data_18726 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Repetitive domain (RP) of aciniform spidroin 1 from Nephila antipodiana ; _BMRB_accession_number 18726 _BMRB_flat_file_name bmr18726.str _Entry_type original _Submission_date 2012-09-18 _Accession_date 2012-09-18 _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 Wang Shujing . . 2 Huang Weidong . . 3 Yang Daiwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 832 "13C chemical shifts" 487 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-15 original author . stop_ _Original_release_date 2013-01-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure note: repetitive domain of aciniform spidroin 1 from Nephila antipodiana' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23129012 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Shujing . . 2 Huang Weidong . . 3 Yang Daiwen . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 54 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 415 _Page_last 420 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AcSp1-RP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AcSp1-RP $AcSp1-RP 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_AcSp1-RP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AcSp1-RP _Molecular_mass 17079.383 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; MHHHHHHSGSLGDQLTSTLA SALTKTNTLKAVSASKPSAN VAVAIVTSGLKKALGALRIN AGVSSQLTSAVSQAVANVRP GSSPAVYAKAIAAPSVQILV SSGSVNNNNAKQVASTLSEN LVREMANTARRYRVNVPEAS VQADVSLVTSMTSTFVISSQ TSVQMGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 MET 2 -5 HIS 3 -4 HIS 4 -3 HIS 5 -2 HIS 6 -1 HIS 7 0 HIS 8 1 SER 9 2 GLY 10 3 SER 11 4 LEU 12 5 GLY 13 6 ASP 14 7 GLN 15 8 LEU 16 9 THR 17 10 SER 18 11 THR 19 12 LEU 20 13 ALA 21 14 SER 22 15 ALA 23 16 LEU 24 17 THR 25 18 LYS 26 19 THR 27 20 ASN 28 21 THR 29 22 LEU 30 23 LYS 31 24 ALA 32 25 VAL 33 26 SER 34 27 ALA 35 28 SER 36 29 LYS 37 30 PRO 38 31 SER 39 32 ALA 40 33 ASN 41 34 VAL 42 35 ALA 43 36 VAL 44 37 ALA 45 38 ILE 46 39 VAL 47 40 THR 48 41 SER 49 42 GLY 50 43 LEU 51 44 LYS 52 45 LYS 53 46 ALA 54 47 LEU 55 48 GLY 56 49 ALA 57 50 LEU 58 51 ARG 59 52 ILE 60 53 ASN 61 54 ALA 62 55 GLY 63 56 VAL 64 57 SER 65 58 SER 66 59 GLN 67 60 LEU 68 61 THR 69 62 SER 70 63 ALA 71 64 VAL 72 65 SER 73 66 GLN 74 67 ALA 75 68 VAL 76 69 ALA 77 70 ASN 78 71 VAL 79 72 ARG 80 73 PRO 81 74 GLY 82 75 SER 83 76 SER 84 77 PRO 85 78 ALA 86 79 VAL 87 80 TYR 88 81 ALA 89 82 LYS 90 83 ALA 91 84 ILE 92 85 ALA 93 86 ALA 94 87 PRO 95 88 SER 96 89 VAL 97 90 GLN 98 91 ILE 99 92 LEU 100 93 VAL 101 94 SER 102 95 SER 103 96 GLY 104 97 SER 105 98 VAL 106 99 ASN 107 100 ASN 108 101 ASN 109 102 ASN 110 103 ALA 111 104 LYS 112 105 GLN 113 106 VAL 114 107 ALA 115 108 SER 116 109 THR 117 110 LEU 118 111 SER 119 112 GLU 120 113 ASN 121 114 LEU 122 115 VAL 123 116 ARG 124 117 GLU 125 118 MET 126 119 ALA 127 120 ASN 128 121 THR 129 122 ALA 130 123 ARG 131 124 ARG 132 125 TYR 133 126 ARG 134 127 VAL 135 128 ASN 136 129 VAL 137 130 PRO 138 131 GLU 139 132 ALA 140 133 SER 141 134 VAL 142 135 GLN 143 136 ALA 144 137 ASP 145 138 VAL 146 139 SER 147 140 LEU 148 141 VAL 149 142 THR 150 143 SER 151 144 MET 152 145 THR 153 146 SER 154 147 THR 155 148 PHE 156 149 VAL 157 150 ILE 158 151 SER 159 152 SER 160 153 GLN 161 154 THR 162 155 SER 163 156 VAL 164 157 GLN 165 158 MET 166 159 GLY 167 160 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2LYI "Repetitive Domain (rp) Of Aciniform Spidroin 1 From Nephila Antipodiana" 100.00 167 100.00 100.00 4.82e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AcSp1-RP Spiders 171624 Eukaryota Metazoa Nephila antipodiana 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 $AcSp1-RP 'recombinant technology' . Escherichia coli . pET-32a(+)(derived) 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 $AcSp1-RP 2 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRspy _Saveframe_category software _Name NMRspy _Version . loop_ _Vendor _Address _Electronic_address 'Yu Zheng, Daiwen Yang' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_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_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_4D_time_shared_13C/15N-edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D time shared 13C/15N-edited NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external direct . . . 0.25 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.1 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 '4D time shared 13C/15N-edited NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AcSp1-RP _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 -6 1 MET HB2 H 2.075301 0.01 1 2 -6 1 MET HB3 H 2.075301 0.01 1 3 -6 1 MET HE H 1.993919 0.01 1 4 -6 1 MET CE C 16.903125 0.3 1 5 1 8 SER HA H 4.417 0.01 1 6 1 8 SER HB2 H 3.854573 0.01 1 7 1 8 SER HB3 H 3.854573 0.01 1 8 1 8 SER CA C 58.904 0.3 1 9 1 8 SER CB C 64.069495 0.3 1 10 2 9 GLY H H 8.62 0.01 1 11 2 9 GLY HA2 H 4.064114 0.01 1 12 2 9 GLY HA3 H 4.064114 0.01 1 13 2 9 GLY CA C 45.689 0.3 1 14 2 9 GLY N N 110.955 0.3 1 15 3 10 SER H H 8.459 0.01 1 16 3 10 SER HA H 4.495 0.01 1 17 3 10 SER HB2 H 3.968324 0.01 1 18 3 10 SER HB3 H 4.177865 0.01 1 19 3 10 SER CA C 58.386 0.3 1 20 3 10 SER CB C 64.877115 0.3 1 21 3 10 SER N N 116.638 0.3 1 22 4 11 LEU H H 8.7 0.01 1 23 4 11 LEU HA H 4.094 0.01 1 24 4 11 LEU HB2 H 1.781461 0.01 1 25 4 11 LEU HB3 H 1.726191 0.01 1 26 4 11 LEU HG H 1.340087 0.01 1 27 4 11 LEU HD1 H 0.795282 0.01 1 28 4 11 LEU HD2 H 0.926993 0.01 1 29 4 11 LEU CA C 58.973 0.3 1 30 4 11 LEU CB C 41.593787 0.3 1 31 4 11 LEU CG C 27.364546 0.3 1 32 4 11 LEU CD1 C 25.610061 0.3 1 33 4 11 LEU CD2 C 23.688481 0.3 1 34 4 11 LEU N N 104.963 0.3 1 35 5 12 GLY H H 8.814 0.01 1 36 5 12 GLY HA2 H 3.885 0.01 1 37 5 12 GLY HA3 H 3.441479 0.01 1 38 5 12 GLY CA C 46.886677 0.3 1 39 5 12 GLY N N 126.963 0.3 1 40 6 13 ASP H H 8.119 0.01 1 41 6 13 ASP HA H 4.369 0.01 1 42 6 13 ASP HB2 H 2.72835 0.01 1 43 6 13 ASP HB3 H 2.788123 0.01 1 44 6 13 ASP CA C 57.972 0.3 1 45 6 13 ASP CB C 40.957357 0.3 1 46 6 13 ASP N N 125.167 0.3 1 47 7 14 GLN H H 8.398 0.01 1 48 7 14 GLN HA H 4.16 0.01 1 49 7 14 GLN HB2 H 2.265824 0.01 1 50 7 14 GLN HB3 H 2.160289 0.01 1 51 7 14 GLN HG2 H 2.315947 0.01 1 52 7 14 GLN HG3 H 2.531475 0.01 1 53 7 14 GLN HE21 H 7.217419 0.01 1 54 7 14 GLN HE22 H 6.979274 0.01 1 55 7 14 GLN CA C 59.404 0.3 1 56 7 14 GLN CB C 29.199459 0.3 1 57 7 14 GLN CG C 34.85592 0.3 1 58 7 14 GLN N N 119.521 0.3 1 59 7 14 GLN NE2 N 111.419842 0.3 1 60 8 15 LEU H H 9.087 0.01 1 61 8 15 LEU HA H 3.801 0.01 1 62 8 15 LEU HB2 H 1.489759 0.01 1 63 8 15 LEU HB3 H 1.489759 0.01 1 64 8 15 LEU HG H 1.453838 0.01 1 65 8 15 LEU HD1 H 0.525873 0.01 1 66 8 15 LEU HD2 H 0.442057 0.01 1 67 8 15 LEU CA C 57.722 0.3 1 68 8 15 LEU CB C 42.402992 0.3 1 69 8 15 LEU CG C 26.751869 0.3 1 70 8 15 LEU CD1 C 24.80244 0.3 1 71 8 15 LEU CD2 C 23.966971 0.3 1 72 8 15 LEU N N 121.234 0.3 1 73 9 16 THR H H 8.188 0.01 1 74 9 16 THR HA H 3.513 0.01 1 75 9 16 THR HB H 4.33951 0.01 1 76 9 16 THR HG2 H 1.052718 0.01 1 77 9 16 THR CA C 68.886 0.3 1 78 9 16 THR CB C 