASN HD22 H 6.76 0.02 1 520 66 87 ASN C C 178.12 0.05 1 521 66 87 ASN CA C 55.27 0.05 1 522 66 87 ASN CB C 38.15 0.05 1 523 66 87 ASN N N 120.95 0.05 1 524 66 87 ASN ND2 N 111.08 0.05 1 525 67 88 GLU H H 7.94 0.02 1 526 67 88 GLU HA H 4.17 0.02 1 527 67 88 GLU C C 178.58 0.05 1 528 67 88 GLU CA C 59.29 0.05 1 529 67 88 GLU CB C 29.12 0.05 1 530 67 88 GLU CG C 35.56 0.05 1 531 67 88 GLU N N 120.02 0.05 1 532 68 89 ALA H H 7.92 0.02 1 533 68 89 ALA HA H 4.13 0.02 1 534 68 89 ALA HB H 1.63 0.02 1 535 68 89 ALA C C 179.52 0.05 1 536 68 89 ALA CA C 55.27 0.05 1 537 68 89 ALA CB C 18.15 0.05 1 538 68 89 ALA N N 122.05 0.05 1 539 69 90 ILE H H 8.32 0.02 1 540 69 90 ILE HA H 3.62 0.02 1 541 69 90 ILE C C 177.13 0.05 1 542 69 90 ILE CA C 65.48 0.05 1 543 69 90 ILE CB C 38.15 0.05 1 544 69 90 ILE CG1 C 30.37 0.05 1 545 69 90 ILE N N 117.1 0.05 1 546 70 91 LYS H H 7.78 0.02 1 547 70 91 LYS HA H 3.95 0.02 1 548 70 91 LYS C C 179.28 0.05 1 549 70 91 LYS CA C 60.03 0.05 1 550 70 91 LYS CB C 32.26 0.05 1 551 70 91 LYS CG C 25.28 0.05 1 552 70 91 LYS CD C 29.43 0.05 1 553 70 91 LYS CE C 42.19 0.05 1 554 70 91 LYS N N 118.66 0.05 1 555 71 92 GLU H H 7.76 0.02 1 556 71 92 GLU HA H 4.13 0.02 1 557 71 92 GLU C C 178.15 0.05 1 558 71 92 GLU CA C 58.64 0.05 1 559 71 92 GLU CB C 29.42 0.05 1 560 71 92 GLU CG C 35.21 0.05 1 561 71 92 GLU N N 117.52 0.05 1 562 72 93 LEU H H 8.34 0.02 1 563 72 93 LEU HA H 4.04 0.02 1 564 72 93 LEU HD1 H 1.06 0.02 1 565 72 93 LEU HD2 H 0.95 0.02 1 566 72 93 LEU C C 179.8 0.05 1 567 72 93 LEU CA C 57.84 0.05 1 568 72 93 LEU CB C 42.61 0.05 1 569 72 93 LEU CG C 26.95 0.05 1 570 72 93 LEU CD1 C 25.55 0.05 1 571 72 93 LEU CD2 C 24.06 0.05 1 572 72 93 LEU N N 120.01 0.05 1 573 73 94 ILE H H 8.42 0.02 1 574 73 94 ILE HA H 3.87 0.02 1 575 73 94 ILE C C 178.02 0.05 1 576 73 94 ILE CA C 64.61 0.05 1 577 73 94 ILE CB C 38.13 0.05 1 578 73 94 ILE CG1 C 28.89 0.05 1 579 73 94 ILE N N 117.61 0.05 1 580 74 95 LYS H H 7.55 0.02 1 581 74 95 LYS HA H 4.23 0.02 1 582 74 95 LYS C C 177.26 0.05 1 583 74 95 LYS CA C 58.6 0.05 1 584 74 95 LYS CB C 32.72 0.05 1 585 74 95 LYS CG C 24.88 0.05 1 586 74 95 LYS CD C 29.91 0.05 1 587 74 95 LYS CE C 42.16 0.05 1 588 74 95 LYS N N 119.13 0.05 1 589 75 96 ASN H H 7.68 0.02 1 590 75 96 ASN HA H 4.91 0.02 1 591 75 96 ASN HB2 H 3.06 0.02 1 592 75 96 ASN HB3 H 2.8 0.02 1 593 75 96 ASN HD21 H 7.79 0.02 1 594 75 96 ASN HD22 H 7.12 0.02 1 595 75 96 ASN C C 174.72 0.05 1 596 75 96 ASN CA C 53.62 0.05 1 597 75 96 ASN CB C 40.12 0.05 1 598 75 96 ASN N N 115.35 0.05 1 599 75 96 ASN ND2 N 113.9 0.05 1 600 76 97 GLN H H 7.68 0.02 1 601 76 97 GLN HA H 4.92 0.02 1 602 76 97 GLN HE21 H 7.42 0.02 1 603 76 97 GLN HE22 H 6.85 0.02 1 604 76 97 GLN C C 175.82 0.05 1 605 76 97 GLN CA C 56.39 0.05 1 606 76 97 GLN CB C 29.16 0.05 1 607 76 97 GLN CG C 33.98 0.05 1 608 76 97 GLN N N 119.25 0.05 1 609 76 97 GLN NE2 N 111.21 0.05 1 610 77 98 LYS H H 8.54 0.02 1 611 77 98 LYS HA H 4.57 0.02 1 612 77 98 LYS C C 