data_26773 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of Spectrin repeat a17 ; _BMRB_accession_number 26773 _BMRB_flat_file_name bmr26773.str _Entry_type original _Submission_date 2016-04-01 _Accession_date 2016-04-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Residue specific chemical shift assignments of human erythrocytic Spectrin alpha chain repeat 17' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cutts Erin E. . 2 Vakonakis Ioannis . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 241 "13C chemical shifts" 368 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-25 update BMRB 'update entry citation' 2017-08-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26772 Assembly-1 stop_ _Original_release_date 2016-04-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural analysis of P. falciparum KAHRP and PfEMP1 complexes with host erythrocyte spectrin suggests a model for cytoadherent knob protrusions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28806784 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cutts Erin E. . 2 Laasch Niklas . . 3 Reiter Dirk M. . 4 Trenker Raphael . . 5 Slater Leanne M. . 6 Stansfeld Phillip J. . 7 Vakonakis Ioannis . . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_name_full 'PLoS pathogens' _Journal_volume 13 _Journal_issue 8 _Journal_ISSN 1553-7374 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1006552 _Page_last e1006552 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name a17 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label a17 $a17 stop_ _System_molecular_weight 14699.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_a17 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common a17 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Component of erythrocyte cytoskeleton' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GPGAHHEKLKEAYALFQFFQ DLDDEESWIEEKLIRVSSQD YGRDLQGVQNLLKKHKRLEG ELVAHEPAIQNVLDMAEKLK DKAAVGQEEIQLRLAQFVEH WEKLKELAKARGLKLEESLE YLQFMQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 GLY 4 4 ALA 5 5 HIS 6 6 HIS 7 7 GLU 8 8 LYS 9 9 LEU 10 10 LYS 11 11 GLU 12 12 ALA 13 13 TYR 14 14 ALA 15 15 LEU 16 16 PHE 17 17 GLN 18 18 PHE 19 19 PHE 20 20 GLN 21 21 ASP 22 22 LEU 23 23 ASP 24 24 ASP 25 25 GLU 26 26 GLU 27 27 SER 28 28 TRP 29 29 ILE 30 30 GLU 31 31 GLU 32 32 LYS 33 33 LEU 34 34 ILE 35 35 ARG 36 36 VAL 37 37 SER 38 38 SER 39 39 GLN 40 40 ASP 41 41 TYR 42 42 GLY 43 43 ARG 44 44 ASP 45 45 LEU 46 46 GLN 47 47 GLY 48 48 VAL 49 49 GLN 50 50 ASN 51 51 LEU 52 52 LEU 53 53 LYS 54 54 LYS 55 55 HIS 56 56 LYS 57 57 ARG 58 58 LEU 59 59 GLU 60 60 GLY 61 61 GLU 62 62 LEU 63 63 VAL 64 64 ALA 65 65 HIS 66 66 GLU 67 67 PRO 68 68 ALA 69 69 ILE 70 70 GLN 71 71 ASN 72 72 VAL 73 73 LEU 74 74 ASP 75 75 MET 76 76 ALA 77 77 GLU 78 78 LYS 79 79 LEU 80 80 LYS 81 81 ASP 82 82 LYS 83 83 ALA 84 84 ALA 85 85 VAL 86 86 GLY 87 87 GLN 88 88 GLU 89 89 