67.968351 0.3 1 79 9 16 THR CG2 C 20.959282 0.3 1 80 9 16 THR N N 116.094 0.3 1 81 10 17 SER H H 7.801 0.01 1 82 10 17 SER HA H 4.154 0.01 1 83 10 17 SER HB2 H 3.980298 0.01 1 84 10 17 SER HB3 H 3.980298 0.01 1 85 10 17 SER CA C 61.898 0.3 1 86 10 17 SER CB C 62.899838 0.3 1 87 10 17 SER N N 115.044 0.3 1 88 11 18 THR H H 8.147 0.01 1 89 11 18 THR HA H 3.92 0.01 1 90 11 18 THR HB H 3.932403 0.01 1 91 11 18 THR HG2 H 1.058704 0.01 1 92 11 18 THR CA C 67.747 0.3 1 93 11 18 THR CB C 68.80382 0.3 1 94 11 18 THR CG2 C 21.098527 0.3 1 95 11 18 THR N N 119.022 0.3 1 96 12 19 LEU H H 8.368 0.01 1 97 12 19 LEU HA H 3.89 0.01 1 98 12 19 LEU HB2 H 1.50772 0.01 1 99 12 19 LEU HB3 H 1.50772 0.01 1 100 12 19 LEU HG H 1.477785 0.01 1 101 12 19 LEU HD1 H 0.735618 0.01 1 102 12 19 LEU HD2 H 0.735413 0.01 1 103 12 19 LEU CA C 58.265 0.3 1 104 12 19 LEU CB C 42.597935 0.3 1 105 12 19 LEU CG C 27.475942 0.3 1 106 12 19 LEU CD1 C 25.158742 0.3 1 107 12 19 LEU CD2 C 24.245461 0.3 1 108 12 19 LEU N N 120.609 0.3 1 109 13 20 ALA H H 8.755 0.01 1 110 13 20 ALA HA H 3.816 0.01 1 111 13 20 ALA HB H 1.352061 0.01 1 112 13 20 ALA CA C 55.729 0.3 1 113 13 20 ALA CB C 17.422462 0.3 1 114 13 20 ALA N N 119.231 0.3 1 115 14 21 SER H H 8.318 0.01 1 116 14 21 SER HA H 4.052 0.01 1 117 14 21 SER HB2 H 4.03418 0.01 1 118 14 21 SER HB3 H 3.870382 0.01 1 119 14 21 SER CA C 62.079 0.3 1 120 14 21 SER CB C 63.111056 0.3 1 121 14 21 SER N N 116.251 0.3 1 122 15 22 ALA H H 7.943 0.01 1 123 15 22 ALA HA H 4.166 0.01 1 124 15 22 ALA HB H 1.435877 0.01 1 125 15 22 ALA CA C 54.918 0.3 1 126 15 22 ALA CB C 18.397176 0.3 1 127 15 22 ALA N N 121.629 0.3 1 128 16 23 LEU H H 8.083 0.01 1 129 16 23 LEU HA H 3.885 0.01 1 130 16 23 LEU HB2 H 1.896866 0.01 1 131 16 23 LEU HB3 H 1.202389 0.01 1 132 16 23 LEU HG H 1.968709 0.01 1 133 16 23 LEU HD1 H 0.735413 0.01 1 134 16 23 LEU HD2 H 0.699492 0.01 1 135 16 23 LEU CA C 57.731 0.3 1 136 16 23 LEU CB C 42.20805 0.3 1 137 16 23 LEU CG C 26.918963 0.3 1 138 16 23 LEU CD1 C 25.610061 0.3 1 139 16 23 LEU CD2 C 22.268184 0.3 1 140 16 23 LEU N N 112.541 0.3 1 141 17 24 THR H H 8.044 0.01 1 142 17 24 THR HA H 3.388 0.01 1 143 17 24 THR HB H 4.291615 0.01 1 144 17 24 THR HG2 H 1.118573 0.01 1 145 17 24 THR CA C 67.972 0.3 1 146 17 24 THR CB C 68.859518 0.3 1 147 17 24 THR CG2 C 22.10109 0.3 1 148 17 24 THR N N 116.527 0.3 1 149 18 25 LYS H H 6.81 0.01 1 150 18 25 LYS HA H 4.142 0.01 1 151 18 25 LYS HB2 H 1.759168 0.01 1 152 18 25 LYS HB3 H 2.064499 0.01 1 153 18 25 LYS HG2 H 1.663378 0.01 1 154 18 25 LYS HG3 H 1.435877 0.01 1 155 18 25 LYS HD2 H 1.645418 0.01 1 156 18 25 LYS HD3 H 1.645418 0.01 1 157 18 25 LYS HE2 H 2.938582 0.01 1 158 18 25 LYS HE3 H 2.938582 0.01 1 159 18 25 LYS CA C 56.859 0.3 1 160 18 25 LYS CB C 34.271092 0.3 1 161 18 25 LYS CG C 25.63791 0.3 1 162 18 25 LYS CD C 29.592464 0.3 1 163 18 25 LYS CE C 42.319445 0.3 1 164 18 25 LYS N N 115.841 0.3 1 165 19 26 THR H H 7.419 0.01 1 166 19 26 THR HA H 4.088 0.01 1 167 19 26 THR HB H 4.459247 0.01 1 168 19 26 THR HG2 H 1.435877 0.01 1 169 19 26 THR CA C 61.656 0.3 1 170 19 26 THR CB C 70.16842 0.3 1 171 19 26 THR CG2 C 23.966971 0.3 1 172 19 26 THR N N 108.482 0.3 1 173 20 27 ASN H H 11.715 0.01 1 174 20 27 ASN HA H 4.304 0.01 1 175 20 27 ASN HB2 H 2.543449 0.01 1 176 20 27 ASN HB3 H 2.938582 0.01 1 177 20 27 ASN HD21 H 7.673341 0.01 1 178 20 27 ASN HD22 H 7.421879 0.01 1 179 20 27 ASN CA C 57.247 0.3 1 180 20 27 ASN CB C 39.033266 0.3 1 181 20 27 ASN N N 126.031 0.3 1 182 20 27 ASN ND2 N 118.390018 0.3 1 183 21 28 THR H H 10.495 0.01 1 184 21 28 THR HA H 3.723 0.01 1 185 21 28 THR HB H 4.459247 0.01 1 186 21 28 THR HG2 H 0.998836 0.01 1 187 21 28 THR CA C 68.803478 0.3 1 188 21 28 THR CB C 70.16842 0.3 1 189 21 28 THR CG2 C 20.346605 0.3 1 190 21 28 THR N N 119.223 0.3 1 191 22 29 LEU H H 7.908 0.01 1 192 22 29 LEU HA H 3.92 0.01 1 193 22 29 LEU HB2 H 1.292192 0.01 1 194 22 29 LEU HB3 H 1.657392 0.01 1 195 22 29 LEU HG H 1.483772 0.01 1 196 22 29 LEU HD1 H 0.699492 0.01 1 197 22 29 LEU HD2 H 0.639623 0.01 1 198 22 29 LEU CA C 57.36 0.3 1 199 22 29 LEU CB C 40.982695 0.3 1 200 22 29 LEU CG C 27.782281 0.3 1 201 22 29 LEU CD1 C 25.415118 0.3 1 202 22 29 LEU CD2 C 23.688481 0.3 1 203 22 29 LEU N N 119.484 0.3 1 204 23 30 LYS H H 7.968 0.01 1 205 23 30 LYS HA H 3.843 0.01 1 206 23 30 LYS HB2 H 1.950748 0.01 1 207 23 30 LYS HB3 H 1.950748 0.01 1 208 23 30 LYS HG2 H 1.405943 0.01 1 209 23 30 LYS HG3 H 1.669365 0.01 1 210 23 30 LYS HD2 H 1.639431 0.01 1 211 23 30 LYS HD3 H 1.639431 0.01 1 212 23 30 LYS HE2 H 2.896674 0.01 1 213 23 30 LYS HE3 H 2.896674 0.01 1 214 23 30 LYS CA C 61.078 0.3 1 215 23 30 LYS CB C 32.210268 0.3 1 216 23 30 LYS CG C 25.665759 0.3 1 217 23 30 LYS CD C 29.898803 0.3 1 218 23 30 LYS CE C 42.180201 0.3 1 219 23 30 LYS N N 121.033 0.3 1 220 24 31 ALA H H 8.239 0.01 1 221 24 31 ALA HA H 4.118 0.01 1 222 24 31 ALA HB H 1.334101 0.01 1 223 24 31 ALA CA C 54.892 0.3 1 224 24 31 ALA CB C 18.56427 0.3 1 225 24 31 ALA N N 121.376 0.3 1 226 25 32 VAL H H 7.972 0.01 1 227 25 32 VAL HA H 3.244 0.01 1 228 25 32 VAL HB H 1.801077 0.01 1 229 25 32 VAL HG1 H 0.831203 0.01 1 230 25 32 VAL HG2 H 0.334293 0.01 1 231 25 32 VAL CA C 67.42 0.3 1 232 25 32 VAL CB C 31.903929 0.3 1 233 25 32 VAL CG1 C 22.90871 0.3 1 234 25 32 VAL CG2 C 20.012417 0.3 1 235 25 32 VAL N N 118.009 0.3 1 236 26 33 SER H H 8.092 0.01 1 237 26 33 SER HA H 3.645 0.01 1 238 26 33 SER HB2 H 3.914442 0.01 1 239 26 33 SER HB3 H 3.758783 0.01 1 240 26 33 SER CA C 62.157 0.3 1 241 26 33 SER CB C 63.206176 0.3 1 242 26 33 SER N N 113.107 0.3 1 243 27 34 ALA H H 8.224 0.01 1 244 27 34 ALA HA H 4.178 0.01 1 245 27 34 ALA HB H 1.50772 0.01 1 246 27 34 ALA CA C 54.504 0.3 1 247 27 34 ALA CB C 18.675666 0.3 1 248 27 34 ALA N N 122.069 0.3 1 249 28 35 SER H H 7.441 0.01 1 250 28 35 SER HA H 4.298 0.01 1 251 28 35 SER HB2 H 3.893121 0.01 1 252 28 35 SER HB3 H 3.961455 0.01 1 253 28 35 SER CA C 60.051 0.3 1 254 28 35 SER CB C 64.375833 0.3 1 255 28 35 SER N N 111.99 0.3 1 256 29 36 LYS H H 7.725 0.01 1 257 29 36 LYS HA H 4.01 0.01 1 258 29 36 LYS HB2 H 1.974696 0.01 1 259 29 36 LYS HB3 H 1.723247 0.01 1 260 29 36 LYS HG2 H 1.263542 0.01 1 261 29 36 LYS HG3 H 1.355281 0.01 1 262 29 36 LYS HD2 H 1.693313 0.01 1 263 29 36 LYS HD3 H 1.693313 0.01 1 264 29 36 LYS HE2 H 2.992464 0.01 1 265 29 36 LYS HE3 H 2.992464 0.01 1 266 29 36 LYS CA C 56.859 0.3 1 267 29 36 LYS CB C 30.957064 0.3 1 268 29 36 LYS CG C 25.335128 0.3 1 269 29 36 LYS CD C 29.843105 0.3 1 270 29 36 LYS CE C 42.375143 0.3 1 271 29 36 LYS N N 116.653 0.3 1 272 30 37 PRO HA H 4.501 0.01 1 273 30 37 PRO HB2 H 1.949544 0.01 1 274 30 37 PRO HB3 H 1.838293 0.01 1 275 30 37 PRO HG2 H 1.445386 0.01 1 276 30 37 PRO HG3 H 1.968709 0.01 1 277 30 37 PRO HD2 H 4.029954 0.01 1 278 30 37 PRO HD3 H 3.519309 0.01 1 279 30 37 PRO CA C 62.709 0.3 1 280 30 37 PRO CB C 30.905964 0.3 1 281 30 37 PRO CG C 25.920956 0.3 1 282 30 37 PRO CD C 50.701987 0.3 1 283 31 38 SER H H 8.349 0.01 1 284 31 38 SER HA H 4.286 0.01 1 285 31 38 SER HB2 H 4.237733 0.01 1 286 31 38 SER HB3 H 4.064114 0.01 1 