176.69 0.05 1 613 77 98 LYS CA C 56.28 0.05 1 614 77 98 LYS CB C 33.56 0.05 1 615 77 98 LYS CG C 24.61 0.05 1 616 77 98 LYS CD C 29.49 0.05 1 617 77 98 LYS CE C 42.27 0.05 1 618 77 98 LYS N N 122.6 0.05 1 619 78 99 GLY H H 8.22 0.02 1 620 78 99 GLY CA C 44.73 0.05 1 621 78 99 GLY N N 109.63 0.05 1 622 79 100 PRO CA C 64 0.05 1 623 79 100 PRO CB C 32.14 0.05 1 624 79 100 PRO CG C 27.22 0.05 1 625 79 100 PRO CD C 49.81 0.05 1 626 80 101 THR H H 8.21 0.02 1 627 80 101 THR HB H 4.34 0.02 1 628 80 101 THR HG2 H 1.36 0.02 1 629 80 101 THR C C 175.1 0.05 1 630 80 101 THR CA C 62.93 0.05 1 631 80 101 THR CB C 69.5 0.05 1 632 80 101 THR CG2 C 21.99 0.05 1 633 80 101 THR N N 114.09 0.05 1 634 81 102 SER H H 8.24 0.02 1 635 81 102 SER HA H 4.44 0.02 1 636 81 102 SER HB2 H 3.99 0.02 1 637 81 102 SER HB3 H 3.9 0.02 1 638 81 102 SER C C 174.97 0.05 1 639 81 102 SER CA C 59.05 0.05 1 640 81 102 SER CB C 63.71 0.05 1 641 81 102 SER N N 117.42 0.05 1 642 82 103 ASP H H 8.46 0.02 1 643 82 103 ASP HA H 4.47 0.02 1 644 82 103 ASP C C 177.88 0.05 1 645 82 103 ASP CA C 57.2 0.05 1 646 82 103 ASP CB C 40.44 0.05 1 647 82 103 ASP N N 123.76 0.05 1 648 83 104 TYR H H 8.21 0.02 1 649 83 104 TYR HA H 4.46 0.02 1 650 83 104 TYR HB2 H 3.22 0.02 1 651 83 104 TYR HB3 H 3.22 0.02 1 652 83 104 TYR C C 177.65 0.05 1 653 83 104 TYR CA C 60.59 0.05 1 654 83 104 TYR CB C 37.84 0.05 1 655 83 104 TYR CD1 C 130.97 0.05 1 656 83 104 TYR CD2 C 130.97 0.05 1 657 83 104 TYR N N 119.18 0.05 1 658 84 105 ILE H H 7.53 0.02 1 659 84 105 ILE HA H 3.88 0.02 1 660 84 105 ILE C C 177.94 0.05 1 661 84 105 ILE CA C 63.7 0.05 1 662 84 105 ILE CB C 37.93 0.05 1 663 84 105 ILE CG1 C 28.52 0.05 1 664 84 105 ILE N N 120.87 0.05 1 665 85 106 ILE H H 7.91 0.02 1 666 85 106 ILE HA H 3.67 0.02 1 667 85 106 ILE HB H 2.14 0.02 1 668 85 106 ILE C C 177.87 0.05 1 669 85 106 ILE CA C 64.68 0.05 1 670 85 106 ILE CB C 37.18 0.05 1 671 85 106 ILE CG1 C 29.09 0.05 1 672 85 106 ILE N N 120.57 0.05 1 673 86 107 GLU H H 8.2 0.02 1 674 86 107 GLU HA H 4.19 0.02 1 675 86 107 GLU C C 179.26 0.05 1 676 86 107 GLU CA C 59.63 0.05 1 677 86 107 GLU CB C 29.09 0.05 1 678 86 107 GLU CG C 35.88 0.05 1 679 86 107 GLU N N 119.29 0.05 1 680 87 108 GLN H H 7.94 0.02 1 681 87 108 GLN HA H 4.18 0.02 1 682 87 108 GLN HE21 H 7.46 0.02 1 683 87 108 GLN HE22 H 6.87 0.02 1 684 87 108 GLN C C 179.01 0.05 1 685 87 108 GLN CA C 58.83 0.05 1 686 87 108 GLN CB C 28.56 0.05 1 687 87 108 GLN CG C 33.85 0.05 1 688 87 108 GLN N N 118.16 0.05 1 689 87 108 GLN NE2 N 113.33 0.05 1 690 88 109 ILE H H 8.34 0.02 1 691 88 109 ILE HA H 3.99 0.02 1 692 88 109 ILE C C 178.69 0.05 1 693 88 109 ILE CA C 65.35 0.05 1 694 88 109 ILE CB C 38.18 0.05 1 695 88 109 ILE CG1 C 29.41 0.05 1 696 88 109 ILE N N 120.18 0.05 1 697 89 110 GLN H H 8.5 0.02 1 698 89 110 GLN HA H 4.21 0.02 1 699 89 110 GLN HE21 H 7.29 0.02 1 700 89 110 GLN HE22 H 6.81 0.02 1 701 89 110 GLN C C 179.7 0.05 1 702 89 110 GLN CA C 59.67 0.05 1 703 89 110 GLN CB C 