GLU 90 90 ILE 91 91 GLN 92 92 LEU 93 93 ARG 94 94 LEU 95 95 ALA 96 96 GLN 97 97 PHE 98 98 VAL 99 99 GLU 100 100 HIS 101 101 TRP 102 102 GLU 103 103 LYS 104 104 LEU 105 105 LYS 106 106 GLU 107 107 LEU 108 108 ALA 109 109 LYS 110 110 ALA 111 111 ARG 112 112 GLY 113 113 LEU 114 114 LYS 115 115 LEU 116 116 GLU 117 117 GLU 118 118 SER 119 119 LEU 120 120 GLU 121 121 TYR 122 122 LEU 123 123 GLN 124 124 PHE 125 125 MET 126 126 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P02549 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $a17 human 9606 Eukaryota Metazoa Homo sapiens spta1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $a17 'recombinant technology' . Escherichia coli BL21(DE3) Rosetta2 pET16c 'Plasmid modified to include a 3C protease site' 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 $a17 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 300 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' DSS 0.05 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address 'Prof. Geerten Vuister' 'University of Leicester' . stop_ loop_ _Task 'data analysis' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details ; Bruker Avance III HD Cryogenic TCI probehead Oxford Instruments 750MHz magnet ; 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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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' 0.34 . M pH 6.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CCPN_Analysis $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name a17 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.4587 0.005 1 2 2 2 PRO C C 177.3496 0.2 1 3 2 2 PRO CA C 63.4864 0.2 1 4 2 2 PRO CB C 32.2884 0.2 1 5 3 3 GLY H H 8.5168 0.005 1 6 3 3 GLY HA2 H 3.9387 0.005 1 7 3 3 GLY HA3 H 3.9387 0.005 1 8 3 3 GLY C C 173.9508 0.2 1 9 3 3 GLY CA C 45.3462 0.2 1 10 3 3 GLY N N 109.7083 0.05 1 11 4 4 ALA H H 8.0669 0.005 1 12 4 4 ALA HA H 4.3664 0.005 1 13 4 4 ALA C C 177.8396 0.2 1 14 4 4 ALA CA C 52.6826 0.2 1 15 4 4 ALA CB C 19.3538 0.2 1 16 4 4 ALA N N 123.3806 0.05 1 17 5 5 HIS H H 8.327 0.005 1 18 5 5 HIS CA C 56.4505 0.2 1 19 5 5 HIS CB C 30.0361 0.2 1 20 5 5 HIS N N 118.2725 0.05 1 21 6 6 HIS H H 8.1684 0.005 1 22 6 6 HIS HA H 4.4931 0.005 1 23 6 6 HIS C C 175.7414 0.2 1 24 6 6 HIS CA C 56.9578 0.2 1 25 6 6 HIS CB C 30.3729 0.2 1 26 6 6 HIS N N 120.0008 0.05 1 27 7 7 GLU H H 8.408 0.005 1 28 7 7 GLU HA H 4.1652 0.005 1 29 7 7 GLU C C 177.2351 0.2 1 30 7 7 GLU CA C 57.7216 0.2 1 31 7 7 GLU CB C 30.0274 0.2 1 32 7 7 GLU N N 121.6817 0.05 1 33 8 8 LYS H H 8.2533 0.005 1 34 8 8 LYS HA H 4.2454 0.005 1 35 8 8 LYS C C 177.5788 0.2 1 36 8 8 LYS CA C 57.3496 0.2 1 37 8 8 LYS CB C 32.557 0.2 1 38 8 8 LYS N N 121.0875 0.05 1 39 9 9 LEU H H 8.0189 0.005 1 40 9 9 LEU C C 177.9195 0.2 1 41 9 9 LEU CA C 56.2575 0.2 1 42 9 9 LEU CB C 42.1077 0.2 1 43 9 9 LEU N N 121.9303 0.05 1 44 10 10 LYS H H 8.0493 0.005 