287 31 38 SER CA C 57.739 0.3 1 288 31 38 SER CB C 64.515078 0.3 1 289 31 38 SER N N 115.595 0.3 1 290 32 39 ALA H H 9.039 0.01 1 291 32 39 ALA HA H 4.351 0.01 1 292 32 39 ALA HB H 1.519694 0.01 1 293 32 39 ALA CA C 55.772 0.3 1 294 32 39 ALA CB C 18.954156 0.3 1 295 32 39 ALA N N 124.266 0.3 1 296 33 40 ASN H H 8.301 0.01 1 297 33 40 ASN HA H 4.274 0.01 1 298 33 40 ASN HB2 H 2.699107 0.01 1 299 33 40 ASN HB3 H 2.699107 0.01 1 300 33 40 ASN CA C 56.402 0.3 1 301 33 40 ASN CB C 37.780063 0.3 1 302 33 40 ASN N N 111.722 0.3 1 303 34 41 VAL H H 7.376 0.01 1 304 34 41 VAL HA H 3.166 0.01 1 305 34 41 VAL HB H 1.950748 0.01 1 306 34 41 VAL HG1 H 0.807256 0.01 1 307 34 41 VAL HG2 H 0.274424 0.01 1 308 34 41 VAL CA C 66.634 0.3 1 309 34 41 VAL CB C 31.346949 0.3 1 310 34 41 VAL CG1 C 23.354294 0.3 1 311 34 41 VAL CG2 C 20.541547 0.3 1 312 34 41 VAL N N 123.804 0.3 1 313 35 42 ALA H H 8.558 0.01 1 314 35 42 ALA HA H 3.591 0.01 1 315 35 42 ALA HB H 1.358048 0.01 1 316 35 42 ALA CA C 56.255 0.3 1 317 35 42 ALA CB C 18.062989 0.3 1 318 35 42 ALA N N 122.314 0.3 1 319 36 43 VAL H H 8.507 0.01 1 320 36 43 VAL HA H 3.316 0.01 1 321 36 43 VAL HB H 2.094433 0.01 1 322 36 43 VAL HG1 H 1.12456 0.01 1 323 36 43 VAL HG2 H 0.855151 0.01 1 324 36 43 VAL CA C 67.756 0.3 1 325 36 43 VAL CB C 32.098872 0.3 1 326 36 43 VAL CG1 C 24.52122 0.3 1 327 36 43 VAL CG2 C 22.212486 0.3 1 328 36 43 VAL N N 115.595 0.3 1 329 37 44 ALA H H 7.801 0.01 1 330 37 44 ALA HA H 4.04 0.01 1 331 37 44 ALA HB H 1.465812 0.01 1 332 37 44 ALA CA C 56.048 0.3 1 333 37 44 ALA CB C 18.090838 0.3 1 334 37 44 ALA N N 126.247 0.3 1 335 38 45 ILE H H 8.305 0.01 1 336 38 45 ILE HA H 3.561 0.01 1 337 38 45 ILE HB H 1.765155 0.01 1 338 38 45 ILE HG12 H 1.825024 0.01 1 339 38 45 ILE HG13 H 0.53186 0.01 1 340 38 45 ILE HG2 H 0.861138 0.01 1 341 38 45 ILE HD1 H 0.591728 0.01 1 342 38 45 ILE CA C 66.263 0.3 1 343 38 45 ILE CB C 39.395303 0.3 1 344 38 45 ILE CG1 C 30.065897 0.3 1 345 38 45 ILE CG2 C 17.47816 0.3 1 346 38 45 ILE CD1 C 14.275528 0.3 1 347 38 45 ILE N N 118.344 0.3 1 348 39 46 VAL H H 8.331 0.01 1 349 39 46 VAL HA H 3.573 0.01 1 350 39 46 VAL HB H 2.016604 0.01 1 351 39 46 VAL HG1 H 1.058704 0.01 1 352 39 46 VAL HG2 H 0.867125 0.01 1 353 39 46 VAL CA C 67.074 0.3 1 354 39 46 VAL CB C 32.126721 0.3 1 355 39 46 VAL CG1 C 22.351731 0.3 1 356 39 46 VAL CG2 C 22.435278 0.3 1 357 39 46 VAL N N 117.264 0.3 1 358 40 47 THR H H 9.029 0.01 1 359 40 47 THR HA H 3.831 0.01 1 360 40 47 THR HB H 4.213786 0.01 1 361 40 47 THR HG2 H 1.268245 0.01 1 362 40 47 THR CA C 67.152 0.3 1 363 40 47 THR CB C 68.775971 0.3 1 364 40 47 THR CG2 C 22.351731 0.3 1 365 40 47 THR N N 112.303 0.3 1 366 41 48 SER H H 7.599 0.01 1 367 41 48 SER HA H 4.274 0.01 1 368 41 48 SER HB2 H 4.094048 0.01 1 369 41 48 SER HB3 H 4.094048 0.01 1 370 41 48 SER CA C 62.182 0.3 1 371 41 48 SER CB C 63.066932 0.3 1 372 41 48 SER N N 117.085 0.3 1 373 42 49 GLY H H 7.599 0.01 1 374 42 49 GLY HA2 H 3.956 0.01 1 375 42 49 GLY HA3 H 3.686941 0.01 1 376 42 49 GLY CA C 47.917 0.3 1 377 42 49 GLY N N 107.258 0.3 1 378 43 50 LEU H H 8.595 0.01 1 379 43 50 LEU HA H 3.914 0.01 1 380 43 50 LEU HB2 H 1.765155 0.01 1 381 43 50 LEU HB3 H 1.447851 0.01 1 382 43 50 LEU HG H 1.693313 0.01 1 383 43 50 LEU HD1 H 0.813243 0.01 1 384 43 50 LEU HD2 H 0.735269 0.01 1 385 43 50 LEU CA C 57.782 0.3 1 386 43 50 LEU CB C 42.876425 0.3 1 387 43 50 LEU CG C 26.250587 0.3 1 388 43 50 LEU CD1 C 25.582212 0.3 1 389 43 50 LEU CD2 C 23.953879 0.3 1 390 43 50 LEU N N 122.262 0.3 1 391 44 51 LYS H H 8.589 0.01 1 392 44 51 LYS HA H 3.855 0.01 1 393 44 51 LYS HB2 H 1.896866 0.01 1 394 44 51 LYS HB3 H 1.896866 0.01 1 395 44 51 LYS HG2 H 1.364035 0.01 1 396 44 51 LYS HG3 H 1.585549 0.01 1 397 44 51 LYS HD2 H 1.657392 0.01 1 398 44 51 LYS HD3 H 1.657392 0.01 1 399 44 51 LYS HE2 H 2.968516 0.01 1 400 44 51 LYS HE3 H 2.968516 0.01 1 401 44 51 LYS CA C 60.604 0.3 1 402 44 51 LYS CB C 32.321664 0.3 1 403 44 51 LYS CG C 25.693608 0.3 1 404 44 51 LYS CD C 29.536766 0.3 1 405 44 51 LYS CE C 42.180201 0.3 1 406 44 51 LYS N N 118.851 0.3 1 407 45 52 LYS H H 7.189 0.01 1 408 45 52 LYS HA H 4.16 0.01 1 409 45 52 LYS HB2 H 1.943271 0.01 1 410 45 52 LYS HB3 H 1.847536 0.01 1 411 45 52 LYS HG2 H 1.547264 0.01 1 412 45 52 LYS HG3 H 1.431447 0.01 1 413 45 52 LYS HD2 H 1.705287 0.01 1 414 45 52 LYS HD3 H 1.705287 0.01 1 415 45 52 LYS HE2 H 2.98049 0.01 1 416 45 52 LYS HE3 H 2.98049 0.01 1 417 45 52 LYS CA C 58.326 0.3 1 418 45 52 LYS CB C 32.492491 0.3 1 419 45 52 LYS CG C 24.85217 0.3 1 420 45 52 LYS CD C 28.89624 0.3 1 421 45 52 LYS CE C 42.293992 0.3 1 422 45 52 LYS N N 118.322 0.3 1 423 46 53 ALA H H 8.06 0.01 1 424 46 53 ALA HA H 3.831 0.01 1 425 46 53 ALA HB H 1.543641 0.01 1 426 46 53 ALA CA C 55.539 0.3 1 427 46 53 ALA CB C 20.151662 0.3 1 428 46 53 ALA N N 121.301 0.3 1 429 47 54 LEU H H 9.045 0.01 1 430 47 54 LEU HA H 3.902 0.01 1 431 47 54 LEU HB2 H 1.831011 0.01 1 432 47 54 LEU HB3 H 1.459825 0.01 1 433 47 54 LEU HG H 1.962722 0.01 1 434 47 54 LEU HD1 H 0.903046 0.01 1 435 47 54 LEU HD2 H 0.783308 0.01 1 436 47 54 LEU CA C 57.929 0.3 1 437 47 54 LEU CB C 40.425715 0.3 1 438 47 54 LEU CG C 27.058207 0.3 1 439 47 54 LEU CD1 C 26.111342 0.3 1 440 47 54 LEU CD2 C 22.853012 0.3 1 441 47 54 LEU N N 116.206 0.3 1 442 48 55 GLY H H 7.739 0.01 1 443 48 55 GLY HA2 H 3.88764 0.01 1 444 48 55 GLY HA3 H 3.932 0.01 1 445 48 55 GLY CA C 46.859 0.3 1 446 48 55 GLY N N 106.001 0.3 1 447 49 56 ALA H H 7.763 0.01 1 448 49 56 ALA HA H 4.178 0.01 1 449 49 56 ALA HB H 1.405943 0.01 1 450 49 56 ALA CA C 54.573 0.3 1 451 49 56 ALA CB C 18.369327 0.3 1 452 49 56 ALA N N 125.57 0.3 1 453 50 57 LEU H H 7.519 0.01 1 454 50 57 LEU HA H 4.178 0.01 1 455 50 57 LEU HB2 H 1.831011 0.01 1 456 50 57 LEU HB3 H 1.597523 0.01 1 457 50 57 LEU HG H 1.771142 0.01 1 458 50 57 LEU HD1 H 0.777321 0.01 1 459 50 57 LEU HD2 H 1.016796 0.01 1 460 50 57 LEU CA C 54.961 0.3 1 461 50 57 LEU CB C 44.213176 0.3 1 462 50 57 LEU CG C 27.25315 0.3 1 463 50 57 LEU CD1 C 25.916399 0.3 1 464 50 57 LEU CD2 C 23.966971 0.3 1 465 50 57 LEU N N 116.176 0.3 1 466 51 58 ARG H H 7.782 0.01 1 467 51 58 ARG HA H 3.92 0.01 1 468 51 58 ARG HB2 H 1.523841 0.01 1 469 51 58 ARG HB3 H 1.523841 0.01 1 470 51 58 ARG HG2 H 1.903526 0.01 1 471 51 58 ARG HG3 H 2.017269 0.01 1 472 51 58 ARG HD2 H 3.207991 0.01 1 473 51 58 ARG HD3 H 3.207991 0.01 1 474 51 58 ARG CA C 56.894 0.3 1 475 51 58 ARG CB C 27.559489 0.3 1 476 51 58 ARG CG C 26.699611 0.3 1 477 51 58 ARG CD C 43.739743 0.3 1 478 51 58 ARG N N 115.327 0.3 1 479 52 59 ILE H H 7.381 0.01 1 480 52 59 ILE HA H 4.052 0.01 1 481 52 59 ILE HB H 1.705287 0.01 1 482 52 59 ILE HG12 H 1.477785 0.01 1 483 52 59 ILE HG13 H 1.238311 0.01 1 484 52 59 ILE HG2 H 0.938967 0.01 1 485 52 59 ILE HD1 H 0.675545 0.01 1 486 52 59 ILE CA C 59.465 0.3 1 487 52 59 ILE CB C 36.7775 0.3 1 488 52 59 ILE CG1 C 27.921526 0.3 1 489 52 59 ILE CG2 C 17.979442 0.3 1 490 52 59 ILE CD1 C 10.348823 0.3 1 491 52 59 ILE N N 118.612 0.3 1 492 53 60 ASN H H 8.503 0.01 1 493 53 60 ASN HA H 4.435 0.01 1 494 53 60 ASN HB2 H 3.130162 0.01 1 495 