28.44 0.05 1 704 89 110 GLN CG C 34.62 0.05 1 705 89 110 GLN N N 118.83 0.05 1 706 89 110 GLN NE2 N 110.42 0.05 1 707 90 111 ARG H H 8.09 0.02 1 708 90 111 ARG HA H 4.23 0.02 1 709 90 111 ARG C C 179.48 0.05 1 710 90 111 ARG CA C 59.67 0.05 1 711 90 111 ARG CB C 29.98 0.05 1 712 90 111 ARG CG C 27.66 0.05 1 713 90 111 ARG CD C 43.6 0.05 1 714 90 111 ARG N N 120.77 0.05 1 715 91 112 ASP H H 8.52 0.02 1 716 91 112 ASP C C 179.04 0.05 1 717 91 112 ASP CA C 57.49 0.05 1 718 91 112 ASP CB C 39.62 0.05 1 719 91 112 ASP N N 121.85 0.05 1 720 92 113 GLN H H 8.74 0.02 1 721 92 113 GLN HE21 H 7.22 0.02 1 722 92 113 GLN HE22 H 6.79 0.02 1 723 92 113 GLN C C 179.15 0.05 1 724 92 113 GLN CA C 59.06 0.05 1 725 92 113 GLN CB C 28.83 0.05 1 726 92 113 GLN CG C 34.86 0.05 1 727 92 113 GLN N N 120.03 0.05 1 728 92 113 GLN NE2 N 120.09 0.05 1 729 93 114 GLU H H 7.94 0.02 1 730 93 114 GLU CA C 59.29 0.05 1 731 93 114 GLU CB C 29.25 0.05 1 732 93 114 GLU CG C 35.86 0.05 1 733 93 114 GLU N N 121.23 0.05 1 734 94 115 GLU C C 178.75 0.05 1 735 94 115 GLU CA C 59.4 0.05 1 736 94 115 GLU CB C 28.61 0.05 1 737 94 115 GLU CG C 35.41 0.05 1 738 95 116 ALA H H 7.76 0.02 1 739 95 116 ALA HA H 4.03 0.02 1 740 95 116 ALA HB H 1.57 0.02 1 741 95 116 ALA C C 178.84 0.05 1 742 95 116 ALA CA C 55.26 0.05 1 743 95 116 ALA CB C 17.83 0.05 1 744 95 116 ALA N N 121.65 0.05 1 745 96 117 ARG H H 8.02 0.02 1 746 96 117 ARG HA H 4.04 0.02 1 747 96 117 ARG C C 179.04 0.05 1 748 96 117 ARG CA C 59.5 0.05 1 749 96 117 ARG CB C 29.72 0.05 1 750 96 117 ARG CG C 27.46 0.05 1 751 96 117 ARG CD C 43.2 0.05 1 752 96 117 ARG N N 117.42 0.05 1 753 97 118 LYS H H 7.86 0.02 1 754 97 118 LYS HA H 4.18 0.02 1 755 97 118 LYS C C 179.66 0.05 1 756 97 118 LYS CA C 59.58 0.05 1 757 97 118 LYS CB C 32.28 0.05 1 758 97 118 LYS CG C 25.23 0.05 1 759 97 118 LYS CD C 29.16 0.05 1 760 97 118 LYS CE C 42.05 0.05 1 761 97 118 LYS N N 118.64 0.05 1 762 98 119 LYS H H 8.34 0.02 1 763 98 119 LYS HA H 4.34 0.02 1 764 98 119 LYS C C 179.03 0.05 1 765 98 119 LYS CA C 57.69 0.05 1 766 98 119 LYS CB C 31.41 0.05 1 767 98 119 LYS CG C 25.23 0.05 1 768 98 119 LYS CD C 29.19 0.05 1 769 98 119 LYS CE C 42.08 0.05 1 770 98 119 LYS N N 119.53 0.05 1 771 99 120 VAL H H 8.74 0.02 1 772 99 120 VAL HA H 3.23 0.02 1 773 99 120 VAL HG1 H 1.07 0.02 1 774 99 120 VAL HG2 H 1.16 0.02 1 775 99 120 VAL C C 177.48 0.05 1 776 99 120 VAL CA C 67.39 0.05 1 777 99 120 VAL CB C 31.48 0.05 1 778 99 120 VAL CG1 C 21.74 0.05 1 779 99 120 VAL CG2 C 24.57 0.05 1 780 99 120 VAL N N 121.1 0.05 1 781 100 121 GLU H H 7.85 0.02 1 782 100 121 GLU C C 179.77 0.05 1 783 100 121 GLU CA C 60.05 0.05 1 784 100 121 GLU CB C 28.83 0.05 1 785 100 121 GLU CG C 36.04 0.05 1 786 100 121 GLU N N 120.25 0.05 1 787 101 122 GLU H H 8.1 0.02 1 788 101 122 GLU HA H 4.2 0.02 1 789 101 122 GLU C C 179.16 0.05 1 790 101 122 GLU CA C 59.53 0.05 1 791 101 122 GLU CB C 29.67 0.05 1 792 101 122 GLU CG C 36.05 0.05 1 793 101 122 GLU N N 120.36 0.05 