1 45 10 10 LYS C C 178.1018 0.2 1 46 10 10 LYS CA C 58.1112 0.2 1 47 10 10 LYS CB C 32.5984 0.2 1 48 10 10 LYS N N 120.5426 0.05 1 49 11 11 GLU H H 8.2196 0.005 1 50 11 11 GLU HA H 4.1544 0.005 1 51 11 11 GLU C C 177.2712 0.2 1 52 11 11 GLU CA C 58.2473 0.2 1 53 11 11 GLU CB C 29.9908 0.2 1 54 11 11 GLU N N 120.535 0.05 1 55 12 12 ALA H H 8.0367 0.005 1 56 12 12 ALA HA H 4.1983 0.005 1 57 12 12 ALA C C 179.0024 0.2 1 58 12 12 ALA CA C 54.0867 0.2 1 59 12 12 ALA CB C 18.7231 0.2 1 60 12 12 ALA N N 122.3912 0.05 1 61 13 13 TYR H H 8.0581 0.005 1 62 13 13 TYR HA H 4.3869 0.005 1 63 13 13 TYR C C 176.8914 0.2 1 64 13 13 TYR CA C 59.8628 0.2 1 65 13 13 TYR CB C 38.2434 0.2 1 66 13 13 TYR N N 118.8742 0.05 1 67 14 14 ALA H H 8.027 0.005 1 68 14 14 ALA HA H 4.1791 0.005 1 69 14 14 ALA C C 179.7921 0.2 1 70 14 14 ALA CA C 54.4702 0.2 1 71 14 14 ALA CB C 18.7738 0.2 1 72 14 14 ALA N N 122.9295 0.05 1 73 15 15 LEU H H 7.9547 0.005 1 74 15 15 LEU HA H 3.9805 0.005 1 75 15 15 LEU C C 177.5679 0.2 1 76 15 15 LEU CA C 57.8429 0.2 1 77 15 15 LEU CB C 42.0001 0.2 1 78 15 15 LEU N N 119.259 0.05 1 79 16 16 PHE H H 7.8965 0.005 1 80 16 16 PHE HA H 4.3531 0.005 1 81 16 16 PHE C C 178.2121 0.2 1 82 16 16 PHE CA C 61.0148 0.2 1 83 16 16 PHE CB C 38.6177 0.2 1 84 16 16 PHE N N 117.6967 0.05 1 85 17 17 GLN H H 8.1148 0.005 1 86 17 17 GLN HA H 3.8355 0.005 1 87 17 17 GLN C C 177.1221 0.2 1 88 17 17 GLN CA C 58.4519 0.2 1 89 17 17 GLN CB C 28.7008 0.2 1 90 17 17 GLN N N 119.2976 0.05 1 91 18 18 PHE H H 7.8088 0.005 1 92 18 18 PHE HA H 4.2886 0.005 1 93 18 18 PHE C C 176.1152 0.2 1 94 18 18 PHE CA C 60.8904 0.2 1 95 18 18 PHE CB C 38.8112 0.2 1 96 18 18 PHE N N 119.5649 0.05 1 97 19 19 PHE H H 7.9447 0.005 1 98 19 19 PHE HA H 3.8587 0.005 1 99 19 19 PHE C C 178.1123 0.2 1 100 19 19 PHE CA C 61.3777 0.2 1 101 19 19 PHE CB C 37.9384 0.2 1 102 19 19 PHE N N 115.9565 0.05 1 103 20 20 GLN H H 7.7856 0.005 1 104 20 20 GLN HA H 3.9922 0.005 1 105 20 20 GLN C C 177.6246 0.2 1 106 20 20 GLN CA C 58.8892 0.2 1 107 20 20 GLN CB C 28.8278 0.2 1 108 20 20 GLN N N 119.7037 0.05 1 109 21 21 ASP H H 8.297 0.005 1 110 21 21 ASP HA H 4.0968 0.005 1 111 21 21 ASP C C 178.0673 0.2 1 112 21 21 ASP CA C 57.7706 0.2 1 113 21 21 ASP CB C 39.7166 0.2 1 114 21 21 ASP N N 121.1813 0.05 1 115 22 22 LEU H H 8.2292 0.005 1 116 22 22 LEU HA H 4.0737 0.005 1 117 22 22 LEU C C 179.6669 0.2 1 118 22 22 LEU CA C 58.5071 0.2 1 119 22 22 LEU CB C 41.2447 0.2 1 120 22 22 LEU N N 120.9297 0.05 1 121 23 23 ASP H H 7.9523 0.005 1 122 23 23 ASP HA H 4.3042 0.005 1 123 23 23 ASP C C 179.7834 0.2 1 124 23 23 ASP CA C 57.6953 0.2 1 125 23 23 ASP CB C 40.7357 0.2 1 126 23 23 ASP N N 118.5082 0.05 1 127 24 24 ASP H H 8.3667 0.005 1 128 24 24 ASP HA H 4.4761 0.005 1 129 24 24 ASP C C 180.2035 0.2 1 130 24 24 ASP CA C 57.8031 0.2 1 131 24 24 ASP CB C 40.4093 0.2 1 132 24 24 ASP N N 120.6983 0.05 1 133 25 25 GLU H H 8.6376 