data_27099 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment of gp17.1 by proton-detected solid-state NMR ; _BMRB_accession_number 27099 _BMRB_flat_file_name bmr27099.str _Entry_type original _Submission_date 2017-05-08 _Accession_date 2017-05-08 _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 Zinke Maximilian . . 2 Fricke Pascal . . 3 Lange Sascha . . 4 Lange Adam . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 151 "13C chemical shifts" 460 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-11 update BMRB 'update entry citation' 2017-06-29 original author 'original release' stop_ _Original_release_date 2017-05-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Bacteriophage Tail Tube Assembly Studied by Proton-Detected 4D Solid-State NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28644511 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zinke Maximilian . . 2 Fricke Pascal . . 3 Samson Camille . . 4 Hwang Songhwan . . 5 Wall Joseph . . 6 Lange Sascha . . 7 Zinn-Justin Sophie . . 8 Lange Adam . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_name_full 'Angewandte Chemie (International ed. in English)' _Journal_volume 56 _Journal_issue 32 _Journal_ISSN 1521-3773 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9497 _Page_last 9501 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'gp17.1 phage tail' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label gp17.1 $gp17-1 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_gp17-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gp17-1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; MGMPETPIMGQDVKYLFQSI DAATGSAPLFPAYQTDGSVS GERELFDEQTKNGRILGPGS VADSGEVTYYGKRGDAGQKA IEDAYQNGKQIKFWRVDTVK NENDKYDAQFGFAYIESREY SDGVEGAVEISISLQVIGEL KNGEIDTLPEEIVNVSKGGY DFQQPGQTTGEAPGTVPAPH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 0 GLY 3 1 MET 4 2 PRO 5 3 GLU 6 4 THR 7 5 PRO 8 6 ILE 9 7 MET 10 8 GLY 11 9 GLN 12 10 ASP 13 11 VAL 14 12 LYS 15 13 TYR 16 14 LEU 17 15 PHE 18 16 GLN 19 17 SER 20 18 ILE 21 19 ASP 22 20 ALA 23 21 ALA 24 22 THR 25 23 GLY 26 24 SER 27 25 ALA 28 26 PRO 29 27 LEU 30 28 PHE 31 29 PRO 32 30 ALA 33 31 TYR 34 32 GLN 35 33 THR 36 34 ASP 37 35 GLY 38 36 SER 39 37 VAL 40 38 SER 41 39 GLY 42 40 GLU 43 41 ARG 44 42 GLU 45 43 LEU 46 44 PHE 47 45 ASP 48 46 GLU 49 47 GLN 50 48 THR 51 49 LYS 52 50 ASN 53 51 GLY 54 52 ARG 55 53 ILE 56 54 LEU 57 55 GLY 58 56 PRO 59 57 GLY 60 58 SER 61 59 VAL 62 60 ALA 63 61 ASP 64 62 SER 65 63 GLY 66 64 GLU 67 65 VAL 68 66 THR 69 67 TYR 70 68 TYR 71 69 GLY 72 70 LYS 73 71 ARG 74 72 GLY 75 73 ASP 76 74 ALA 77 75 GLY 78 76 GLN 79 77 LYS 80 78 ALA 81 79 ILE 82 80 GLU 83 81 ASP 84 82 ALA 85 83 TYR 86 84 GLN 87 85 ASN 88 86 GLY 89 87 LYS 90 88 GLN 91 89 ILE 92 90 LYS 93 91 PHE 94 92 TRP 95 93 ARG 96 94 VAL 97 95 ASP 98 96 THR 99 97 VAL 100 98 LYS 101 99 ASN 102 100 GLU 103 101 ASN 104 102 ASP 105 103 LYS 106 104 TYR 107 105 ASP 108 106 ALA 109 107 GLN 110 108 PHE 111 109 GLY 112 110 PHE 113 111 ALA 114 112 TYR 115 113 ILE 116 114 GLU 117 115 SER 118 116 ARG 119 117 GLU 120 118 TYR 121 119 SER 122 120 ASP 123 121 GLY 124 122 VAL 125 123 GLU 126 124 GLY 127 125 ALA 128 126 VAL 129 127 GLU 130 128 ILE 131 129 SER 132 130 ILE 133 131 SER 134 132 LEU 135 133 GLN 136 134 VAL 137 135 ILE 138 136 GLY 139 137 GLU 140 138 LEU 141 139 LYS 142 140 ASN 143 141 GLY 144 142 GLU 145 143 ILE 146 144 ASP 147 145 THR 148 146 LEU 149 147 PRO 150 148 GLU 151 149 GLU 152 150 ILE 153 151 VAL 154 152 ASN 155 153 VAL 156 154 SER 157 155 LYS 158 156 GLY 159 157 GLY 160 158 TYR 161 159 ASP 162 160 PHE 163 161 GLN 164 162 GLN 165 163 PRO 166 164 GLY 167 165 GLN 168 166 THR 169 167 THR 170 168 GLY 171 169 GLU 172 170 ALA 173 171 PRO 174 172 GLY 175 173 THR 176 174 VAL 177 175 PRO 178 176 ALA 179 177 PRO 180 178 HIS 181 179 HIS 182 180 HIS 183 181 HIS 184 182 HIS 185 183 HIS 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 $gp17-1 'Bacillus phage SPP1' 10724 