1 794 102 123 ALA H H 8.76 0.02 1 795 102 123 ALA HA H 4.09 0.02 1 796 102 123 ALA HB H 1.58 0.02 1 797 102 123 ALA C C 179.18 0.05 1 798 102 123 ALA CA C 55.55 0.05 1 799 102 123 ALA CB C 17.9 0.05 1 800 102 123 ALA N N 122.55 0.05 1 801 103 124 GLU H H 8.77 0.02 1 802 103 124 GLU C C 179.2 0.05 1 803 103 124 GLU CA C 59.82 0.05 1 804 103 124 GLU CB C 28.73 0.05 1 805 103 124 GLU CG C 34.98 0.05 1 806 103 124 GLU N N 116.69 0.05 1 807 104 125 GLU H H 8.12 0.02 1 808 104 125 GLU CA C 59.77 0.05 1 809 104 125 GLU CB C 29.89 0.05 1 810 104 125 GLU CG C 35.78 0.05 1 811 104 125 GLU N N 120.69 0.05 1 812 105 126 ARG C C 179.2 0.05 1 813 105 126 ARG CA C 59.19 0.05 1 814 105 126 ARG CB C 31.33 0.05 1 815 105 126 ARG CG C 28.53 0.05 1 816 105 126 ARG CD C 43.02 0.05 1 817 106 127 LEU H H 8.76 0.02 1 818 106 127 LEU HA H 4.1 0.02 1 819 106 127 LEU HD1 H 0.98 0.02 1 820 106 127 LEU HD2 H 0.99 0.02 1 821 106 127 LEU C C 179.89 0.05 1 822 106 127 LEU CA C 58.04 0.05 1 823 106 127 LEU CB C 41.47 0.05 1 824 106 127 LEU CG C 27.32 0.05 1 825 106 127 LEU CD1 C 25.28 0.05 1 826 106 127 LEU CD2 C 23.79 0.05 1 827 106 127 LEU N N 121.11 0.05 1 828 107 128 GLU H H 8.07 0.02 1 829 107 128 GLU HA H 4.14 0.02 1 830 107 128 GLU HB2 H 2.32 0.02 1 831 107 128 GLU HB3 H 2.32 0.02 1 832 107 128 GLU HG2 H 2.52 0.02 1 833 107 128 GLU HG3 H 2.52 0.02 1 834 107 128 GLU C C 179.28 0.05 1 835 107 128 GLU CA C 59.52 0.05 1 836 107 128 GLU CB C 28.74 0.05 1 837 107 128 GLU CG C 35.47 0.05 1 838 107 128 GLU N N 119.35 0.05 1 839 108 129 ARG H H 7.91 0.02 1 840 108 129 ARG HA H 4.24 0.02 1 841 108 129 ARG C C 179.29 0.05 1 842 108 129 ARG CA C 59.38 0.05 1 843 108 129 ARG CB C 30.34 0.05 1 844 108 129 ARG CG C 27.44 0.05 1 845 108 129 ARG CD C 43.61 0.05 1 846 108 129 ARG N N 118.48 0.05 1 847 109 130 VAL H H 8.31 0.02 1 848 109 130 VAL HA H 3.81 0.02 1 849 109 130 VAL HB H 2.41 0.02 1 850 109 130 VAL HG1 H 1.07 0.02 1 851 109 130 VAL HG2 H 1.17 0.02 1 852 109 130 VAL C C 177.64 0.05 1 853 109 130 VAL CA C 66.48 0.05 1 854 109 130 VAL CB C 31.44 0.05 1 855 109 130 VAL CG1 C 21.84 0.05 1 856 109 130 VAL CG2 C 24.04 0.05 1 857 109 130 VAL N N 121.04 0.05 1 858 110 131 LYS H H 8.36 0.02 1 859 110 131 LYS HA H 3.96 0.02 1 860 110 131 LYS C C 179.77 0.05 1 861 110 131 LYS CA C 60.48 0.05 1 862 110 131 LYS CB C 32.29 0.05 1 863 110 131 LYS CG C 25.77 0.05 1 864 110 131 LYS CD C 29.75 0.05 1 865 110 131 LYS CE C 41.61 0.05 1 866 110 131 LYS N N 121.29 0.05 1 867 111 132 GLU H H 8.2 0.02 1 868 111 132 GLU HA H 4.14 0.02 1 869 111 132 GLU C C 178.65 0.05 1 870 111 132 GLU CA C 59.23 0.05 1 871 111 132 GLU CB C 29.45 0.05 1 872 111 132 GLU CG C 35.84 0.05 1 873 111 132 GLU N N 119.28 0.05 1 874 112 133 ALA H H 8.2 0.02 1 875 112 133 ALA HA H 4.14 0.02 1 876 112 133 ALA HB H 1.55 0.02 1 877 112 133 ALA C C 179.7 0.05 1 878 112 133 ALA CA C 54.92 0.05 1 879 112 133 ALA CB C 18.16 0.05 1 880 112 133 ALA N N 121.89 0.05 1 881 113 134 SER H H 8.23 0.02 1 882 