0.005 1 134 25 25 GLU HA H 4.7758 0.005 1 135 25 25 GLU C C 179.5421 0.2 1 136 25 25 GLU CA C 58.4978 0.2 1 137 25 25 GLU CB C 29.501 0.2 1 138 25 25 GLU N N 120.6391 0.05 1 139 26 26 GLU H H 9.2375 0.005 1 140 26 26 GLU HA H 4.371 0.005 1 141 26 26 GLU C C 179.8277 0.2 1 142 26 26 GLU CA C 60.5356 0.2 1 143 26 26 GLU CB C 30.4702 0.2 1 144 26 26 GLU N N 121.1128 0.05 1 145 27 27 SER H H 8.154 0.005 1 146 27 27 SER HA H 4.1973 0.005 1 147 27 27 SER C C 176.559 0.2 1 148 27 27 SER CA C 62.0659 0.2 1 149 27 27 SER CB C 62.9122 0.2 1 150 27 27 SER N N 114.4396 0.05 1 151 28 28 TRP H H 7.9961 0.005 1 152 28 28 TRP HA H 4.1348 0.005 1 153 28 28 TRP C C 178.3927 0.2 1 154 28 28 TRP CA C 62.6508 0.2 1 155 28 28 TRP CB C 29.0474 0.2 1 156 28 28 TRP N N 125.3352 0.05 1 157 29 29 ILE H H 8.8885 0.005 1 158 29 29 ILE HA H 4.2439 0.005 1 159 29 29 ILE C C 177.8369 0.2 1 160 29 29 ILE CA C 65.9078 0.2 1 161 29 29 ILE CB C 38.5737 0.2 1 162 29 29 ILE N N 119.2172 0.05 1 163 30 30 GLU H H 8.3344 0.005 1 164 30 30 GLU C C 178.7428 0.2 1 165 30 30 GLU CA C 59.7616 0.2 1 166 30 30 GLU CB C 29.4367 0.2 1 167 30 30 GLU N N 118.3018 0.05 1 168 31 31 GLU H H 7.6575 0.005 1 169 31 31 GLU C C 179.3952 0.2 1 170 31 31 GLU CA C 59.5052 0.2 1 171 31 31 GLU CB C 29.2209 0.2 1 172 31 31 GLU N N 118.4177 0.05 1 173 32 32 LYS H H 7.6116 0.005 1 174 32 32 LYS HA H 3.7456 0.005 1 175 32 32 LYS C C 178.8358 0.2 1 176 32 32 LYS CA C 57.2387 0.2 1 177 32 32 LYS CB C 32.0222 0.2 1 178 32 32 LYS N N 117.0497 0.05 1 179 33 33 LEU H H 8.7939 0.005 1 180 33 33 LEU HA H 3.92 0.005 1 181 33 33 LEU C C 179.9101 0.2 1 182 33 33 LEU CA C 57.8755 0.2 1 183 33 33 LEU CB C 42.0541 0.2 1 184 33 33 LEU N N 121.4369 0.05 1 185 34 34 ILE H H 7.5257 0.005 1 186 34 34 ILE HA H 3.6404 0.005 1 187 34 34 ILE C C 179.2928 0.2 1 188 34 34 ILE CA C 64.7852 0.2 1 189 34 34 ILE CB C 37.9575 0.2 1 190 34 34 ILE N N 119.5454 0.05 1 191 35 35 ARG H H 7.2767 0.005 1 192 35 35 ARG HA H 4.0805 0.005 1 193 35 35 ARG C C 179.8622 0.2 1 194 35 35 ARG CA C 58.8984 0.2 1 195 35 35 ARG CB C 30.0822 0.2 1 196 35 35 ARG N N 118.5653 0.05 1 197 36 36 VAL H H 8.2659 0.005 1 198 36 36 VAL HA H 4.2578 0.005 1 199 36 36 VAL C C 175.4849 0.2 1 200 36 36 VAL CA C 63.2569 0.2 1 201 36 36 VAL CB C 31.5331 0.2 1 202 36 36 VAL N N 112.3956 0.05 1 203 37 37 SER H H 7.3966 0.005 1 204 37 37 SER HA H 4.4142 0.005 1 205 37 37 SER C C 173.6678 0.2 1 206 37 37 SER CA C 59.3421 0.2 1 207 37 37 SER CB C 63.3666 0.2 1 208 37 37 SER N N 115.0488 0.05 1 209 38 38 SER H H 6.9094 0.005 1 210 38 38 SER HA H 4.1463 0.005 1 211 38 38 SER C C 175.3399 0.2 1 212 38 38 SER CA C 58.3888 0.2 1 213 38 38 SER CB C 63.7991 0.2 1 214 38 38 SER N N 114.2262 0.05 1 215 39 39 GLN H H 8.5467 0.005 1 216 39 39 GLN C C 173.7832 0.2 1 217 39 39 GLN CA C 54.675 0.2 1 218 39 39 GLN CB C 28.3586 0.2 1 219 39 39 GLN N N 125.6772 0.05 1 220 40 40 ASP H H 7.6727 0.005 1 221 