Viruses . Lambdavirus SPP1 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 $gp17-1 'recombinant technology' . Escherichia coli . pETM13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $gp17-1 13 mg '[U-13C; U-15N; U-2H]; 100% back-exchange' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_(H)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (H)NH' _Sample_label $sample_1 save_ save_3D_(H)CANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CANH' _Sample_label $sample_1 save_ save_3D_(H)CNONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CNONH' _Sample_label $sample_1 save_ save_3D_(H)N(CACO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)N(CACO)NH' _Sample_label $sample_1 save_ save_4D_(H)COCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (H)COCANH' _Sample_label $sample_1 save_ save_4D_(H)CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (H)CBCANH' _Sample_label $sample_1 save_ save_4D_(H)CACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (H)CACONH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 7.4 . pH pressure 1 . atm temperature 291 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D (H)CANH' '3D (H)CNONH' '3D (H)N(CACO)NH' '4D (H)COCANH' '4D (H)CBCANH' '4D (H)CACONH' 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 gp17.1 _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 5 7 PRO C C 175.901 0.010 1 2 5 7 PRO CA C 62.298 0.000 1 3 6 8 ILE H H 8.401 0.016 1 4 6 8 ILE C C 175.735 0.031 1 5 6 8 ILE CA C 62.437 0.121 1 6 6 8 ILE CB C 38.633 0.000 1 7 6 8 ILE N N 122.284 0.120 1 8 7 9 MET H H 9.276 0.020 1 9 7 9 MET C C 178.302 0.047 1 10 7 9 MET CA C 52.703 0.133 1 11 7 9 MET CB C 29.529 0.000 1 12 7 9 MET N N 127.298 0.111 1 13 8 10 GLY H H 9.068 0.012 1 14 8 10 GLY C C 177.162 0.044 1 15 8 10 GLY CA C 47.543 0.101 1 16 8 10 GLY N N 112.713 0.126 1 17 9 11 GLN H H 9.150 0.018 1 18 9 11 GLN C C 175.252 0.038 1 19 9 11 GLN CA C 57.836 0.117 1 20 9 11 GLN CB C 27.847 0.000 1 21 9 11 GLN N N 116.050 0.143 1 22 10 12 ASP H H 7.580 0.025 1 23 10 12 ASP C C 176.663 0.014 1 24 10 12 ASP CA C 54.955 0.137 1 25 10 12 ASP CB C 41.153 0.000 1 26 10 12 ASP N N 114.313 0.148 1 27 11 13 VAL H H 7.710 0.016 1 28 11 13 VAL C C 174.535 0.016 1 29 11 13 VAL CA C 61.468 0.132 1 30 11 13 VAL CB C 30.578 0.000 1 31 11 13 VAL N N 125.599 0.090 1 32 12 14 LYS H H 8.967 0.016 1 33 12 14 LYS C C 174.148 0.014 1 34 12 14 LYS CA C 54.594 0.112 1 35 12 14 LYS CB C 34.238 0.000 1 36 12 14 LYS N N 125.442 0.146 1 37 13 15 TYR H H 8.305 0.033 1 38 13 15 TYR C C 175.239 0.016 1 39 13 15 TYR CA C 57.109 0.062 1 40 13 15 TYR CB C 37.228 0.000 1 41 13 15 TYR N N 122.899 0.123 1 42 14 16 LEU H H 9.392 0.008 1 43 14 16 LEU C C 175.842 0.011 1 44 14 16 LEU CA C 51.963 0.112 1 45 14 16 LEU CB C 43.671 0.000 1 46 14 16 LEU N N 122.897 0.130 1 47 15 17 PHE H H 9.197 0.008 1 48 15 17 PHE C C 175.101 0.023 1 49 15 17 PHE CA C 56.275 0.096 1 50 15 17 PHE CB C 44.433 0.000 1 51 15 17 PHE N N 116.077 0.132 1 52 16 18 GLN H H 9.328 0.011 1 53 16 18 GLN C C 173.543 0.000 1 54 16 18 GLN CA C 56.359 0.110 1 55 16 18 GLN CB C 34.612 0.000 1 56 16 18 GLN N N 119.511 0.148 1 57 17 19 SER H H 9.921 0.024 1 58 17 19 SER C C 178.400 0.020 1 59 17 19 SER CA C 57.394 0.120 1 60 17 19 SER CB C 63.188 0.000 1 61 17 19 SER N N 123.005 0.127 1 62 18 20 ILE H H 9.487 0.030 1 63 18 20 ILE C C 175.362 0.039 1 64 18 20 ILE CA C 64.271 0.125 1 65 18 20 ILE N N 122.163 0.146 1 66 19 21 ASP H H 8.242 0.013 1 67 19 21 ASP C C 176.768 0.023 1 68 19 21 ASP CA C 53.781 0.103 1 69 19 21 ASP CB C 40.594 0.000 1 70 19 21 ASP N N 117.490 0.134 1 71 20 22 ALA H H 7.233 0.011 1 72 20 22 ALA C C 178.640 0.010 1 73 20 22 ALA CA C 52.616 0.105 1 74 20 22 ALA CB C 17.828 0.000 1 75 20 22 ALA N N 122.599 0.120 1 76 21 23 ALA H H 8.816 0.029 1 77 21 23 ALA C C 180.033 0.012 1 78 21 23 ALA CA C 51.575 0.120 1 79 21 23 ALA CB C 18.798 0.000 1 80 21 23 ALA N N 126.331 0.139 1 81 22 24 