113 134 SER HB2 H 4.04 0.02 1 883 113 134 SER HB3 H 4.04 0.02 1 884 113 134 SER C C 176.5 0.05 1 885 113 134 SER CA C 61.08 0.05 1 886 113 134 SER CB C 63 0.05 1 887 113 134 SER N N 112.31 0.05 1 888 114 135 LYS H H 7.64 0.02 1 889 114 135 LYS HA H 4.32 0.02 1 890 114 135 LYS C C 177.76 0.05 1 891 114 135 LYS CA C 57.97 0.05 1 892 114 135 LYS CB C 32.83 0.05 1 893 114 135 LYS CG C 25.02 0.05 1 894 114 135 LYS CD C 29.23 0.05 1 895 114 135 LYS CE C 42.31 0.05 1 896 114 135 LYS N N 121.59 0.05 1 897 115 136 ARG H H 7.87 0.02 1 898 115 136 ARG HA H 4.46 0.02 1 899 115 136 ARG HD2 H 3.31 0.02 1 900 115 136 ARG HD3 H 3.31 0.02 1 901 115 136 ARG C C 176.96 0.05 1 902 115 136 ARG CA C 56.75 0.05 1 903 115 136 ARG CB C 30.84 0.05 1 904 115 136 ARG CG C 27.67 0.05 1 905 115 136 ARG CD C 43.53 0.05 1 906 115 136 ARG N N 117.48 0.05 1 907 116 137 GLY H H 8.05 0.02 1 908 116 137 GLY HA2 H 4.14 0.02 1 909 116 137 GLY HA3 H 3.98 0.02 1 910 116 137 GLY C C 174.68 0.05 1 911 116 137 GLY CA C 46.31 0.05 1 912 116 137 GLY N N 108.61 0.05 1 913 117 138 VAL H H 7.56 0.02 1 914 117 138 VAL HA H 4.28 0.02 1 915 117 138 VAL HB H 2.16 0.02 1 916 117 138 VAL HG1 H 1.11 0.02 1 917 117 138 VAL HG2 H 1.03 0.02 1 918 117 138 VAL C C 175.12 0.05 1 919 117 138 VAL CA C 61.87 0.05 1 920 117 138 VAL CB C 32.92 0.05 1 921 117 138 VAL CG1 C 21.57 0.05 1 922 117 138 VAL CG2 C 20.9 0.05 1 923 117 138 VAL N N 117.96 0.05 1 924 118 139 SER H H 8.37 0.02 1 925 118 139 SER HA H 3.71 0.02 1 926 118 139 SER HB2 H 4.4 0.02 1 927 118 139 SER HB3 H 4.14 0.02 1 928 118 139 SER C C 175.69 0.05 1 929 118 139 SER CA C 58.3 0.05 1 930 118 139 SER CB C 64.89 0.05 1 931 118 139 SER N N 118.75 0.05 1 932 119 140 SER H H 8.95 0.02 1 933 119 140 SER HB2 H 4.08 0.02 1 934 119 140 SER HB3 H 4.08 0.02 1 935 119 140 SER C C 175.84 0.05 1 936 119 140 SER CA C 62.64 0.05 1 937 119 140 SER CB C 64.78 0.05 1 938 119 140 SER N N 118.25 0.05 1 939 120 141 ASP H H 8.44 0.02 1 940 120 141 ASP C C 178.39 0.05 1 941 120 141 ASP CA C 57.65 0.05 1 942 120 141 ASP CB C 40.16 0.05 1 943 120 141 ASP N N 119.35 0.05 1 944 121 142 GLN H H 7.64 0.02 1 945 121 142 GLN HE21 H 6.92 0.02 1 946 121 142 GLN HE22 H 7.57 0.02 1 947 121 142 GLN C C 179.15 0.05 1 948 121 142 GLN CA C 58.47 0.05 1 949 121 142 GLN CB C 28.91 0.05 1 950 121 142 GLN CG C 34.7 0.05 1 951 121 142 GLN N N 119.44 0.05 1 952 121 142 GLN NE2 N 111.64 0.05 1 953 122 143 LEU H H 8.12 0.02 1 954 122 143 LEU HA H 4.28 0.02 1 955 122 143 LEU HB2 H 1.89 0.02 1 956 122 143 LEU HB3 H 1.89 0.02 1 957 122 143 LEU HG H 1.89 0.02 1 958 122 143 LEU HD1 H 1.11 0.02 1 959 122 143 LEU HD2 H 0.87 0.02 1 960 122 143 LEU C C 178.85 0.05 1 961 122 143 LEU CA C 57.98 0.05 1 962 122 143 LEU CB C 41.97 0.05 1 963 122 143 LEU CG C 27.28 0.05 1 964 122 143 LEU CD1 C 25.43 0.05 1 965 122 143 LEU CD2 C 23.66 0.05 1 966 122 143 LEU N N 120.34 0.05 1 967 123 144 LEU H H 8.46 0.02 1 968 123 144 LEU HA H 4.13 0.02 1 969 123 144 LEU HD1 H 1.03 0.02 1 970 