53 60 ASN HB3 H 2.752989 0.01 1 496 53 60 ASN HD21 H 7.787714 0.01 1 497 53 60 ASN HD22 H 6.987891 0.01 1 498 53 60 ASN CA C 54.219 0.3 1 499 53 60 ASN CB C 39.896585 0.3 1 500 53 60 ASN N N 124.728 0.3 1 501 53 60 ASN ND2 N 114.488833 0.3 1 502 54 61 ALA HA H 4.064 0.01 1 503 54 61 ALA HB H 1.441864 0.01 1 504 54 61 ALA CA C 55.772 0.3 1 505 54 61 ALA CB C 18.926307 0.3 1 506 55 62 GLY H H 8.479 0.01 1 507 55 62 GLY HA2 H 3.920429 0.01 1 508 55 62 GLY HA3 H 3.920429 0.01 1 509 55 62 GLY CA C 47.165 0.3 1 510 55 62 GLY N N 108.675 0.3 1 511 56 63 VAL H H 8.035 0.01 1 512 56 63 VAL HA H 3.687 0.01 1 513 56 63 VAL HB H 1.89088 0.01 1 514 56 63 VAL HG1 H 1.070678 0.01 1 515 56 63 VAL HG2 H 0.753374 0.01 1 516 56 63 VAL CA C 66.16 0.3 1 517 56 63 VAL CB C 31.59759 0.3 1 518 56 63 VAL CG1 C 23.354294 0.3 1 519 56 63 VAL CG2 C 21.460563 0.3 1 520 56 63 VAL N N 124.251 0.3 1 521 57 64 SER H H 8.551 0.01 1 522 57 64 SER HA H 3.992 0.01 1 523 57 64 SER HB2 H 3.800692 0.01 1 524 57 64 SER HB3 H 3.800692 0.01 1 525 57 64 SER CA C 62.881 0.3 1 526 57 64 SER CB C 62.732744 0.3 1 527 57 64 SER N N 115.29 0.3 1 528 58 65 SER H H 8.176 0.01 1 529 58 65 SER HA H 4.238 0.01 1 530 58 65 SER HB2 H 3.993342 0.01 1 531 58 65 SER HB3 H 3.993342 0.01 1 532 58 65 SER CA C 61.656 0.3 1 533 58 65 SER CB C 62.799909 0.3 1 534 58 65 SER N N 117.711 0.3 1 535 59 66 GLN H H 7.737 0.01 1 536 59 66 GLN HA H 4.046 0.01 1 537 59 66 GLN HB2 H 2.234735 0.01 1 538 59 66 GLN HB3 H 2.150776 0.01 1 539 59 66 GLN HG2 H 2.561409 0.01 1 540 59 66 GLN HG3 H 2.292 0.01 1 541 59 66 GLN HE21 H 7.274032 0.01 1 542 59 66 GLN HE22 H 6.686735 0.01 1 543 59 66 GLN CA C 59.249 0.3 1 544 59 66 GLN CB C 28.979787 0.3 1 545 59 66 GLN CG C 33.964753 0.3 1 546 59 66 GLN N N 122.746 0.3 1 547 59 66 GLN NE2 N 110.300264 0.3 1 548 60 67 LEU H H 8.804 0.01 1 549 60 67 LEU HA H 3.98 0.01 1 550 60 67 LEU HB2 H 1.860945 0.01 1 551 60 67 LEU HB3 H 1.723247 0.01 1 552 60 67 LEU HG H 1.705287 0.01 1 553 60 67 LEU HD1 H 0.867125 0.01 1 554 60 67 LEU HD2 H 0.93298 0.01 1 555 60 67 LEU CA C 60.483 0.3 1 556 60 67 LEU CB C 43.377707 0.3 1 557 60 67 LEU CG C 29.394791 0.3 1 558 60 67 LEU CD1 C 28.144317 0.3 1 559 60 67 LEU CD2 C 26.111342 0.3 1 560 60 67 LEU N N 121.748 0.3 1 561 61 68 THR H H 8.654 0.01 1 562 61 68 THR HA H 3.675 0.01 1 563 61 68 THR HB H 4.237733 0.01 1 564 61 68 THR HG2 H 1.172455 0.01 1 565 61 68 THR CA C 67.713 0.3 1 566 61 68 THR CB C 67.968351 0.3 1 567 61 68 THR CG2 C 21.961845 0.3 1 568 61 68 THR N N 114.366 0.3 1 569 62 69 SER H H 8.161 0.01 1 570 62 69 SER HA H 4.232 0.01 1 571 62 69 SER HB2 H 3.974311 0.01 1 572 62 69 SER HB3 H 3.974311 0.01 1 573 62 69 SER CA C 62.217 0.3 1 574 62 69 SER CB C 62.899838 0.3 1 575 62 69 SER N N 119.141 0.3 1 576 63 70 ALA H H 7.921 0.01 1 577 63 70 ALA HA H 4.178 0.01 1 578 63 70 ALA HB H 1.495746 0.01 1 579 63 70 ALA CA C 55.418 0.3 1 580 63 70 ALA CB C 19.065552 0.3 1 581 63 70 ALA N N 124.393 0.3 1 582 64 71 VAL H H 8.548 0.01 1 583 64 71 VAL HA H 3.765 0.01 1 584 64 71 VAL HB H 1.879411 0.01 1 585 64 71 VAL HG1 H 1.154494 0.01 1 586 64 71 VAL HG2 H 0.938967 0.01 1 587 64 71 VAL CA C 66.419 0.3 1 588 64 71 VAL CB C 31.965816 0.3 1 589 64 71 VAL CG1 C 24.496102 0.3 1 590 64 71 VAL CG2 C 23.688481 0.3 1 591 64 71 VAL N N 118.888 0.3 1 592 65 72 SER H H 8.36 0.01 1 593 65 72 SER HA H 3.92 0.01 1 594 65 72 SER HB2 H 3.918058 0.01 1 595 65 72 SER HB3 H 3.918058 0.01 1 596 65 72 SER CA C 63.235 0.3 1 597 65 72 SER CB C 63.290727 0.3 1 598 65 72 SER N N 115.469 0.3 1 599 66 73 GLN H H 7.676 0.01 1 600 66 73 GLN HA H 3.938 0.01 1 601 66 73 GLN HB2 H 2.075301 0.01 1 602 66 73 GLN HB3 H 2.075301 0.01 1 603 66 73 GLN HG2 H 2.429698 0.01 1 604 66 73 GLN HG3 H 2.313062 0.01 1 605 66 73 GLN HE21 H 7.291056 0.01 1 606 66 73 GLN HE22 H 6.800909 0.01 1 607 66 73 GLN CA C 58.844 0.3 1 608 66 73 GLN CB C 28.809581 0.3 1 609 66 73 GLN CG C 34.151869 0.3 1 610 66 73 GLN N N 118.918 0.3 1 611 66 73 GLN NE2 N 111.992251 0.3 1 612 67 74 ALA H H 7.39 0.01 1 613 67 74 ALA HA H 4.154 0.01 1 614 67 74 ALA HB H 1.645418 0.01 1 615 67 74 ALA CA C 55.323 0.3 1 616 67 74 ALA CB C 19.483286 0.3 1 617 67 74 ALA N N 120.72 0.3 1 618 68 75 VAL H H 9.069 0.01 1 619 68 75 VAL HA H 3.447 0.01 1 620 68 75 VAL HB H 2.022591 0.01 1 621 68 75 VAL HG1 H 0.974888 0.01 1 622 68 75 VAL HG2 H 0.813243 0.01 1 623 68 75 VAL CA C 66.591 0.3 1 624 68 75 VAL CB C 31.514043 0.3 1 625 68 75 VAL CG1 C 25.053081 0.3 1 626 68 75 VAL CG2 C 22.296033 0.3 1 627 68 75 VAL N N 119.335 0.3 1 628 69 76 ALA H H 8.37 0.01 1 629 69 76 ALA HA H 3.962 0.01 1 630 69 76 ALA HB H 1.399956 0.01 1 631 69 76 ALA CA C 54.512 0.3 1 632 69 76 ALA CB C 18.03514 0.3 1 633 69 76 ALA N N 122.568 0.3 1 634 70 77 ASN H H 6.987 0.01 1 635 70 77 ASN HA H 4.651 0.01 1 636 70 77 ASN HB2 H 2.872727 0.01 1 637 70 77 ASN HB3 H 2.633252 0.01 1 638 70 77 ASN HD21 H 7.52809 0.01 1 639 70 77 ASN HD22 H 6.840341 0.01 1 640 70 77 ASN CA C 52.994 0.3 1 641 70 77 ASN CB C 39.896585 0.3 1 642 70 77 ASN N N 113.242 0.3 1 643 70 77 ASN ND2 N 112.32168 0.3 1 644 71 78 VAL H H 7.284 0.01 1 645 71 78 VAL HA H 3.591 0.01 1 646 71 78 VAL HB H 1.825024 0.01 1 647 71 78 VAL HG1 H 0.663571 0.01 1 648 71 78 VAL HG2 H -0.177599 0.01 1 649 71 78 VAL CA C 63.037 0.3 1 650 71 78 VAL CB C 31.59759 0.3 1 651 71 78 VAL CG1 C 22.936559 0.3 1 652 71 78 VAL CG2 C 20.458 0.3 1 653 71 78 VAL N N 122.456 0.3 1 654 72 79 ARG H H 8.7 0.01 1 655 72 79 ARG HA H 4.387 0.01 1 656 72 79 ARG HB2 H 1.698945 0.01 1 657 72 79 ARG HB3 H 1.619676 0.01 1 658 72 79 ARG HG2 H 1.698945 0.01 1 659 72 79 ARG HG3 H 1.613689 0.01 1 660 72 79 ARG HD2 H 3.190031 0.01 1 661 72 79 ARG HD3 H 3.190031 0.01 1 662 72 79 ARG CA C 54.487 0.3 1 663 72 79 ARG CB C 29.840188 0.3 1 664 72 79 ARG CG C 26.772268 0.3 1 665 72 79 ARG CD C 43.461253 0.3 1 666 72 79 ARG N N 108.757 0.3 1 667 73 80 PRO HA H 4.399 0.01 1 668 73 80 PRO HB2 H 2.160289 0.01 1 669 73 80 PRO HB3 H 1.6993 0.01 1 670 73 80 PRO HG2 H 2.064499 0.01 1 671 73 80 PRO HG3 H 2.064499 0.01 1 672 73 80 PRO HD2 H 4.138073 0.01 1 673 73 80 PRO HD3 H 3.567087 0.01 1 674 73 80 PRO CA C 64.339 0.3 1 675 73 80 PRO CB C 32.043174 0.3 1 676 73 80 PRO CG C 28.144317 0.3 1 677 73 80 PRO CD C 51.387256 0.3 1 678 74 81 GLY H H 9.447 0.01 1 679 74 81 GLY HA2 H 4.34 0.01 1 680 74 81 GLY HA3 H 4.117996 0.01 1 681 74 81 GLY CA C 45.188 0.3 1 682 74 81 GLY N N 111.647 0.3 1 683 75 82 SER H H 7.6 0.01 1 684 75 82 SER HA H 4.477 0.01 1 685 75 82 SER HB2 H 3.734836 0.01 1 686 75 82 SER HB3 H 3.387597 0.01 1 687 75 82 SER CA C 60.509 0.3 1 688 75 82 SER CB C 64.710021 0.3 1 689 75 82 SER N N 116.057 0.3 1 690 76 83 SER H H 8.726 0.01 1 691 76 83 SER HA H 4.693 0.01 1 692 76 83 SER HB2 H 4.369444 0.01 1 693 76 83 SER HB3 H 4.046153 0.01 1 694 76 83 SER CA C 57.247 0.3 1 695 76 83 SER CB C 63.011234 0.3 1 696 76 83 SER N N 118.456 0.3 1 697 77 84 PRO HA H 4.262 0.01 1 698 77 84 PRO HB2 H 2.154302 0.01 1 699 77 84 PRO HB3 H 2.154302 0.01 1 700 77 84 PRO HG2 H 2.064499 0.01 1 701 77 84 PRO HG3 H 2.315947 0.01 1 702 77 84 PRO HD2 H 4.040166 0.01 1 703 77 84 