THR H H 9.050 0.034 1 82 22 24 THR C C 176.107 0.036 1 83 22 24 THR CA C 63.250 0.106 1 84 22 24 THR CB C 67.733 0.000 1 85 22 24 THR N N 115.106 0.101 1 86 23 25 GLY H H 9.895 0.010 1 87 23 25 GLY C C 174.704 0.004 1 88 23 25 GLY CA C 44.291 0.121 1 89 23 25 GLY N N 111.309 0.157 1 90 24 26 SER H H 7.459 0.013 1 91 24 26 SER C C 173.423 0.026 1 92 24 26 SER CA C 59.860 0.111 1 93 24 26 SER CB C 63.355 0.000 1 94 24 26 SER N N 115.828 0.141 1 95 25 27 ALA H H 8.568 0.014 1 96 25 27 ALA C C 175.904 0.000 1 97 25 27 ALA CA C 49.984 0.104 1 98 25 27 ALA CB C 17.128 0.000 1 99 25 27 ALA N N 126.514 0.102 1 100 26 28 PRO C C 173.325 0.059 1 101 26 28 PRO CA C 61.966 0.000 1 102 27 29 LEU H H 9.156 0.010 1 103 27 29 LEU C C 176.547 0.029 1 104 27 29 LEU CA C 52.962 0.104 1 105 27 29 LEU CB C 43.561 0.000 1 106 27 29 LEU N N 115.277 0.168 1 107 28 30 PHE H H 9.356 0.015 1 108 28 30 PHE C C 172.720 0.000 1 109 28 30 PHE CA C 50.631 0.039 1 110 28 30 PHE CB C 39.244 0.000 1 111 28 30 PHE N N 123.024 0.322 1 112 29 31 PRO C C 175.664 0.057 1 113 29 31 PRO CA C 62.922 0.000 1 114 30 32 ALA H H 7.917 0.018 1 115 30 32 ALA C C 174.582 0.024 1 116 30 32 ALA CA C 52.125 0.130 1 117 30 32 ALA CB C 20.174 0.000 1 118 30 32 ALA N N 126.768 0.106 1 119 31 33 TYR H H 8.541 0.013 1 120 31 33 TYR C C 176.308 0.038 1 121 31 33 TYR CA C 53.716 0.091 1 122 31 33 TYR CB C 33.029 0.000 1 123 31 33 TYR N N 107.565 0.125 1 124 32 34 GLN H H 9.850 0.023 1 125 32 34 GLN C C 178.152 0.018 1 126 32 34 GLN CA C 57.506 0.107 1 127 32 34 GLN CB C 28.992 0.000 1 128 32 34 GLN N N 116.498 0.166 1 129 33 35 THR H H 9.119 0.011 1 130 33 35 THR C C 174.964 0.000 1 131 33 35 THR CA C 60.847 0.122 1 132 33 35 THR CG2 C 21.420 0.000 1 133 33 35 THR N N 112.325 0.108 1 134 34 36 ASP C C 175.507 0.014 1 135 34 36 ASP CA C 52.762 0.000 1 136 35 37 GLY H H 8.437 0.025 1 137 35 37 GLY C C 170.795 0.020 1 138 35 37 GLY CA C 45.466 0.106 1 139 35 37 GLY N N 113.580 0.114 1 140 36 38 SER H H 9.423 0.011 1 141 36 38 SER C C 173.953 0.026 1 142 36 38 SER CA C 57.776 0.124 1 143 36 38 SER CB C 65.676 0.000 1 144 36 38 SER N N 117.944 0.162 1 145 37 39 VAL H H 8.192 0.010 1 146 37 39 VAL C C 174.629 0.033 1 147 37 39 VAL CA C 61.397 0.106 1 148 37 39 VAL CB C 35.771 0.000 1 149 37 39 VAL N N 116.800 0.151 1 150 38 40 SER H H 9.200 0.012 1 151 38 40 SER C C 172.610 0.040 1 152 38 40 SER CA C 56.909 0.107 1 153 38 40 SER CB C 64.114 0.000 1 154 38 40 SER N N 120.904 0.128 1 155 39 41 GLY H H 8.535 0.013 1 156 39 41 GLY C C 173.206 0.018 1 157 39 41 GLY CA C 45.922 0.119 1 158 39 41 GLY N N 114.895 0.152 1 159 40 42 GLU H H 8.552 0.012 1 160 40 42 GLU C C 175.337 0.000 1 161 40 42 GLU CA C 54.763 0.136 1 162 40 42 GLU CB C 32.724 0.000 1 163 40 42 GLU N N 122.707 0.173 1 164 44 46 PHE C C 173.881 0.013 1 165 44 46 PHE CA C 57.863 0.000 1 166 45 47 ASP H H 8.239 0.025 1 167 45 47 ASP C C 175.522 0.022 1 168 45 47 ASP CA C 52.516 0.098 1 169 45 47 ASP CB C 40.747 0.000 1 170 45 47 ASP N N 128.897 0.114 1 171 46 48 GLU H H 8.297 0.042 1 172 46 48 GLU C C 175.819 0.041 1 173 46 48 GLU CA C 52.953 0.116 1 174 46 48 GLU CB C 33.603 0.000 1 175 46 48 GLU N N 119.758 0.140 1 176 47 49 GLN H H 8.728 0.011 1 177 47 49 GLN C C 175.645 0.006 1 178 47 49 GLN CA C 55.419 0.105 1 179 47 49 GLN CB C 29.011 0.000 1 180 47 49 GLN N N 119.547 0.169 1 181 48 50 THR H H 7.585 0.025 1 182 48 50 THR C C 177.206 0.010 1 183 48 50 THR CA C 60.436 0.101 1 184 48 50 THR N N 109.498 0.159 1 185 49 51 LYS H H 9.710 0.019 1 186 49 51 LYS C C 174.990 0.072 1 187 49 51 LYS CA C 58.872 0.105 1 188 49 51 LYS CB C 30.141 0.000 1 189 49 51 LYS N N 118.767 0.107 1 190 50 52 ASN H H 8.645 0.009 1 191 50 52 ASN C C 174.001 0.058 1 192 50 52 ASN CA C 54.382 0.135 1 193 50 52 ASN CB C 39.974 0.000 1 194 50 52 ASN N N 114.933 0.124 1 195 51 53 GLY H H 7.801 0.015 1 196 51 53 GLY C C 173.467 0.020 1 197 51 53 GLY CA C 43.395 0.110 1 198 51 53 GLY N N 108.425 0.121 