123 144 LEU HD2 H 0.99 0.02 1 971 123 144 LEU C C 179.44 0.05 1 972 123 144 LEU CA C 58.36 0.05 1 973 123 144 LEU CB C 41.3 0.05 1 974 123 144 LEU CG C 27.13 0.05 1 975 123 144 LEU CD1 C 24.94 0.05 1 976 123 144 LEU CD2 C 24.02 0.05 1 977 123 144 LEU N N 118.97 0.05 1 978 124 145 ASP H H 7.73 0.02 1 979 124 145 ASP HA H 4.6 0.02 1 980 124 145 ASP HB2 H 2.87 0.02 1 981 124 145 ASP HB3 H 2.87 0.02 1 982 124 145 ASP C C 178.74 0.05 1 983 124 145 ASP CA C 57.86 0.05 1 984 124 145 ASP CB C 40.37 0.05 1 985 124 145 ASP N N 119.82 0.05 1 986 125 146 LEU H H 7.78 0.02 1 987 125 146 LEU HD1 H 0.98 0.02 1 988 125 146 LEU HD2 H 1.06 0.02 1 989 125 146 LEU C C 179.91 0.05 1 990 125 146 LEU CA C 58.01 0.05 1 991 125 146 LEU CB C 41.92 0.05 1 992 125 146 LEU CG C 26.97 0.05 1 993 125 146 LEU CD1 C 25.07 0.05 1 994 125 146 LEU CD2 C 23.07 0.05 1 995 125 146 LEU N N 120.21 0.05 1 996 126 147 ILE H H 8.44 0.02 1 997 126 147 ILE HA H 3.6 0.02 1 998 126 147 ILE C C 177.15 0.05 1 999 126 147 ILE CA C 65.88 0.05 1 1000 126 147 ILE CB C 37.95 0.05 1 1001 126 147 ILE CG1 C 29.34 0.05 1 1002 126 147 ILE N N 121.01 0.05 1 1003 127 148 ARG H H 8.29 0.02 1 1004 127 148 ARG C C 179.23 0.05 1 1005 127 148 ARG CA C 60.28 0.05 1 1006 127 148 ARG CB C 29.67 0.05 1 1007 127 148 ARG CG C 27.87 0.05 1 1008 127 148 ARG CD C 43.39 0.05 1 1009 127 148 ARG N N 120.58 0.05 1 1010 128 149 GLU H H 8.04 0.02 1 1011 128 149 GLU C C 179.15 0.05 1 1012 128 149 GLU CA C 59.51 0.05 1 1013 128 149 GLU CB C 29.65 0.05 1 1014 128 149 GLU CG C 35.98 0.05 1 1015 128 149 GLU N N 118.96 0.05 1 1016 129 150 LEU CA C 57.97 0.05 1 1017 129 150 LEU CB C 41.85 0.05 1 1018 129 150 LEU CG C 27.34 0.05 1 1019 129 150 LEU CD1 C 25.41 0.05 1 1020 129 150 LEU CD2 C 23.72 0.05 1 1021 130 151 ALA H H 8.91 0.02 1 1022 130 151 ALA HA H 4.08 0.02 1 1023 130 151 ALA HB H 1.61 0.02 1 1024 130 151 ALA C C 178.63 0.05 1 1025 130 151 ALA CA C 55.69 0.05 1 1026 130 151 ALA CB C 17.6 0.05 1 1027 130 151 ALA N N 121.29 0.05 1 1028 131 152 GLU H H 7.87 0.02 1 1029 131 152 GLU HA H 4.25 0.02 1 1030 131 152 GLU C C 179.51 0.05 1 1031 131 152 GLU CA C 59.65 0.05 1 1032 131 152 GLU CB C 28.6 0.05 1 1033 131 152 GLU CG C 35.79 0.05 1 1034 131 152 GLU N N 117.2 0.05 1 1035 132 153 ILE H H 7.84 0.02 1 1036 132 153 ILE HA H 3.6 0.02 1 1037 132 153 ILE HB H 2.06 0.02 1 1038 132 153 ILE C C 178.18 0.05 1 1039 132 153 ILE CA C 64.35 0.05 1 1040 132 153 ILE CB C 38.11 0.05 1 1041 132 153 ILE CG1 C 29.25 0.05 1 1042 132 153 ILE N N 120.78 0.05 1 1043 133 154 ILE H H 8.42 0.02 1 1044 133 154 ILE HB H 2.05 0.02 1 1045 133 154 ILE CA C 66.11 0.05 1 1046 133 154 ILE CB C 37.11 0.05 1 1047 133 154 ILE CG1 C 30.01 0.05 1 1048 133 154 ILE N N 122.65 0.05 1 1049 134 155 GLU CA C 60.73 0.05 1 1050 134 155 GLU CB C 30.25 0.05 1 1051 135 156 GLU HA H 4.19 0.02 1 1052 135 156 GLU C C 178.88 0.05 1 1053 135 156 GLU CA C 59.37 0.05 1 1054 135 156 GLU CB C 29.22 0.05 1 1055 135 156 GLU CG C 35.51 0.05 1 1056 136 157 