PRO HD3 H 4.040166 0.01 1 704 77 84 PRO CA C 66.565 0.3 1 705 77 84 PRO CB C 32.349513 0.3 1 706 77 84 PRO CG C 28.868391 0.3 1 707 77 84 PRO CD C 50.423497 0.3 1 708 78 85 ALA H H 8.085 0.01 1 709 78 85 ALA HA H 4.513 0.01 1 710 78 85 ALA HB H 1.358048 0.01 1 711 78 85 ALA CA C 54.59 0.3 1 712 78 85 ALA CB C 18.982005 0.3 1 713 78 85 ALA N N 117.189 0.3 1 714 79 86 VAL H H 7.741 0.01 1 715 79 86 VAL HA H 3.609 0.01 1 716 79 86 VAL HB H 2.130354 0.01 1 717 79 86 VAL HG1 H 1.058704 0.01 1 718 79 86 VAL HG2 H 0.861138 0.01 1 719 79 86 VAL CA C 66.307 0.3 1 720 79 86 VAL CB C 31.820382 0.3 1 721 79 86 VAL CG1 C 22.713767 0.3 1 722 79 86 VAL CG2 C 22.602371 0.3 1 723 79 86 VAL N N 119.946 0.3 1 724 80 87 TYR H H 7.207 0.01 1 725 80 87 TYR HA H 3.867 0.01 1 726 80 87 TYR HB2 H 2.968516 0.01 1 727 80 87 TYR HB3 H 2.621278 0.01 1 728 80 87 TYR HD1 H 6.86303 0.01 1 729 80 87 TYR HD2 H 6.86303 0.01 1 730 80 87 TYR HE1 H 6.721769 0.01 1 731 80 87 TYR HE2 H 6.721769 0.01 1 732 80 87 TYR CA C 63.675 0.3 1 733 80 87 TYR CB C 39.924434 0.3 1 734 80 87 TYR CD2 C 132.577972 0.3 1 735 80 87 TYR CE2 C 117.806647 0.3 1 736 80 87 TYR N N 117.577 0.3 1 737 81 88 ALA H H 8.962 0.01 1 738 81 88 ALA HA H 3.711 0.01 1 739 81 88 ALA HB H 1.50772 0.01 1 740 81 88 ALA CA C 55.781 0.3 1 741 81 88 ALA CB C 20.792188 0.3 1 742 81 88 ALA N N 118.761 0.3 1 743 82 89 LYS H H 7.727 0.01 1 744 82 89 LYS HA H 3.807 0.01 1 745 82 89 LYS HB2 H 1.872919 0.01 1 746 82 89 LYS HB3 H 1.872919 0.01 1 747 82 89 LYS HG2 H 1.417917 0.01 1 748 82 89 LYS HG3 H 1.417917 0.01 1 749 82 89 LYS HD2 H 1.615483 0.01 1 750 82 89 LYS HD3 H 1.615483 0.01 1 751 82 89 LYS HE2 H 2.872727 0.01 1 752 82 89 LYS HE3 H 2.872727 0.01 1 753 82 89 LYS CA C 60.155 0.3 1 754 82 89 LYS CB C 32.321664 0.3 1 755 82 89 LYS CG C 25.35942 0.3 1 756 82 89 LYS CD C 29.119032 0.3 1 757 82 89 LYS CE C 42.013107 0.3 1 758 82 89 LYS N N 117.778 0.3 1 759 83 90 ALA H H 7.182 0.01 1 760 83 90 ALA HA H 4.022 0.01 1 761 83 90 ALA HB H 1.214363 0.01 1 762 83 90 ALA CA C 54.366 0.3 1 763 83 90 ALA CB C 18.452874 0.3 1 764 83 90 ALA N N 120.81 0.3 1 765 84 91 ILE H H 7.109 0.01 1 766 84 91 ILE HA H 3.861 0.01 1 767 84 91 ILE HB H 1.591536 0.01 1 768 84 91 ILE HG12 H 2.052525 0.01 1 769 84 91 ILE HG13 H 0.675545 0.01 1 770 84 91 ILE HG2 H 0.633637 0.01 1 771 84 91 ILE HD1 H 0.7414 0.01 1 772 84 91 ILE CA C 63.373 0.3 1 773 84 91 ILE CB C 40.342168 0.3 1 774 84 91 ILE CG1 C 28.005073 0.3 1 775 84 91 ILE CG2 C 17.255368 0.3 1 776 84 91 ILE CD1 C 14.526169 0.3 1 777 84 91 ILE N N 109.964 0.3 1 778 85 92 ALA H H 8.77 0.01 1 779 85 92 ALA HA H 3.777 0.01 1 780 85 92 ALA HB H 1.393969 0.01 1 781 85 92 ALA CA C 55.789 0.3 1 782 85 92 ALA CB C 20.931433 0.3 1 783 85 92 ALA N N 120.162 0.3 1 784 86 93 ALA H H 8.513 0.01 1 785 86 93 ALA HA H 4.31 0.01 1 786 86 93 ALA HB H 1.441864 0.01 1 787 86 93 ALA CA C 56.756 0.3 1 788 86 93 ALA CB C 15.417336 0.3 1 789 86 93 ALA N N 116.824 0.3 1 790 87 94 PRO HA H 4.405 0.01 1 791 87 94 PRO HB2 H 2.202197 0.01 1 792 87 94 PRO HB3 H 1.543641 0.01 1 793 87 94 PRO HG2 H 1.944761 0.01 1 794 87 94 PRO HG3 H 2.19621 0.01 1 795 87 94 PRO HD2 H 3.74681 0.01 1 796 87 94 PRO HD3 H 3.477401 0.01 1 797 87 94 PRO CA C 65.185 0.3 1 798 87 94 PRO CB C 30.734272 0.3 1 799 87 94 PRO CG C 28.673448 0.3 1 800 87 94 PRO CD C 51.036175 0.3 1 801 88 95 SER H H 6.474 0.01 1 802 88 95 SER HA H 3.861 0.01 1 803 88 95 SER HB2 H 3.453453 0.01 1 804 88 95 SER HB3 H 3.453453 0.01 1 805 88 95 SER CA C 62.735 0.3 1 806 88 95 SER CB C 63.039083 0.3 1 807 88 95 SER N N 108.653 0.3 1 808 89 96 VAL H H 8.22 0.01 1 809 89 96 VAL HA H 3.226 0.01 1 810 89 96 VAL HB H 2.178249 0.01 1 811 89 96 VAL HG1 H 0.771335 0.01 1 812 89 96 VAL HG2 H 0.91502 0.01 1 813 89 96 VAL CA C 67.644 0.3 1 814 89 96 VAL CB C 30.929215 0.3 1 815 89 96 VAL CG1 C 24.245461 0.3 1 816 89 96 VAL CG2 C 23.688481 0.3 1 817 89 96 VAL N N 120.951 0.3 1 818 90 97 GLN H H 7.922 0.01 1 819 90 97 GLN HA H 3.873 0.01 1 820 90 97 GLN HB2 H 2.106407 0.01 1 821 90 97 GLN HB3 H 2.106407 0.01 1 822 90 97 GLN HG2 H 2.420122 0.01 1 823 90 97 GLN HG3 H 2.293648 0.01 1 824 90 97 GLN HE21 H 7.37801 0.01 1 825 90 97 GLN HE22 H 6.722045 0.01 1 826 90 97 GLN CA C 59.818 0.3 1 827 90 97 GLN CB C 28.255713 0.3 1 828 90 97 GLN CG C 33.686263 0.3 1 829 90 97 GLN N N 117.435 0.3 1 830 90 97 GLN NE2 N 110.948706 0.3 1 831 91 98 ILE H H 7.532 0.01 1 832 91 98 ILE HA H 4.052 0.01 1 833 91 98 ILE HB H 1.765155 0.01 1 834 91 98 ILE HG12 H 1.543641 0.01 1 835 91 98 ILE HG13 H 1.340087 0.01 1 836 91 98 ILE HG2 H 0.81923 0.01 1 837 91 98 ILE HD1 H 0.7414 0.01 1 838 91 98 ILE CA C 63.201 0.3 1 839 91 98 ILE CB C 37.612969 0.3 1 840 91 98 ILE CG1 C 29.759558 0.3 1 841 91 98 ILE CG2 C 18.425025 0.3 1 842 91 98 ILE CD1 C 12.883079 0.3 1 843 91 98 ILE N N 117.875 0.3 1 844 92 99 LEU H H 8.481 0.01 1 845 92 99 LEU HA H 3.807 0.01 1 846 92 99 LEU HB2 H 1.896866 0.01 1 847 92 99 LEU HB3 H 1.094626 0.01 1 848 92 99 LEU HG H 1.896866 0.01 1 849 92 99 LEU HD1 H 0.45403 0.01 1 850 92 99 LEU HD2 H 0.573768 0.01 1 851 92 99 LEU CA C 59.171 0.3 1 852 92 99 LEU CB C 41.205486 0.3 1 853 92 99 LEU CG C 26.139191 0.3 1 854 92 99 LEU CD1 C 24.858138 0.3 1 855 92 99 LEU CD2 C 22.10109 0.3 1 856 92 99 LEU N N 123.357 0.3 1 857 93 100 VAL H H 8.777 0.01 1 858 93 100 VAL HA H 3.873 0.01 1 859 93 100 VAL HB H 2.130354 0.01 1 860 93 100 VAL HG1 H 0.789295 0.01 1 861 93 100 VAL HG2 H 0.921006 0.01 1 862 93 100 VAL CA C 66.496 0.3 1 863 93 100 VAL CB C 31.764684 0.3 1 864 93 100 VAL CG1 C 23.298596 0.3 1 865 93 100 VAL CG2 C 21.488412 0.3 1 866 93 100 VAL N N 118.18 0.3 1 867 94 101 SER H H 8.66 0.01 1 868 94 101 SER HA H 4.226 0.01 1 869 94 101 SER HB2 H 3.998258 0.01 1 870 94 101 SER HB3 H 3.998258 0.01 1 871 94 101 SER CA C 62.39 0.3 1 872 94 101 SER CB C 62.732744 0.3 1 873 94 101 SER N N 118.471 0.3 1 874 95 102 SER H H 8.048 0.01 1 875 95 102 SER HA H 4.441 0.01 1 876 95 102 SER HB2 H 4.12997 0.01 1 877 95 102 SER HB3 H 4.12997 0.01 1 878 95 102 SER CA C 59.301 0.3 1 879 95 102 SER CB C 65.935376 0.3 1 880 95 102 SER N N 112.698 0.3 1 881 96 103 GLY H H 7.955 0.01 1 882 96 103 GLY HA2 H 4.25 0.01 1 883 96 103 GLY HA3 H 3.93839 0.01 1 884 96 103 GLY CA C 45.968 0.3 1 885 96 103 GLY N N 110.277 0.3 1 886 97 104 SER H H 8.216 0.01 1 887 97 104 SER HA H 4.292 0.01 1 888 97 104 SER HB2 H 3.920429 0.01 1 889 97 104 SER HB3 H 3.76477 0.01 1 890 97 104 SER CA C 61.535 0.3 1 891 97 104 SER CB C 64.041646 0.3 1 892 97 104 SER N N 115.595 0.3 1 893 98 105 VAL H H 7.288 0.01 1 894 98 105 VAL HA H 4.884 0.01 1 895 98 105 VAL HB H 1.477785 0.01 1 896 98 105 VAL HG1 H 0.843177 0.01 1 897 98 105 VAL HG2 H 0.621663 0.01 1 898 98 105 VAL CA C 59.111 0.3 1 899 98 105 VAL CB C 35.050863 0.3 1 900 98 105 VAL CG1 C 23.688481 0.3 1 901 98 105 VAL CG2 C 21.655506 0.3 1 902 98 105 VAL N N 116.579 0.3 1 903 99 106 ASN H H 9.179 0.01 1 904 99 106 ASN HA H 4.627 0.01 1 905 99 106 ASN HB2 H 3.106214 0.01 1 906 99 106 ASN HB3 H 2.78891 0.01 1 907 99 106 ASN HD21 H 7.645923 0.01 1 908 99 106 ASN HD22 H 6.742696 0.01 1 909 99 106 ASN CA C 