1 199 52 54 ARG H H 8.742 0.014 1 200 52 54 ARG C C 176.186 0.028 1 201 52 54 ARG CA C 56.346 0.101 1 202 52 54 ARG CB C 30.884 0.000 1 203 52 54 ARG N N 123.814 0.135 1 204 53 55 ILE H H 9.506 0.011 1 205 53 55 ILE C C 173.081 0.025 1 206 53 55 ILE CA C 59.811 0.149 1 207 53 55 ILE CB C 38.221 0.000 1 208 53 55 ILE N N 130.142 0.119 1 209 54 56 LEU H H 8.152 0.022 1 210 54 56 LEU C C 177.329 0.035 1 211 54 56 LEU CA C 52.559 0.131 1 212 54 56 LEU CB C 42.333 0.000 1 213 54 56 LEU N N 126.073 0.161 1 214 59 61 VAL C C 175.521 0.020 1 215 59 61 VAL CA C 60.716 0.000 1 216 60 62 ALA H H 8.850 0.011 1 217 60 62 ALA C C 175.979 0.042 1 218 60 62 ALA CA C 52.334 0.110 1 219 60 62 ALA N N 127.363 0.269 1 220 61 63 ASP H H 9.882 0.026 1 221 61 63 ASP C C 175.944 0.018 1 222 61 63 ASP CA C 53.630 0.088 1 223 61 63 ASP CB C 43.700 0.000 1 224 61 63 ASP N N 125.002 0.146 1 225 62 64 SER H H 9.468 0.016 1 226 62 64 SER C C 172.444 0.096 1 227 62 64 SER CA C 57.054 0.135 1 228 62 64 SER CB C 65.732 0.000 1 229 62 64 SER N N 115.664 0.129 1 230 63 65 GLY H H 8.771 0.011 1 231 63 65 GLY C C 171.773 0.022 1 232 63 65 GLY CA C 45.456 0.093 1 233 63 65 GLY N N 104.850 0.145 1 234 64 66 GLU H H 9.385 0.022 1 235 64 66 GLU C C 174.512 0.018 1 236 64 66 GLU CA C 54.945 0.093 1 237 64 66 GLU CB C 33.510 0.000 1 238 64 66 GLU N N 120.756 0.156 1 239 65 67 VAL H H 8.108 0.022 1 240 65 67 VAL C C 173.468 0.018 1 241 65 67 VAL CA C 61.161 0.120 1 242 65 67 VAL CB C 35.273 0.000 1 243 65 67 VAL CG1 C 21.062 0.000 1 244 65 67 VAL N N 117.763 0.164 1 245 66 68 THR H H 8.067 0.013 1 246 66 68 THR C C 173.073 0.021 1 247 66 68 THR CA C 61.095 0.145 1 248 66 68 THR CB C 71.207 0.000 1 249 66 68 THR CG2 C 20.631 0.000 1 250 66 68 THR N N 121.571 0.136 1 251 67 69 TYR H H 8.630 0.011 1 252 67 69 TYR C C 175.845 0.012 1 253 67 69 TYR CA C 53.156 0.116 1 254 67 69 TYR CB C 39.495 0.000 1 255 67 69 TYR N N 123.452 0.143 1 256 68 70 TYR H H 8.448 0.009 1 257 68 70 TYR C C 177.858 0.019 1 258 68 70 TYR CA C 54.091 0.112 1 259 68 70 TYR CB C 37.024 0.000 1 260 68 70 TYR N N 117.935 0.142 1 261 69 71 GLY H H 8.730 0.013 1 262 69 71 GLY C C 172.182 0.028 1 263 69 71 GLY CA C 46.779 0.109 1 264 69 71 GLY N N 106.761 0.112 1 265 70 72 LYS H H 9.094 0.010 1 266 70 72 LYS C C 175.925 0.017 1 267 70 72 LYS CA C 55.484 0.101 1 268 70 72 LYS CB C 34.679 0.000 1 269 70 72 LYS CG C 24.439 0.000 1 270 70 72 LYS CD C 29.056 0.000 1 271 70 72 LYS N N 126.726 0.133 1 272 71 73 ARG H H 8.864 0.009 1 273 71 73 ARG C C 178.291 0.018 1 274 71 73 ARG CA C 57.994 0.125 1 275 71 73 ARG CB C 28.386 0.000 1 276 71 73 ARG N N 128.188 0.145 1 277 72 74 GLY H H 9.111 0.020 1 278 72 74 GLY C C 174.341 0.013 1 279 72 74 GLY CA C 45.638 0.082 1 280 72 74 GLY N N 111.672 0.091 1 281 73 75 ASP H H 7.392 0.014 1 282 73 75 ASP C C 176.770 0.036 1 283 73 75 ASP CA C 55.325 0.107 1 284 73 75 ASP CB C 43.905 0.000 1 285 73 75 ASP N N 120.113 0.130 1 286 74 76 ALA H H 9.263 0.012 1 287 74 76 ALA C C 180.924 0.021 1 288 74 76 ALA CA C 55.365 0.114 1 289 74 76 ALA CB C 18.054 0.000 1 290 74 76 ALA N N 130.870 0.134 1 291 75 77 GLY H H 8.855 0.017 1 292 75 77 GLY C C 174.200 0.028 1 293 75 77 GLY CA C 47.394 0.081 1 294 75 77 GLY N N 107.611 0.102 1 295 76 78 GLN H H 8.634 0.033 1 296 76 78 GLN C C 179.920 0.040 1 297 76 78 GLN CA C 59.853 0.137 1 298 76 78 GLN CB C 25.831 0.000 1 299 76 78 GLN N N 121.145 0.145 1 300 77 79 LYS H H 8.397 0.021 1 301 77 79 LYS C C 178.228 0.035 1 302 77 79 LYS CA C 59.184 0.090 1 303 77 79 LYS CB C 31.211 0.000 1 304 77 79 LYS N N 120.649 0.126 1 305 78 80 ALA H H 8.021 0.012 1 306 78 80 ALA C C 181.310 0.019 1 307 78 80 ALA CA C 54.729 0.116 1 308 78 80 ALA CB C 17.355 0.000 1 309 78 80 ALA N N 122.343 0.127 1 310 79 81 ILE H H 7.352 0.012 1 311 79 81 ILE C C 176.639 0.033 1 312 79 81 ILE CA C 65.239 0.100 1 313 79 81 ILE CB C 37.201 0.000 1 314 79 81 ILE CG1 C 29.627 0.000 1 315 79 81 ILE CG2 C 17.137 0.000 