LEU H H 8.48 0.02 1 1057 136 157 LEU HA H 3.72 0.02 1 1058 136 157 LEU HD1 H 0.98 0.02 1 1059 136 157 LEU HD2 H 0.9 0.02 1 1060 136 157 LEU C C 178.36 0.05 1 1061 136 157 LEU CA C 58.32 0.05 1 1062 136 157 LEU CB C 42.1 0.05 1 1063 136 157 LEU CG C 27.03 0.05 1 1064 136 157 LEU CD1 C 25.22 0.05 1 1065 136 157 LEU CD2 C 24.78 0.05 1 1066 136 157 LEU N N 120.35 0.05 1 1067 137 158 ILE H H 8.7 0.02 1 1068 137 158 ILE HA H 3.67 0.02 1 1069 137 158 ILE C C 179.34 0.05 1 1070 137 158 ILE CA C 66.78 0.05 1 1071 137 158 ILE CB C 37.82 0.05 1 1072 137 158 ILE CG1 C 30.11 0.05 1 1073 137 158 ILE N N 119.82 0.05 1 1074 138 159 ARG H H 7.86 0.02 1 1075 138 159 ARG HA H 4.07 0.02 1 1076 138 159 ARG C C 179.38 0.05 1 1077 138 159 ARG CA C 60.61 0.05 1 1078 138 159 ARG CB C 30.07 0.05 1 1079 138 159 ARG CG C 28.93 0.05 1 1080 138 159 ARG CD C 43.79 0.05 1 1081 138 159 ARG N N 119.65 0.05 1 1082 139 160 ILE H H 8.1 0.02 1 1083 139 160 ILE HA H 3.6 0.02 1 1084 139 160 ILE C C 178.4 0.05 1 1085 139 160 ILE CA C 65.53 0.05 1 1086 139 160 ILE CB C 38.55 0.05 1 1087 139 160 ILE CG1 C 29.42 0.05 1 1088 139 160 ILE N N 120.69 0.05 1 1089 140 161 ILE H H 8.5 0.02 1 1090 140 161 ILE HA H 3.75 0.02 1 1091 140 161 ILE HB H 2.05 0.02 1 1092 140 161 ILE C C 178.7 0.05 1 1093 140 161 ILE CA C 65.56 0.05 1 1094 140 161 ILE CB C 38.21 0.05 1 1095 140 161 ILE CG1 C 30.01 0.05 1 1096 140 161 ILE N N 122.33 0.05 1 1097 141 162 ARG H H 8.79 0.02 1 1098 141 162 ARG C C 179.29 0.05 1 1099 141 162 ARG CA C 60.73 0.05 1 1100 141 162 ARG CB C 30.25 0.05 1 1101 141 162 ARG CG C 28.97 0.05 1 1102 141 162 ARG CD C 43.73 0.05 1 1103 141 162 ARG N N 120.1 0.05 1 1104 142 163 ARG HA H 4.27 0.02 1 1105 142 163 ARG C C 179.82 0.05 1 1106 142 163 ARG CA C 59.84 0.05 1 1107 142 163 ARG CB C 30.11 0.05 1 1108 142 163 ARG CG C 27.58 0.05 1 1109 142 163 ARG CD C 43.95 0.05 1 1110 142 163 ARG N N 120.25 0.05 1 1111 143 164 SER H H 8.69 0.02 1 1112 143 164 SER C C 175.94 0.05 1 1113 143 164 SER CA C 62.22 0.05 1 1114 143 164 SER CB C 63.06 0.05 1 1115 143 164 SER N N 118.59 0.05 1 1116 144 165 ASN H H 8.64 0.02 1 1117 144 165 ASN HA H 4.51 0.02 1 1118 144 165 ASN HB2 H 3.01 0.02 1 1119 144 165 ASN HB3 H 3.01 0.02 1 1120 144 165 ASN HD21 H 7.98 0.02 1 1121 144 165 ASN HD22 H 6.53 0.02 1 1122 144 165 ASN C C 178.1 0.05 1 1123 144 165 ASN CA C 56.79 0.05 1 1124 144 165 ASN CB C 38.88 0.05 1 1125 144 165 ASN N N 120.61 0.05 1 1126 144 165 ASN ND2 N 109.36 0.05 1 1127 145 166 GLU H H 7.99 0.02 1 1128 145 166 GLU HA H 4.2 0.02 1 1129 145 166 GLU HB2 H 2.23 0.02 1 1130 145 166 GLU HB3 H 2.23 0.02 1 1131 145 166 GLU HG2 H 2.52 0.02 1 1132 145 166 GLU HG3 H 2.46 0.02 1 1133 145 166 GLU C C 178.68 0.05 1 1134 145 166 GLU CA C 59.21 0.05 1 1135 145 166 GLU CB C 29.15 0.05 1 1136 145 166 GLU CG C 35.81 0.05 1 1137 145 166 GLU N N 119.52 0.05 1 1138 146 167 ALA H H 7.97 0.02 1 1139 146 167 ALA HA H 4.3 0.02 1 1140 146 167 ALA HB H 1.61 0.02 1 1141 146 167 ALA C C 179.34 0.05 