51.838 0.3 1 910 99 106 ASN CB C 40.676356 0.3 1 911 99 106 ASN N N 123.722 0.3 1 912 99 106 ASN ND2 N 115.078854 0.3 1 913 100 107 ASN H H 8.667 0.01 1 914 100 107 ASN HA H 4.292 0.01 1 915 100 107 ASN HB2 H 2.764963 0.01 1 916 100 107 ASN HB3 H 2.764963 0.01 1 917 100 107 ASN HD21 H 7.521367 0.01 1 918 100 107 ASN HD22 H 6.726974 0.01 1 919 100 107 ASN CA C 56.894 0.3 1 920 100 107 ASN CB C 38.281344 0.3 1 921 100 107 ASN N N 115.148 0.3 1 922 100 107 ASN ND2 N 110.803402 0.3 1 923 101 108 ASN H H 8.471 0.01 1 924 101 108 ASN HA H 4.711 0.01 1 925 101 108 ASN HB2 H 2.830818 0.01 1 926 101 108 ASN HB3 H 2.830818 0.01 1 927 101 108 ASN HD21 H 7.57777 0.01 1 928 101 108 ASN HD22 H 7.007927 0.01 1 929 101 108 ASN CA C 55.306 0.3 1 930 101 108 ASN CB C 39.256058 0.3 1 931 101 108 ASN N N 115.201 0.3 1 932 101 108 ASN ND2 N 113.313194 0.3 1 933 102 109 ASN H H 7.854 0.01 1 934 102 109 ASN HA H 5.124 0.01 1 935 102 109 ASN HB2 H 3.381611 0.01 1 936 102 109 ASN HB3 H 2.699107 0.01 1 937 102 109 ASN HD21 H 7.315341 0.01 1 938 102 109 ASN HD22 H 6.409763 0.01 1 939 102 109 ASN CA C 51.95 0.3 1 940 102 109 ASN CB C 39.088964 0.3 1 941 102 109 ASN N N 116.78 0.3 1 942 102 109 ASN ND2 N 105.594483 0.3 1 943 103 110 ALA H H 7.447 0.01 1 944 103 110 ALA HA H 3.747 0.01 1 945 103 110 ALA HB H 1.42989 0.01 1 946 103 110 ALA CA C 57.058 0.3 1 947 103 110 ALA CB C 19.511135 0.3 1 948 103 110 ALA N N 121.808 0.3 1 949 104 111 LYS H H 8.344 0.01 1 950 104 111 LYS HA H 3.992 0.01 1 951 104 111 LYS HB2 H 1.902853 0.01 1 952 104 111 LYS HB3 H 1.902853 0.01 1 953 104 111 LYS HG2 H 1.555043 0.01 1 954 104 111 LYS HG3 H 1.462743 0.01 1 955 104 111 LYS HD2 H 1.747195 0.01 1 956 104 111 LYS HD3 H 1.747195 0.01 1 957 104 111 LYS HE2 H 2.96253 0.01 1 958 104 111 LYS HE3 H 2.96253 0.01 1 959 104 111 LYS CA C 60.284 0.3 1 960 104 111 LYS CB C 32.321664 0.3 1 961 104 111 LYS CG C 25.316419 0.3 1 962 104 111 LYS CD C 29.676011 0.3 1 963 104 111 LYS CE C 42.375143 0.3 1 964 104 111 LYS N N 114.873 0.3 1 965 105 112 GLN H H 7.892 0.01 1 966 105 112 GLN HA H 4.094 0.01 1 967 105 112 GLN HB2 H 2.154302 0.01 1 968 105 112 GLN HB3 H 2.154302 0.01 1 969 105 112 GLN HG2 H 2.405751 0.01 1 970 105 112 GLN HG3 H 2.405751 0.01 1 971 105 112 GLN CA C 59.137 0.3 1 972 105 112 GLN CB C 28.33926 0.3 1 973 105 112 GLN CG C 34.103998 0.3 1 974 105 112 GLN N N 120.72 0.3 1 975 106 113 VAL H H 8.693 0.01 1 976 106 113 VAL HA H 3.567 0.01 1 977 106 113 VAL HB H 1.920814 0.01 1 978 106 113 VAL HG1 H 0.998836 0.01 1 979 106 113 VAL HG2 H 0.693505 0.01 1 980 106 113 VAL CA C 66.496 0.3 1 981 106 113 VAL CB C 31.848231 0.3 1 982 106 113 VAL CG1 C 23.131502 0.3 1 983 106 113 VAL CG2 C 20.541547 0.3 1 984 106 113 VAL N N 120.556 0.3 1 985 107 114 ALA H H 8.75 0.01 1 986 107 114 ALA HA H 3.813 0.01 1 987 107 114 ALA HB H 1.370022 0.01 1 988 107 114 ALA CA C 55.884 0.3 1 989 107 114 ALA CB C 18.174384 0.3 1 990 107 114 ALA N N 119.655 0.3 1 991 108 115 SER H H 8.162 0.01 1 992 108 115 SER HA H 4.304 0.01 1 993 108 115 SER HB2 H 3.992271 0.01 1 994 108 115 SER HB3 H 3.992271 0.01 1 995 108 115 SER CA C 61.95 0.3 1 996 108 115 SER CB C 63.289723 0.3 1 997 108 115 SER N N 115.469 0.3 1 998 109 116 THR H H 8.218 0.01 1 999 109 116 THR HA H 4.052 0.01 1 1000 109 116 THR HB H 4.141943 0.01 1 1001 109 116 THR HG2 H 1.106599 0.01 1 1002 109 116 THR CA C 67.195 0.3 1 1003 109 116 THR CB C 68.831669 0.3 1 1004 109 116 THR CG2 C 22.407429 0.3 1 1005 109 116 THR N N 119.201 0.3 1 1006 110 117 LEU H H 9.083 0.01 1 1007 110 117 LEU HA H 3.92 0.01 1 1008 110 117 LEU HB2 H 1.760092 0.01 1 1009 110 117 LEU HB3 H 1.690482 0.01 1 1010 110 117 LEU HG H 1.41193 0.01 1 1011 110 117 LEU HD1 H 0.633637 0.01 1 1012 110 117 LEU HD2 H 0.64561 0.01 1 1013 110 117 LEU CA C 59.025 0.3 1 1014 110 117 LEU CB C 43.210613 0.3 1 1015 110 117 LEU CG C 27.225301 0.3 1 1016 110 117 LEU CD1 C 25.263555 0.3 1 1017 110 117 LEU CD2 C 24.245461 0.3 1 1018 110 117 LEU N N 122.329 0.3 1 1019 111 118 SER H H 8.052 0.01 1 1020 111 118 SER HA H 3.747 0.01 1 1021 111 118 SER HB2 H 3.74681 0.01 1 1022 111 118 SER HB3 H 3.74681 0.01 1 1023 111 118 SER CA C 63.848 0.3 1 1024 111 118 SER CB C 63.958099 0.3 1 1025 111 118 SER N N 113.018 0.3 1 1026 112 119 GLU H H 8.358 0.01 1 1027 112 119 GLU HA H 3.741 0.01 1 1028 112 119 GLU HB2 H 2.078307 0.01 1 1029 112 119 GLU HB3 H 1.956735 0.01 1 1030 112 119 GLU HG2 H 2.198565 0.01 1 1031 112 119 GLU HG3 H 2.100267 0.01 1 1032 112 119 GLU CA C 60.431 0.3 1 1033 112 119 GLU CB C 29.199459 0.3 1 1034 112 119 GLU CG C 35.713596 0.3 1 1035 112 119 GLU N N 122.329 0.3 1 1036 113 120 ASN H H 7.265 0.01 1 1037 113 120 ASN HA H 4.375 0.01 1 1038 113 120 ASN HB2 H 2.669173 0.01 1 1039 113 120 ASN HB3 H 2.178249 0.01 1 1040 113 120 ASN HD21 H 7.963189 0.01 1 1041 113 120 ASN HD22 H 7.720344 0.01 1 1042 113 120 ASN CA C 57.523 0.3 1 1043 113 120 ASN CB C 40.787752 0.3 1 1044 113 120 ASN N N 113.629 0.3 1 1045 113 120 ASN ND2 N 115.78776 0.3 1 1046 114 121 LEU H H 8.417 0.01 1 1047 114 121 LEU HA H 3.944 0.01 1 1048 114 121 LEU HB2 H 1.6993 0.01 1 1049 114 121 LEU HB3 H 1.6993 0.01 1 1050 114 121 LEU HG H 1.531667 0.01 1 1051 114 121 LEU HD1 H 0.801269 0.01 1 1052 114 121 LEU HD2 H 0.770004 0.01 1 1053 114 121 LEU CA C 58.619 0.3 1 1054 114 121 LEU CB C 43.489102 0.3 1 1055 114 121 LEU CG C 27.197452 0.3 1 1056 114 121 LEU CD1 C 25.693608 0.3 1 1057 114 121 LEU CD2 C 24.440404 0.3 1 1058 114 121 LEU N N 118.054 0.3 1 1059 115 122 VAL H H 8.051 0.01 1 1060 115 122 VAL HA H 3.561 0.01 1 1061 115 122 VAL HB H 2.124368 0.01 1 1062 115 122 VAL HG1 H 1.088639 0.01 1 1063 115 122 VAL HG2 H 1.041957 0.01 1 1064 115 122 VAL CA C 67.73 0.3 1 1065 115 122 VAL CB C 31.820382 0.3 1 1066 115 122 VAL CG1 C 23.966971 0.3 1 1067 115 122 VAL CG2 C 22.73834 0.3 1 1068 115 122 VAL N N 115.99 0.3 1 1069 116 123 ARG H H 7.799 0.01 1 1070 116 123 ARG HA H 3.771 0.01 1 1071 116 123 ARG HB2 H 1.831011 0.01 1 1072 116 123 ARG HB3 H 1.831011 0.01 1 1073 116 123 ARG HG2 H 1.519694 0.01 1 1074 116 123 ARG HG3 H 1.753182 0.01 1 1075 116 123 ARG HD2 H 3.271329 0.01 1 1076 116 123 ARG HD3 H 3.144829 0.01 1 1077 116 123 ARG CA C 60.552 0.3 1 1078 116 123 ARG CB C 30.78997 0.3 1 1079 116 123 ARG CG C 28.255713 0.3 1 1080 116 123 ARG CD C 43.659869 0.3 1 1081 116 123 ARG N N 116.541 0.3 1 1082 117 124 GLU H H 8.089 0.01 1 1083 117 124 GLU HA H 4.627 0.01 1 1084 117 124 GLU HB2 H 2.076473 0.01 1 1085 117 124 GLU HB3 H 2.076473 0.01 1 1086 117 124 GLU HG2 H 2.477593 0.01 1 1087 117 124 GLU HG3 H 2.130354 0.01 1 1088 117 124 GLU CA C 57.593 0.3 1 1089 117 124 GLU CB C 28.951938 0.3 1 1090 117 124 GLU CG C 35.190108 0.3 1 1091 117 124 GLU N N 116.013 0.3 1 1092 118 125 MET H H 8.751 0.01 1 1093 118 125 MET HA H 4.046 0.01 1 1094 118 125 MET HB2 H 2.375816 0.01 1 1095 118 125 MET HB3 H 1.549628 0.01 1 1096 118 125 MET HG2 H 3.064306 0.01 1 1097 118 125 MET HG3 H 2.435685 0.01 1 1098 118 125 MET HE H 1.765155 0.01 1 1099 118 125 MET CA C 60.845 0.3 1 1100 118 125 MET CB C 34.131847 0.3 1 1101 118 125 MET CG C 31.653288 0.3 1 1102 118 125 MET CE C 