1 316 79 81 ILE N N 120.204 0.123 1 317 80 82 GLU H H 7.776 0.010 1 318 80 82 GLU C C 178.552 0.072 1 319 80 82 GLU CA C 58.509 0.101 1 320 80 82 GLU CB C 28.212 0.000 1 321 80 82 GLU N N 121.081 0.175 1 322 81 83 ASP H H 8.554 0.011 1 323 81 83 ASP C C 178.500 0.021 1 324 81 83 ASP CA C 57.059 0.118 1 325 81 83 ASP CB C 41.665 0.000 1 326 81 83 ASP N N 117.868 0.139 1 327 82 84 ALA H H 7.899 0.012 1 328 82 84 ALA C C 180.115 0.054 1 329 82 84 ALA CA C 55.495 0.122 1 330 82 84 ALA CB C 17.126 0.000 1 331 82 84 ALA N N 121.939 0.276 1 332 83 85 TYR H H 9.024 0.016 1 333 83 85 TYR C C 179.428 0.040 1 334 83 85 TYR CA C 61.762 0.125 1 335 83 85 TYR CB C 36.934 0.000 1 336 83 85 TYR N N 118.269 0.135 1 337 84 86 GLN H H 9.369 0.012 1 338 84 86 GLN C C 177.644 0.036 1 339 84 86 GLN CA C 58.662 0.126 1 340 84 86 GLN CB C 28.212 0.000 1 341 84 86 GLN N N 119.556 0.125 1 342 85 87 ASN H H 7.711 0.034 1 343 85 87 ASN C C 175.090 0.043 1 344 85 87 ASN CA C 53.310 0.121 1 345 85 87 ASN CB C 39.405 0.000 1 346 85 87 ASN N N 111.607 0.169 1 347 86 88 GLY H H 7.755 0.020 1 348 86 88 GLY C C 173.790 0.031 1 349 86 88 GLY CA C 46.759 0.146 1 350 86 88 GLY N N 112.533 0.132 1 351 87 89 LYS H H 8.366 0.044 1 352 87 89 LYS C C 176.656 0.012 1 353 87 89 LYS CA C 54.214 0.175 1 354 87 89 LYS CB C 34.849 0.000 1 355 87 89 LYS N N 117.702 0.029 1 356 88 90 GLN H H 8.355 0.008 1 357 88 90 GLN C C 174.402 0.039 1 358 88 90 GLN CA C 55.293 0.109 1 359 88 90 GLN CB C 29.628 0.000 1 360 88 90 GLN N N 119.822 0.148 1 361 89 91 ILE H H 9.219 0.014 1 362 89 91 ILE C C 172.499 0.013 1 363 89 91 ILE CA C 60.408 0.149 1 364 89 91 ILE CB C 42.480 0.000 1 365 89 91 ILE N N 117.824 0.232 1 366 90 92 LYS H H 7.962 0.014 1 367 90 92 LYS C C 175.434 0.036 1 368 90 92 LYS CA C 55.551 0.131 1 369 90 92 LYS CB C 32.308 0.000 1 370 90 92 LYS N N 123.786 0.145 1 371 91 93 PHE H H 8.241 0.013 1 372 91 93 PHE C C 170.702 0.038 1 373 91 93 PHE CA C 54.831 0.111 1 374 91 93 PHE CB C 42.867 0.000 1 375 91 93 PHE N N 120.440 0.160 1 376 92 94 TRP H H 8.679 0.010 1 377 92 94 TRP C C 174.680 0.028 1 378 92 94 TRP CA C 55.755 0.112 1 379 92 94 TRP CB C 34.185 0.000 1 380 92 94 TRP N N 118.153 0.106 1 381 93 95 ARG H H 8.264 0.025 1 382 93 95 ARG C C 175.597 0.028 1 383 93 95 ARG CA C 54.819 0.113 1 384 93 95 ARG CB C 30.584 0.000 1 385 93 95 ARG N N 123.991 0.222 1 386 94 96 VAL H H 8.641 0.010 1 387 94 96 VAL C C 173.375 0.026 1 388 94 96 VAL CA C 60.599 0.115 1 389 94 96 VAL CB C 34.237 0.000 1 390 94 96 VAL N N 125.559 0.119 1 391 95 97 ASP H H 8.491 0.010 1 392 95 97 ASP C C 176.964 0.037 1 393 95 97 ASP CA C 53.013 0.103 1 394 95 97 ASP CB C 39.962 0.000 1 395 95 97 ASP N N 126.878 0.166 1 396 96 98 THR H H 8.378 0.009 1 397 96 98 THR C C 173.207 0.023 1 398 96 98 THR CA C 63.233 0.137 1 399 96 98 THR CG2 C 21.494 0.000 1 400 96 98 THR N N 114.290 0.105 1 401 97 99 VAL H H 8.045 0.013 1 402 97 99 VAL C C 175.512 0.027 1 403 97 99 VAL CA C 62.509 0.139 1 404 97 99 VAL CB C 29.932 0.000 1 405 97 99 VAL CG2 C 21.467 0.000 1 406 97 99 VAL N N 125.240 0.150 1 407 98 100 LYS H H 8.389 0.018 1 408 98 100 LYS C C 176.857 0.030 1 409 98 100 LYS CA C 57.626 0.114 1 410 98 100 LYS CB C 32.544 0.000 1 411 98 100 LYS N N 128.835 0.092 1 412 99 101 ASN H H 9.138 0.007 1 413 99 101 ASN C C 178.393 0.061 1 414 99 101 ASN CA C 50.971 0.132 1 415 99 101 ASN CB C 38.429 0.000 1 416 99 101 ASN N N 121.912 0.099 1 417 100 102 GLU H H 8.854 0.015 1 418 100 102 GLU C C 176.784 0.048 1 419 100 102 GLU CA C 58.342 0.109 1 420 100 102 GLU CB C 28.403 0.000 1 421 100 102 GLU N N 117.563 0.124 1 422 101 103 ASN H H 8.238 0.015 1 423 101 103 ASN C C 174.460 0.030 1 424 101 103 ASN CA C 52.001 0.102 1 425 101 103 ASN CB C 38.277 0.000 1 426 101 103 ASN N N 118.096 0.127 1 427 102 104 ASP H H 8.392 0.023 1 428 102 104 ASP C C 173.907 0.023 1 429 102 104 ASP CA C 55.733 0.099 1 430 102 104 ASP CB C 39.020 0.000 1 431 102 104 ASP N N 116.740 