1 1142 146 167 ALA CA C 55.22 0.05 1 1143 146 167 ALA CB C 18.3 0.05 1 1144 146 167 ALA N N 123.16 0.05 1 1145 147 168 ILE H H 8.38 0.02 1 1146 147 168 ILE HA H 3.65 0.02 1 1147 147 168 ILE HB H 2.06 0.02 1 1148 147 168 ILE C C 177.43 0.05 1 1149 147 168 ILE CA C 66.15 0.05 1 1150 147 168 ILE CB C 38.05 0.05 1 1151 147 168 ILE CG1 C 29.04 0.05 1 1152 147 168 ILE N N 118.53 0.05 1 1153 148 169 LYS H H 7.74 0.02 1 1154 148 169 LYS HA H 3.95 0.02 1 1155 148 169 LYS C C 178.63 0.05 1 1156 148 169 LYS CA C 60.1 0.05 1 1157 148 169 LYS CB C 32.2 0.05 1 1158 148 169 LYS CG C 25.34 0.05 1 1159 148 169 LYS CD C 29.43 0.05 1 1160 148 169 LYS CE C 42.07 0.05 1 1161 148 169 LYS N N 118.57 0.05 1 1162 149 170 GLU H H 7.8 0.02 1 1163 149 170 GLU HA H 4.17 0.02 1 1164 149 170 GLU HB2 H 2.25 0.02 1 1165 149 170 GLU HB3 H 2.25 0.02 1 1166 149 170 GLU HG2 H 2.61 0.02 1 1167 149 170 GLU HG3 H 2.36 0.02 1 1168 149 170 GLU C C 178.27 0.05 1 1169 149 170 GLU CA C 58.92 0.05 1 1170 149 170 GLU CB C 29.26 0.05 1 1171 149 170 GLU CG C 35.35 0.05 1 1172 149 170 GLU N N 118.2 0.05 1 1173 150 171 LEU H H 8.19 0.02 1 1174 150 171 LEU HA H 4.12 0.02 1 1175 150 171 LEU HB2 H 1.65 0.02 1 1176 150 171 LEU HB3 H 1.65 0.02 1 1177 150 171 LEU HD1 H 0.94 0.02 1 1178 150 171 LEU HD2 H 0.9 0.02 1 1179 150 171 LEU C C 178.75 0.05 1 1180 150 171 LEU CA C 57.66 0.05 1 1181 150 171 LEU CB C 42.88 0.05 1 1182 150 171 LEU CG C 26.99 0.05 1 1183 150 171 LEU CD1 C 25.93 0.05 1 1184 150 171 LEU CD2 C 24.17 0.05 1 1185 150 171 LEU N N 119.71 0.05 1 1186 151 172 ILE H H 8.15 0.02 1 1187 151 172 ILE HA H 3.93 0.02 1 1188 151 172 ILE HB H 2.11 0.02 1 1189 151 172 ILE C C 176.64 0.05 1 1190 151 172 ILE CA C 64.3 0.05 1 1191 151 172 ILE CB C 38.21 0.05 1 1192 151 172 ILE CG1 C 29.13 0.05 1 1193 151 172 ILE N N 117.26 0.05 1 1194 152 173 LYS H H 7.61 0.02 1 1195 152 173 LYS HA H 4.28 0.02 1 1196 152 173 LYS HB2 H 2.04 0.02 1 1197 152 173 LYS HB3 H 2.04 0.02 1 1198 152 173 LYS HG2 H 1.64 0.02 1 1199 152 173 LYS HG3 H 1.64 0.02 1 1200 152 173 LYS C C 176.3 0.05 1 1201 152 173 LYS CA C 58.1 0.05 1 1202 152 173 LYS CB C 32.7 0.05 1 1203 152 173 LYS CG C 24.83 0.05 1 1204 152 173 LYS CD C 29.39 0.05 1 1205 152 173 LYS CE C 42.07 0.05 1 1206 152 173 LYS N N 119.52 0.05 1 1207 153 174 ASN H H 7.81 0.02 1 1208 153 174 ASN HA H 4.93 0.02 1 1209 153 174 ASN HB2 H 3.07 0.02 1 1210 153 174 ASN HB3 H 2.82 0.02 1 1211 153 174 ASN HD21 H 7.64 0.02 1 1212 153 174 ASN HD22 H 6.99 0.02 1 1213 153 174 ASN C C 173.23 0.05 1 1214 153 174 ASN CA C 53.39 0.05 1 1215 153 174 ASN CB C 39.47 0.05 1 1216 153 174 ASN N N 117.61 0.05 1 1217 153 174 ASN ND2 N 112.71 0.05 1 1218 154 175 GLN H H 7.57 0.02 1 1219 154 175 GLN HA H 4.42 0.02 1 1220 154 175 GLN HE21 H 7.52 0.02 1 1221 154 175 GLN HE22 H 6.95 0.02 1 1222 154 175 GLN CA C 57.56 0.05 1 1223 154 175 GLN CB C 30.36 0.05 1 1224 154 175 GLN CG C 34.59 0.05 1 1225 154 175 GLN N N 124.15 0.05 1 1226 154 175 GLN NE2 N 111.72 0.05 1 stop_ save_