14.77681 0.3 1 1103 118 125 MET N N 120.497 0.3 1 1104 119 126 ALA H H 7.903 0.01 1 1105 119 126 ALA HA H 3.819 0.01 1 1106 119 126 ALA HB H 1.52568 0.01 1 1107 119 126 ALA CA C 55.979 0.3 1 1108 119 126 ALA CB C 18.954156 0.3 1 1109 119 126 ALA N N 119.171 0.3 1 1110 120 127 ASN H H 7.687 0.01 1 1111 120 127 ASN HA H 4.465 0.01 1 1112 120 127 ASN HB2 H 2.920621 0.01 1 1113 120 127 ASN HB3 H 2.920621 0.01 1 1114 120 127 ASN HD21 H 7.910703 0.01 1 1115 120 127 ASN HD22 H 6.888403 0.01 1 1116 120 127 ASN CA C 56.48 0.3 1 1117 120 127 ASN CB C 38.921871 0.3 1 1118 120 127 ASN N N 115.223 0.3 1 1119 120 127 ASN ND2 N 113.608204 0.3 1 1120 121 128 THR H H 8.726 0.01 1 1121 121 128 THR HA H 3.956 0.01 1 1122 121 128 THR HB H 4.261681 0.01 1 1123 121 128 THR HG2 H 1.405943 0.01 1 1124 121 128 THR CA C 67.074 0.3 1 1125 121 128 THR CB C 68.246841 0.3 1 1126 121 128 THR CG2 C 23.354294 0.3 1 1127 121 128 THR N N 117.264 0.3 1 1128 122 129 ALA H H 8.955 0.01 1 1129 122 129 ALA HA H 3.956 0.01 1 1130 122 129 ALA HB H 1.41193 0.01 1 1131 122 129 ALA CA C 55.824 0.3 1 1132 122 129 ALA CB C 16.781936 0.3 1 1133 122 129 ALA N N 123.581 0.3 1 1134 123 130 ARG H H 7.439 0.01 1 1135 123 130 ARG HA H 4.19 0.01 1 1136 123 130 ARG HB2 H 1.914827 0.01 1 1137 123 130 ARG HB3 H 1.914827 0.01 1 1138 123 130 ARG HG2 H 2.082459 0.01 1 1139 123 130 ARG HG3 H 1.789103 0.01 1 1140 123 130 ARG HD2 H 3.279834 0.01 1 1141 123 130 ARG HD3 H 3.279834 0.01 1 1142 123 130 ARG CA C 59.732 0.3 1 1143 123 130 ARG CB C 30.23299 0.3 1 1144 123 130 ARG CG C 28.534203 0.3 1 1145 123 130 ARG CD C 43.990384 0.3 1 1146 123 130 ARG N N 116.698 0.3 1 1147 124 131 ARG H H 7.669 0.01 1 1148 124 131 ARG HA H 4.082 0.01 1 1149 124 131 ARG HB2 H 1.819037 0.01 1 1150 124 131 ARG HB3 H 1.639431 0.01 1 1151 124 131 ARG HG2 H 1.50772 0.01 1 1152 124 131 ARG HG3 H 1.50772 0.01 1 1153 124 131 ARG HD2 H 3.064306 0.01 1 1154 124 131 ARG HD3 H 3.064306 0.01 1 1155 124 131 ARG CA C 58.24 0.3 1 1156 124 131 ARG CB C 29.313974 0.3 1 1157 124 131 ARG CG C 27.420244 0.3 1 1158 124 131 ARG CD C 43.878988 0.3 1 1159 124 131 ARG N N 119.231 0.3 1 1160 125 132 TYR H H 7.606 0.01 1 1161 125 132 TYR HA H 4.567 0.01 1 1162 125 132 TYR HB2 H 3.465427 0.01 1 1163 125 132 TYR HB3 H 2.48358 0.01 1 1164 125 132 TYR HD1 H 7.086577 0.01 1 1165 125 132 TYR HD2 H 7.086577 0.01 1 1166 125 132 TYR HE1 H 6.603151 0.01 1 1167 125 132 TYR HE2 H 6.603151 0.01 1 1168 125 132 TYR CA C 57.748 0.3 1 1169 125 132 TYR CB C 38.058552 0.3 1 1170 125 132 TYR CD1 C 133.888257 0.3 1 1171 125 132 TYR CE1 C 117.63272 0.3 1 1172 125 132 TYR N N 118.65 0.3 1 1173 126 133 ARG H H 7.657 0.01 1 1174 126 133 ARG HA H 3.789 0.01 1 1175 126 133 ARG HB2 H 1.531667 0.01 1 1176 126 133 ARG HB3 H 1.531667 0.01 1 1177 126 133 ARG HG2 H 2.178777 0.01 1 1178 126 133 ARG HG3 H 2.069813 0.01 1 1179 126 133 ARG HD2 H 3.213978 0.01 1 1180 126 133 ARG HD3 H 3.213978 0.01 1 1181 126 133 ARG CA C 57.86 0.3 1 1182 126 133 ARG CB C 27.865828 0.3 1 1183 126 133 ARG CG C 26.373303 0.3 1 1184 126 133 ARG CD C 43.684045 0.3 1 1185 126 133 ARG N N 110.322 0.3 1 1186 127 134 VAL H H 7.601 0.01 1 1187 127 134 VAL HA H 4.004 0.01 1 1188 127 134 VAL HB H 1.831011 0.01 1 1189 127 134 VAL HG1 H 0.579755 0.01 1 1190 127 134 VAL HG2 H 0.801269 0.01 1 1191 127 134 VAL CA C 62.105 0.3 1 1192 127 134 VAL CB C 31.681137 0.3 1 1193 127 134 VAL CG1 C 21.182074 0.3 1 1194 127 134 VAL CG2 C 20.430151 0.3 1 1195 127 134 VAL N N 120.877 0.3 1 1196 128 135 ASN H H 8.604 0.01 1 1197 128 135 ASN HA H 4.663 0.01 1 1198 128 135 ASN HB2 H 2.688471 0.01 1 1199 128 135 ASN HB3 H 2.628512 0.01 1 1200 128 135 ASN HD21 H 7.481112 0.01 1 1201 128 135 ASN HD22 H 6.738779 0.01 1 1202 128 135 ASN CA C 52.787 0.3 1 1203 128 135 ASN CB C 39.475654 0.3 1 1204 128 135 ASN N N 125.726 0.3 1 1205 128 135 ASN ND2 N 111.785303 0.3 1 1206 129 136 VAL H H 8.223 0.01 1 1207 129 136 VAL HA H 4.286 0.01 1 1208 129 136 VAL HB H 1.89088 0.01 1 1209 129 136 VAL HG1 H 0.806888 0.01 1 1210 129 136 VAL HG2 H 0.801269 0.01 1 1211 129 136 VAL CA C 59.637 0.3 1 1212 129 136 VAL CB C 33.101435 0.3 1 1213 129 136 VAL CG1 C 21.480867 0.3 1 1214 129 136 VAL CG2 C 21.432715 0.3 1 1215 129 136 VAL N N 126.963 0.3 1 1216 130 137 PRO HA H 4.435 0.01 1 1217 130 137 PRO HB2 H 2.48358 0.01 1 1218 130 137 PRO HB3 H 1.926801 0.01 1 1219 130 137 PRO HG2 H 2.003769 0.01 1 1220 130 137 PRO HG3 H 2.077333 0.01 1 1221 130 137 PRO HD2 H 3.567204 0.01 1 1222 130 137 PRO HD3 H 3.830626 0.01 1 1223 130 137 PRO CA C 63.045 0.3 1 1224 130 137 PRO CB C 32.795096 0.3 1 1225 130 137 PRO CG C 27.854161 0.3 1 1226 130 137 PRO CD C 51.036175 0.3 1 1227 131 138 GLU H H 9.135 0.01 1 1228 131 138 GLU HA H 3.944 0.01 1 1229 131 138 GLU HB2 H 2.076473 0.01 1 1230 131 138 GLU HB3 H 1.95398 0.01 1 1231 131 138 GLU HG2 H 2.315947 0.01 1 1232 131 138 GLU HG3 H 2.315947 0.01 1 1233 131 138 GLU CA C 60.431 0.3 1 1234 131 138 GLU CB C 29.14688 0.3 1 1235 131 138 GLU CG C 35.830634 0.3 1 1236 131 138 GLU N N 125.786 0.3 1 1237 132 139 ALA H H 9.105 0.01 1 1238 132 139 ALA HA H 4.183 0.01 1 1239 132 139 ALA HB H 1.41193 0.01 1 1240 132 139 ALA CA C 55.341 0.3 1 1241 132 139 ALA CB C 18.313629 0.3 1 1242 132 139 ALA N N 119.64 0.3 1 1243 133 140 SER H H 7.417 0.01 1 1244 133 140 SER HA H 4.328 0.01 1 1245 133 140 SER HB2 H 4.088061 0.01 1 1246 133 140 SER HB3 H 3.65102 0.01 1 1247 133 140 SER CA C 61.673 0.3 1 1248 133 140 SER CB C 62.621348 0.3 1 1249 133 140 SER N N 114.523 0.3 1 1250 134 141 VAL H H 7.731 0.01 1 1251 134 141 VAL HA H 3.495 0.01 1 1252 134 141 VAL HB H 2.184236 0.01 1 1253 134 141 VAL HG1 H 0.807256 0.01 1 1254 134 141 VAL HG2 H 0.900502 0.01 1 1255 134 141 VAL CA C 66.867 0.3 1 1256 134 141 VAL CB C 31.514043 0.3 1 1257 134 141 VAL CG1 C 23.688481 0.3 1 1258 134 141 VAL CG2 C 21.739053 0.3 1 1259 134 141 VAL N N 124.609 0.3 1 1260 135 142 GLN H H 8.247 0.01 1 1261 135 142 GLN HA H 3.932 0.01 1 1262 135 142 GLN HB2 H 2.142675 0.01 1 1263 135 142 GLN HB3 H 2.089921 0.01 1 1264 135 142 GLN HG2 H 2.47353 0.01 1 1265 135 142 GLN HG3 H 2.418804 0.01 1 1266 135 142 GLN CA C 59.154 0.3 1 1267 135 142 GLN CB C 27.81013 0.3 1 1268 135 142 GLN CG C 33.714112 0.3 1 1269 135 142 GLN N N 118.59 0.3 1 1270 136 143 ALA H H 7.617 0.01 1 1271 136 143 ALA HA H 4.184 0.01 1 1272 136 143 ALA HB H 1.531667 0.01 1 1273 136 143 ALA CA C 55.229 0.3 1 1274 136 143 ALA CB C 17.923744 0.3 1 1275 136 143 ALA N N 121.867 0.3 1 1276 137 144 ASP H H 8.097 0.01 1 1277 137 144 ASP HA H 4.423 0.01 1 1278 137 144 ASP HB2 H 3.387597 0.01 1 1279 137 144 ASP HB3 H 2.507527 0.01 1 1280 137 144 ASP CA C 57.48 0.3 1 1281 137 144 ASP CB C 41.734617 0.3 1 1282 137 144 ASP N N 121.45 0.3 1 1283 138 145 VAL H H 8.63 0.01 1 1284 138 145 VAL HA H 3.543 0.01 1 1285 138 145 VAL HB H 2.220158 0.01 1 1286 138 145 VAL HG1 H 1.058704 0.01 1 1287 138 145 VAL HG2 H 0.891072 0.01 1 1288 138 145 VAL CA C 67.644 0.3 1 1289 138 145 VAL CB C 31.625439 0.3 1 1290 138 145 VAL CG1 C 23.688481 0.3 1 1291 138 145 VAL CG2 C 21.961845 0.3 1 1292 138 145 VAL N N 121.018 0.3 1 1293 139 146 SER H H 8.146 0.01 