0.162 1 432 103 105 LYS H H 7.448 0.018 1 433 103 105 LYS C C 172.926 0.042 1 434 103 105 LYS CA C 54.382 0.117 1 435 103 105 LYS CB C 35.706 0.000 1 436 103 105 LYS N N 118.383 0.174 1 437 104 106 TYR H H 8.185 0.013 1 438 104 106 TYR C C 176.705 0.031 1 439 104 106 TYR CA C 55.739 0.109 1 440 104 106 TYR CB C 38.257 0.000 1 441 104 106 TYR N N 116.043 0.129 1 442 105 107 ASP H H 9.966 0.014 1 443 105 107 ASP C C 176.047 0.044 1 444 105 107 ASP CA C 56.464 0.124 1 445 105 107 ASP CB C 41.146 0.000 1 446 105 107 ASP N N 126.791 0.134 1 447 106 108 ALA H H 8.851 0.011 1 448 106 108 ALA C C 176.090 0.018 1 449 106 108 ALA CA C 50.677 0.113 1 450 106 108 ALA CB C 24.109 0.000 1 451 106 108 ALA N N 122.459 0.133 1 452 107 109 GLN H H 8.500 0.013 1 453 107 109 GLN C C 174.908 0.018 1 454 107 109 GLN CA C 55.493 0.101 1 455 107 109 GLN CB C 30.967 0.000 1 456 107 109 GLN N N 118.746 0.176 1 457 108 110 PHE H H 9.465 0.009 1 458 108 110 PHE C C 173.778 0.027 1 459 108 110 PHE CA C 54.833 0.105 1 460 108 110 PHE CB C 45.518 0.000 1 461 108 110 PHE N N 121.049 0.155 1 462 109 111 GLY H H 7.222 0.011 1 463 109 111 GLY C C 170.729 0.014 1 464 109 111 GLY CA C 44.883 0.093 1 465 109 111 GLY N N 112.097 0.114 1 466 110 112 PHE H H 7.323 0.015 1 467 110 112 PHE C C 175.773 0.016 1 468 110 112 PHE CA C 56.928 0.146 1 469 110 112 PHE CB C 41.054 0.000 1 470 110 112 PHE N N 115.125 0.183 1 471 111 113 ALA H H 9.343 0.009 1 472 111 113 ALA C C 175.861 0.040 1 473 111 113 ALA CA C 50.533 0.114 1 474 111 113 ALA CB C 23.776 0.000 1 475 111 113 ALA N N 122.614 0.154 1 476 112 114 TYR H H 8.343 0.012 1 477 112 114 TYR C C 175.815 0.017 1 478 112 114 TYR CA C 57.994 0.101 1 479 112 114 TYR CB C 41.610 0.000 1 480 112 114 TYR N N 113.265 0.168 1 481 113 115 ILE H H 10.249 0.028 1 482 113 115 ILE C C 174.883 0.029 1 483 113 115 ILE CA C 60.593 0.170 1 484 113 115 ILE N N 123.113 0.186 1 485 114 116 GLU H H 8.786 0.019 1 486 114 116 GLU C C 174.626 0.046 1 487 114 116 GLU CA C 56.769 0.156 1 488 114 116 GLU CB C 30.756 0.000 1 489 114 116 GLU N N 127.839 0.203 1 490 115 117 SER H H 7.644 0.018 1 491 115 117 SER C C 171.751 0.019 1 492 115 117 SER CA C 57.107 0.106 1 493 115 117 SER CB C 64.907 0.000 1 494 115 117 SER N N 110.202 0.181 1 495 116 118 ARG H H 8.402 0.008 1 496 116 118 ARG C C 175.260 0.044 1 497 116 118 ARG CA C 55.495 0.105 1 498 116 118 ARG CB C 27.165 0.000 1 499 116 118 ARG N N 121.608 0.160 1 500 117 119 GLU H H 9.247 0.013 1 501 117 119 GLU C C 174.282 0.045 1 502 117 119 GLU CA C 54.189 0.100 1 503 117 119 GLU CB C 33.395 0.000 1 504 117 119 GLU N N 132.797 0.124 1 505 118 120 TYR H H 9.402 0.009 1 506 118 120 TYR C C 175.318 0.096 1 507 118 120 TYR CA C 57.242 0.110 1 508 118 120 TYR CB C 39.728 0.000 1 509 118 120 TYR N N 123.817 0.136 1 510 119 121 SER H H 9.082 0.013 1 511 119 121 SER C C 173.783 0.026 1 512 119 121 SER CA C 57.072 0.106 1 513 119 121 SER CB C 63.215 0.000 1 514 119 121 SER N N 116.537 0.142 1 515 120 122 ASP H H 9.273 0.013 1 516 120 122 ASP C C 177.105 0.024 1 517 120 122 ASP CA C 52.750 0.120 1 518 120 122 ASP CB C 41.696 0.000 1 519 120 122 ASP N N 129.269 0.110 1 520 121 123 GLY H H 8.371 0.011 1 521 121 123 GLY C C 174.864 0.041 1 522 121 123 GLY CA C 46.337 0.078 1 523 121 123 GLY N N 112.612 0.132 1 524 122 124 VAL H H 7.928 0.022 1 525 122 124 VAL C C 175.874 0.030 1 526 122 124 VAL CA C 64.032 0.151 1 527 122 124 VAL CB C 31.203 0.000 1 528 122 124 VAL CG1 C 22.929 0.000 1 529 122 124 VAL N N 119.518 0.157 1 530 123 125 GLU H H 8.882 0.013 1 531 123 125 GLU C C 176.732 0.015 1 532 123 125 GLU CA C 56.866 0.080 1 533 123 125 GLU CB C 29.213 0.000 1 534 123 125 GLU N N 121.900 0.110 1 535 124 126 GLY H H 7.879 0.015 1 536 124 126 GLY C C 174.003 0.061 1 537 124 126 GLY CA C 44.693 0.047 1 538 124 126 GLY N N 107.693 0.112 1 539 125 127 ALA H H 8.829 0.020 1 540 125 127 ALA C C 178.684 0.033 1 541 125 127 ALA CA C 51.626 0.124 1 542 125 127 ALA CB C 18.798 0.000 1 543 125 127 ALA N N 126.276 0.109 1 544 126 128 VAL H H 9.241 0.010 1 545 126 128 VAL C C 176.694 0.027 1 546 126 128 VAL CA C 63.581 0.121 1 547 126 128 VAL CB C 33.033 0.000 1 548 126 128 VAL N N 124.371 0.115 1 549 127 129 GLU H H 8.694 0.019 1 550 127 129 GLU C C 175.493 0.018 1 551 127 129 GLU CA C 54.638 0.104 1 552 127 129 GLU CB C 31.811 0.000 1 553 127 129 GLU N N 126.939 0.217 1 554 128 130 ILE H H 9.685 0.014 1 555 128 130 ILE C C 174.177 0.022 1 556 128 130 ILE CA C 59.926 0.104 1 557 128 130 ILE CB C 37.262 0.000 1 558 128 130 ILE CG1 C 27.597 0.000 1 559 128 130 ILE CG2 C 16.111 0.000 1 560 128 130 ILE N N 129.177 0.115 1 561 129 131 SER H H 8.449 0.010 1 562 129 131 SER C C 174.815 0.029 1 563 129 131 SER CA C 55.881 0.113 1 564 129 131 SER CB C 64.661 0.000 1 565 129 131 SER N N 118.216 0.140 1 566 130 132 ILE H H 8.945 0.008 1 567 130 132 ILE C C 175.062 0.052 1 568 130 132 ILE CA C 57.906 0.115 1 569 130 132 ILE CB C 40.703 0.000 1 570 130 132 ILE N N 121.163 0.183 1 571 131 133 SER H H 7.929 0.037 1 572 131 133 SER C C 173.798 0.027 1 573 131 133 SER CA C 56.360 0.149 1 574 131 133 SER CB C 63.772 0.000 1 575 131 133 SER N N 116.074 0.171 1 576 132 134 LEU H H 9.521 0.015 1 577 132 134 LEU C C 175.970 0.009 1 578 132 134 LEU CA C 53.431 0.093 1 579 132 134 LEU CB C 43.886 0.000 1 580 132 134 LEU N N 125.770 0.113 1 581 133 135 GLN H H 9.022 0.016 1 582 133 135 GLN C C 174.615 0.079 1 583 133 135 GLN CA C 54.231 0.087 1 584 133 135 GLN CB C 29.234 0.000 1 585 133 135 GLN N N 120.111 0.121 1 586 134 136 VAL H H 7.771 0.029 1 587 134 136 VAL C C 175.922 0.027 1 588 134 136 VAL CA C 62.965 0.133 1 589 134 136 VAL CB C 31.223 0.000 1 590 134 136 VAL N N 123.827 0.305 1 591 135 137 ILE H H 8.996 0.011 1 592 135 137 ILE C C 176.046 0.028 1 593 135 137 ILE CA C 61.445 0.168 1 594 135 137 ILE CB C 37.941 0.000 1 595 135 137 ILE N N 129.100 0.168 1 596 136 138 GLY H H 9.226 0.018 1 597 136 138 GLY C C 173.017 0.020 1 598 136 138 GLY CA C 46.427 0.117 1 599 136 138 GLY N N 119.049 0.059 1 600 137 139 GLU H H 7.658 0.008 1 601 137 139 GLU C C 174.365 0.025 1 602 137 139 GLU CA C 54.560 0.122 1 603 137 139 GLU CB C 31.462 0.000 1 604 137 139 GLU N N 126.249 0.147 1 605 138 140 LEU H H 9.829 0.021 1 606 138 140 LEU C C 178.491 0.045 1 607 138 140 LEU CA C 54.914 0.107 1 608 138 140 LEU CB C 42.331 0.000 1 609 138 140 LEU N N 120.831 0.194 1 610 139 141 LYS H H 9.583 0.017 1 611 139 141 LYS C C 176.748 0.026 1 612 139 141 LYS CA C 52.221 0.138 1 613 139 141 LYS CB C 33.916 0.000 1 614 139 141 LYS N N 121.108 0.171 1 615 140 142 ASN H H 9.226 0.017 1 616 140 142 ASN C C 175.435 0.016 1 617 140 142 ASN CA C 52.820 0.122 1 618 140 142 ASN CB C 40.251 0.000 1 619 140 142 ASN N N 121.850 0.104 1 620 141 143 GLY H H 8.418 0.010 1 621 141 143 GLY C C 171.003 0.023 1 622 141 143 GLY CA C 44.564 0.093 1 623 141 143 GLY N N 111.026 0.131 1 624 142 144 GLU H H 7.724 0.022 1 625 142 144 GLU C C 175.951 0.026 1 626 142 144 GLU CA C 53.504 0.113 1 627 142 144 GLU CB C 33.259 0.000 1 628 142 144 GLU N N 119.793 0.124 1 629 143 145 ILE H H 9.806 0.012 1 630 143 145 ILE C C 176.601 0.022 1 631 143 145 ILE CA C 60.241 0.107 1 632 143 145 ILE CB C 38.665 0.000 1 633 143 145 ILE CG1 C 27.967 0.000 1 634 143 145 ILE CG2 C 16.965 0.000 1 635 143 145 ILE N N 124.825 0.128 1 636 144 146 ASP H H 8.750 0.009 1 637 144 146 ASP C C 176.343 0.009 1 638 144 146 ASP CA C 57.969 0.110 1 639 144 146 ASP CB C 40.899 0.000 1 640 144 146 ASP N N 126.608 0.124 1 641 145 147 THR H H 7.730 0.009 1 642 145 147 THR C C 170.931 0.013 1 643 145 147 THR CA C 60.407 0.114 1 644 145 147 THR CB C 70.225 0.000 1 645 145 147 THR N N 111.133 0.119 1 646 146 148 LEU H H 8.002 0.010 1 647 146 148 LEU C C 173.748 0.000 1 648 146 148 LEU CA C 51.060 0.105 1 649 146 148 LEU CB C 45.346 0.000 1 650 146 148 LEU N N 122.797 0.133 1 651 147 149 PRO C C 177.620 0.051 1 652 147 149 PRO CA C 62.038 