1 1294 139 146 SER HA H 4.087 0.01 1 1295 139 146 SER HB2 H 3.974127 0.01 1 1296 139 146 SER HB3 H 3.974127 0.01 1 1297 139 146 SER CA C 62.191 0.3 1 1298 139 146 SER CB C 62.996444 0.3 1 1299 139 146 SER N N 117.279 0.3 1 1300 140 147 LEU H H 8.283 0.01 1 1301 140 147 LEU HA H 4.184 0.01 1 1302 140 147 LEU HB2 H 2.022591 0.01 1 1303 140 147 LEU HB3 H 1.819037 0.01 1 1304 140 147 LEU HG H 1.52568 0.01 1 1305 140 147 LEU HD1 H 0.879098 0.01 1 1306 140 147 LEU HD2 H 0.926993 0.01 1 1307 140 147 LEU CA C 59.025 0.3 1 1308 140 147 LEU CB C 42.45869 0.3 1 1309 140 147 LEU CG C 27.420244 0.3 1 1310 140 147 LEU CD1 C 26.473379 0.3 1 1311 140 147 LEU CD2 C 24.80244 0.3 1 1312 140 147 LEU N N 123.402 0.3 1 1313 141 148 VAL H H 8.969 0.01 1 1314 141 148 VAL HA H 3.956 0.01 1 1315 141 148 VAL HB H 2.148315 0.01 1 1316 141 148 VAL HG1 H 0.938967 0.01 1 1317 141 148 VAL HG2 H 1.112586 0.01 1 1318 141 148 VAL CA C 66.169 0.3 1 1319 141 148 VAL CB C 30.762121 0.3 1 1320 141 148 VAL CG1 C 22.463127 0.3 1 1321 141 148 VAL CG2 C 18.84276 0.3 1 1322 141 148 VAL N N 112.944 0.3 1 1323 142 149 THR H H 8.134 0.01 1 1324 142 149 THR HA H 4.16 0.01 1 1325 142 149 THR HB H 4.24372 0.01 1 1326 142 149 THR HG2 H 1.352061 0.01 1 1327 142 149 THR CA C 65.668 0.3 1 1328 142 149 THR CB C 68.80382 0.3 1 1329 142 149 THR CG2 C 22.574522 0.3 1 1330 142 149 THR N N 114.612 0.3 1 1331 143 150 SER H H 8.014 0.01 1 1332 143 150 SER HA H 4.292 0.01 1 1333 143 150 SER HB2 H 4.082075 0.01 1 1334 143 150 SER HB3 H 4.082075 0.01 1 1335 143 150 SER CA C 62.079 0.3 1 1336 143 150 SER CB C 62.927687 0.3 1 1337 143 150 SER N N 120.124 0.3 1 1338 144 151 MET H H 8.172 0.01 1 1339 144 151 MET HA H 4.226 0.01 1 1340 144 151 MET HB2 H 2.131716 0.01 1 1341 144 151 MET HB3 H 1.980683 0.01 1 1342 144 151 MET HG2 H 2.794897 0.01 1 1343 144 151 MET HG3 H 2.555422 0.01 1 1344 144 151 MET HE H 2.016604 0.01 1 1345 144 151 MET CA C 59.189 0.3 1 1346 144 151 MET CB C 33.825508 0.3 1 1347 144 151 MET CG C 32.711549 0.3 1 1348 144 151 MET CE C 16.39205 0.3 1 1349 144 151 MET N N 119.335 0.3 1 1350 145 152 THR H H 7.985 0.01 1 1351 145 152 THR HA H 4.052 0.01 1 1352 145 152 THR HB H 4.123983 0.01 1 1353 145 152 THR HG2 H 1.052718 0.01 1 1354 145 152 THR CA C 64.659 0.3 1 1355 145 152 THR CB C 69.138008 0.3 1 1356 145 152 THR CG2 C 22.184637 0.3 1 1357 145 152 THR N N 107.737 0.3 1 1358 146 153 SER H H 7.802 0.01 1 1359 146 153 SER HA H 4.393 0.01 1 1360 146 153 SER HB2 H 4.05214 0.01 1 1361 146 153 SER HB3 H 4.05214 0.01 1 1362 146 153 SER CA C 60.975 0.3 1 1363 146 153 SER CB C 63.846703 0.3 1 1364 146 153 SER N N 113.986 0.3 1 1365 147 154 THR H H 7.206 0.01 1 1366 147 154 THR HA H 4.405 0.01 1 1367 147 154 THR HB H 4.411352 0.01 1 1368 147 154 THR HG2 H 1.196402 0.01 1 1369 147 154 THR CA C 61.259 0.3 1 1370 147 154 THR CB C 69.555743 0.3 1 1371 147 154 THR CG2 C 21.54411 0.3 1 1372 147 154 THR N N 109.308 0.3 1 1373 148 155 PHE H H 7.299 0.01 1 1374 148 155 PHE HA H 4.441 0.01 1 1375 148 155 PHE HB2 H 3.094241 0.01 1 1376 148 155 PHE HB3 H 2.96253 0.01 1 1377 148 155 PHE HD1 H 7.122235 0.01 1 1378 148 155 PHE HD2 H 7.122235 0.01 1 1379 148 155 PHE HE1 H 7.031719 0.01 1 1380 148 155 PHE HE2 H 7.031719 0.01 1 1381 148 155 PHE HZ H 6.922002 0.01 1 1382 148 155 PHE CA C 58.913 0.3 1 1383 148 155 PHE CB C 39.952283 0.3 1 1384 148 155 PHE CD1 C 131.816429 0.3 1 1385 148 155 PHE CE1 C 130.85388 0.3 1 1386 148 155 PHE CZ C 128.746837 0.3 1 1387 148 155 PHE N N 122.746 0.3 1 1388 149 156 VAL H H 7.759 0.01 1 1389 149 156 VAL HA H 3.938 0.01 1 1390 149 156 VAL HB H 1.831011 0.01 1 1391 149 156 VAL HG1 H 0.782385 0.01 1 1392 149 156 VAL HG2 H 0.799097 0.01 1 1393 149 156 VAL CA C 61.233 0.3 1 1394 149 156 VAL CB C 34.410337 0.3 1 1395 149 156 VAL CG1 C 21.198756 0.3 1 1396 149 156 VAL CG2 C 20.770796 0.3 1 1397 149 156 VAL N N 124.892 0.3 1 1398 150 157 ILE H H 8.12 0.01 1 1399 150 157 ILE HA H 4.015 0.01 1 1400 150 157 ILE HB H 1.71726 0.01 1 1401 150 157 ILE HG12 H 1.405943 0.01 1 1402 150 157 ILE HG13 H 1.052718 0.01 1 1403 150 157 ILE HG2 H 0.825216 0.01 1 1404 150 157 ILE HD1 H 0.861138 0.01 1 1405 150 157 ILE CA C 60.655 0.3 1 1406 150 157 ILE CB C 38.754777 0.3 1 1407 150 157 ILE CG1 C 28.032922 0.3 1 1408 150 157 ILE CG2 C 17.840197 0.3 1 1409 150 157 ILE CD1 C 13.802095 0.3 1 1410 150 157 ILE N N 124.892 0.3 1 1411 151 158 SER H H 8.746 0.01 1 1412 151 158 SER HA H 4.483 0.01 1 1413 151 158 SER HB2 H 3.812665 0.01 1 1414 151 158 SER HB3 H 3.812665 0.01 1 1415 151 158 SER CA C 58.136 0.3 1 1416 151 158 SER CB C 64.264437 0.3 1 1417 151 158 SER N N 121.942 0.3 1 1418 152 159 SER HA H 4.453 0.01 1 1419 152 159 SER HB2 H 3.811765 0.01 1 1420 152 159 SER HB3 H 3.811765 0.01 1 1421 152 159 SER CA C 58.481 0.3 1 1422 152 159 SER CB C 64.187807 0.3 1 1423 153 160 GLN H H 8.404 0.01 1 1424 153 160 GLN HA H 4.325 0.01 1 1425 153 160 GLN HB2 H 1.952631 0.01 1 1426 153 160 GLN HB3 H 2.053892 0.01 1 1427 153 160 GLN HG2 H 2.327921 0.01 1 1428 153 160 GLN HG3 H 2.327921 0.01 1 1429 153 160 GLN CA C 56.104 0.3 1 1430 153 160 GLN CB C 29.321782 0.3 1 1431 153 160 GLN CG C 33.992602 0.3 1 1432 153 160 GLN N N 122.081 0.3 1 1433 154 161 THR HA H 4.345 0.01 1 1434 154 161 THR HB H 4.231746 0.01 1 1435 154 161 THR HG2 H 0.867125 0.01 1 1436 154 161 THR CA C 62.036 0.3 1 1437 154 161 THR CB C 69.806383 0.3 1 1438 154 161 THR CG2 C 22.134522 0.3 1 1439 155 162 SER H H 8.275 0.01 1 1440 155 162 SER HA H 4.465 0.01 1 1441 155 162 SER HB2 H 3.848587 0.01 1 1442 155 162 SER HB3 H 3.848587 0.01 1 1443 155 162 SER CA C 58.447 0.3 1 1444 155 162 SER CB C 64.069495 0.3 1 1445 155 162 SER N N 118.158 0.3 1 1446 156 163 VAL H H 8.103 0.01 1 1447 156 163 VAL HA H 4.094 0.01 1 1448 156 163 VAL HB H 2.022591 0.01 1 1449 156 163 VAL HG1 H 0.888104 0.01 1 1450 156 163 VAL HG2 H 0.891585 0.01 1 1451 156 163 VAL CA C 62.553 0.3 1 1452 156 163 VAL CB C 32.822945 0.3 1 1453 156 163 VAL CG1 C 21.382788 0.3 1 1454 156 163 VAL CG2 C 20.702929 0.3 1 1455 156 163 VAL N N 121.614 0.3 1 1456 157 164 GLN H H 8.371 0.01 1 1457 157 164 GLN HA H 4.31 0.01 1 1458 157 164 GLN HB2 H 2.03532 0.01 1 1459 157 164 GLN HB3 H 1.944879 0.01 1 1460 157 164 GLN HG2 H 2.315947 0.01 1 1461 157 164 GLN HG3 H 2.315947 0.01 1 1462 157 164 GLN CA C 55.867 0.3 1 1463 157 164 GLN CB C 29.369672 0.3 1 1464 157 164 GLN N N 123.938 0.3 1 1465 158 165 MET H H 8.425 0.01 1 1466 158 165 MET HA H 4.47 0.01 1 1467 158 165 MET HB2 H 1.974666 0.01 1 1468 158 165 MET HB3 H 2.077753 0.01 1 1469 158 165 MET HG2 H 2.589642 0.01 1 1470 158 165 MET HG3 H 2.491041 0.01 1 1471 158 165 MET HE H 2.048761 0.01 1 1472 158 165 MET CA C 55.72 0.3 1 1473 158 165 MET CB C 32.958989 0.3 1 1474 158 165 MET CG C 32.046749 0.3 1 1475 158 165 MET CE C 17.025651 0.3 1 1476 158 165 MET N N 122.3 0.3 1 1477 159 166 GLY H H 8.396 0.01 1 1478 159 166 GLY HA2 H 3.932 0.01 1 1479 159 166 GLY CA C 45.689 0.3 1 1480 159 166 GLY N N 110.605 0.3 1 1481 160 167 GLY H H 7.929 0.01 1 1482 160 167 GLY HA2 H 3.777 0.01 1 1483 160 167 GLY CA C 45.689 0.3 1 1484 160 167 GLY N N 115.148 0.3 1 stop_ save_