0.000 1 653 148 150 GLU H H 9.014 0.009 1 654 148 150 GLU C C 177.673 0.036 1 655 148 150 GLU CA C 59.358 0.109 1 656 148 150 GLU CB C 28.941 0.000 1 657 148 150 GLU N N 125.341 0.162 1 658 149 151 GLU H H 9.316 0.013 1 659 149 151 GLU C C 177.082 0.026 1 660 149 151 GLU CA C 58.407 0.132 1 661 149 151 GLU CB C 27.836 0.000 1 662 149 151 GLU N N 115.356 0.173 1 663 150 152 ILE H H 7.539 0.011 1 664 150 152 ILE C C 175.477 0.025 1 665 150 152 ILE CA C 62.831 0.109 1 666 150 152 ILE CB C 37.609 0.000 1 667 150 152 ILE N N 116.788 0.114 1 668 151 153 VAL H H 6.917 0.010 1 669 151 153 VAL C C 175.635 0.000 1 670 151 153 VAL CA C 63.136 0.048 1 671 151 153 VAL CB C 31.522 0.000 1 672 151 153 VAL N N 112.574 0.125 1 673 152 154 ASN H H 9.561 0.026 1 674 152 154 ASN C C 173.126 0.027 1 675 152 154 ASN CA C 58.126 0.119 1 676 152 154 ASN N N 118.698 0.108 1 677 153 155 VAL H H 8.520 0.021 1 678 153 155 VAL C C 174.598 0.026 1 679 153 155 VAL CA C 61.615 0.154 1 680 153 155 VAL CB C 35.770 0.000 1 681 153 155 VAL N N 119.796 0.099 1 682 154 156 SER H H 9.055 0.013 1 683 154 156 SER C C 172.418 0.000 1 684 154 156 SER CA C 57.337 0.052 1 685 154 156 SER CB C 63.965 0.000 1 686 154 156 SER N N 122.158 0.099 1 687 157 159 GLY C C 173.252 0.044 1 688 157 159 GLY CA C 45.670 0.000 1 689 158 160 TYR H H 6.934 0.008 1 690 158 160 TYR C C 171.118 0.049 1 691 158 160 TYR CA C 54.863 0.157 1 692 158 160 TYR CB C 40.074 0.000 1 693 158 160 TYR N N 113.260 0.140 1 694 159 161 ASP H H 9.080 0.017 1 695 159 161 ASP C C 174.737 0.061 1 696 159 161 ASP CA C 51.895 0.084 1 697 159 161 ASP CB C 44.427 0.000 1 698 159 161 ASP N N 119.027 0.208 1 699 160 162 PHE H H 9.031 0.010 1 700 160 162 PHE C C 174.729 0.000 1 701 160 162 PHE CA C 62.196 0.098 1 702 160 162 PHE CB C 38.747 0.000 1 703 160 162 PHE N N 117.071 0.198 1 704 161 163 GLN H H 8.777 0.000 1 705 161 163 GLN C C 173.867 0.011 1 706 161 163 GLN CA C 52.276 0.000 1 707 161 163 GLN N N 123.938 0.035 1 708 162 164 GLN H H 8.223 0.006 1 709 162 164 GLN C C 175.466 0.000 1 710 162 164 GLN CA C 52.864 0.134 1 711 162 164 GLN CB C 27.026 0.000 1 712 162 164 GLN N N 115.711 0.157 1 713 163 165 PRO C C 177.435 0.019 1 714 163 165 PRO CA C 63.506 0.000 1 715 164 166 GLY H H 10.269 0.031 1 716 164 166 GLY C C 174.817 0.020 1 717 164 166 GLY CA C 45.502 0.087 1 718 164 166 GLY N N 115.747 0.104 1 719 165 167 GLN H H 7.775 0.015 1 720 165 167 GLN C C 176.011 0.034 1 721 165 167 GLN CA C 58.828 0.049 1 722 165 167 GLN CB C 30.224 0.000 1 723 165 167 GLN N N 121.082 0.166 1 724 166 168 THR H H 7.640 0.003 1 725 166 168 THR C C 172.364 0.005 1 726 166 168 THR CA C 59.163 0.093 1 727 166 168 THR N N 102.537 0.061 1 728 167 169 THR H H 8.836 0.011 1 729 167 169 THR C C 174.040 0.028 1 730 167 169 THR CA C 60.244 0.157 1 731 167 169 THR CB C 70.413 0.000 1 732 167 169 THR N N 113.056 0.145 1 733 168 170 GLY H H 8.879 0.011 1 734 168 170 GLY C C 173.374 0.014 1 735 168 170 GLY CA C 43.794 0.090 1 736 168 170 GLY N N 112.249 0.160 1 737 169 171 GLU H H 8.327 0.011 1 738 169 171 GLU C C 175.361 0.020 1 739 169 171 GLU CA C 56.398 0.123 1 740 169 171 GLU CB C 29.564 0.000 1 741 169 171 GLU N N 114.296 0.150 1 742 170 172 ALA H H 9.114 0.023 1 743 170 172 ALA C C 175.979 0.000 1 744 170 172 ALA CA C 51.001 0.110 1 745 170 172 ALA CB C 15.564 0.000 1 746 170 172 ALA N N 123.850 0.138 1 747 171 173 PRO C C 174.566 0.039 1 748 171 173 PRO CA C 64.428 0.000 1 749 172 174 GLY H H 8.619 0.006 1 750 172 174 GLY C C 173.449 0.025 1 751 172 174 GLY CA C 43.488 0.107 1 752 172 174 GLY N N 116.638 0.120 1 753 173 175 THR H H 9.630 0.010 1 754 173 175 THR C C 173.203 0.007 1 755 173 175 THR CA C 60.570 0.104 1 756 173 175 THR CB C 70.864 0.000 1 757 173 175 THR N N 115.726 0.180 1 758 174 176 VAL H H 8.351 0.013 1 759 174 176 VAL C C 174.325 0.000 1 760 174 176 VAL CA C 59.239 0.120 1 761 174 176 VAL CB C 31.921 0.000 1 762 174 176 VAL N N 121.835 0.167 1 stop_ save_