40 40 ASP HA H 4.4814 0.005 1 222 40 40 ASP C C 175.8863 0.2 1 223 40 40 ASP CA C 53.51 0.2 1 224 40 40 ASP CB C 40.827 0.2 1 225 40 40 ASP N N 119.2051 0.05 1 226 41 41 TYR H H 8.4926 0.005 1 227 41 41 TYR HA H 4.6442 0.005 1 228 41 41 TYR C C 175.0276 0.2 1 229 41 41 TYR CA C 56.8475 0.2 1 230 41 41 TYR CB C 38.5398 0.2 1 231 41 41 TYR N N 125.5642 0.05 1 232 42 42 GLY H H 8.0532 0.005 1 233 42 42 GLY HA2 H 4.0547 0.005 1 234 42 42 GLY HA3 H 4.0547 0.005 1 235 42 42 GLY C C 173.8366 0.2 1 236 42 42 GLY CA C 44.4287 0.2 1 237 42 42 GLY N N 106.971 0.05 1 238 43 43 ARG H H 8.9795 0.005 1 239 43 43 ARG HA H 4.5299 0.005 1 240 43 43 ARG C C 174.9241 0.2 1 241 43 43 ARG CA C 56.0171 0.2 1 242 43 43 ARG CB C 32.1085 0.2 1 243 43 43 ARG N N 118.0864 0.05 1 244 44 44 ASP H H 7.7411 0.005 1 245 44 44 ASP HA H 4.6172 0.005 1 246 44 44 ASP C C 174.8463 0.2 1 247 44 44 ASP CA C 52.2073 0.2 1 248 44 44 ASP CB C 42.4686 0.2 1 249 44 44 ASP N N 116.38 0.05 1 250 45 45 LEU H H 8.702 0.005 1 251 45 45 LEU HA H 3.9544 0.005 1 252 45 45 LEU C C 177.9584 0.2 1 253 45 45 LEU CA C 58.9692 0.2 1 254 45 45 LEU CB C 42.0406 0.2 1 255 45 45 LEU N N 121.7119 0.05 1 256 46 46 GLN H H 8.4531 0.005 1 257 46 46 GLN HA H 4.0592 0.005 1 258 46 46 GLN C C 178.9651 0.2 1 259 46 46 GLN CA C 59.1425 0.2 1 260 46 46 GLN CB C 28.1604 0.2 1 261 46 46 GLN N N 117.6114 0.05 1 262 47 47 GLY H H 8.6114 0.005 1 263 47 47 GLY HA2 H 4.2175 0.005 1 264 47 47 GLY HA3 H 4.2175 0.005 1 265 47 47 GLY C C 177.1906 0.2 1 266 47 47 GLY CA C 47.2606 0.2 1 267 47 47 GLY N N 109.5018 0.05 1 268 48 48 VAL H H 8.6404 0.005 1 269 48 48 VAL HA H 3.8563 0.005 1 270 48 48 VAL C C 177.7136 0.2 1 271 48 48 VAL CA C 66.4416 0.2 1 272 48 48 VAL CB C 31.553 0.2 1 273 48 48 VAL N N 122.644 0.05 1 274 49 49 GLN H H 8.4065 0.005 1 275 49 49 GLN HA H 4.0751 0.005 1 276 49 49 GLN C C 179.6238 0.2 1 277 49 49 GLN CA C 60.0072 0.2 1 278 49 49 GLN CB C 28.305 0.2 1 279 49 49 GLN N N 120.1112 0.05 1 280 50 50 ASN H H 8.1426 0.005 1 281 50 50 ASN HA H 4.5425 0.005 1 282 50 50 ASN C C 178.1574 0.2 1 283 50 50 ASN CA C 56.6094 0.2 1 284 50 50 ASN CB C 38.6241 0.2 1 285 50 50 ASN N N 118.8643 0.05 1 286 51 51 LEU H H 8.3069 0.005 1 287 51 51 LEU HA H 4.0706 0.005 1 288 51 51 LEU C C 181.0977 0.2 1 289 51 51 LEU CA C 57.9775 0.2 1 290 51 51 LEU CB C 42.456 0.2 1 291 51 51 LEU N N 120.662 0.05 1 292 52 52 LEU H H 9.1142 0.005 1 293 52 52 LEU HA H 4.2159 0.005 1 294 52 52 LEU C C 178.5012 0.2 1 295 52 52 LEU CA C 58.6002 0.2 1 296 52 52 LEU CB C 42.1594 0.2 1 297 52 52 LEU N N 123.7559 0.05 1 298 53 53 LYS H H 7.9583 0.005 1 299 53 53 LYS HA H 4.0582 0.005 1 300 53 53 LYS C C 180.335 0.2 1 301 53 53 LYS CA C 60.3228 0.2 1 302 53 53 LYS CB C 32.3231 0.2 1 303 53 53 LYS N N 120.6742 0.05 1 304 54 54 LYS H H 7.7932 0.005 1 305 54 54 LYS HA H 4.0432 0.005 1 306 54 54 LYS C C 179.59 0.2 1 307 54 54 LYS CA C 59.774 0.2 1 308 54 54 LYS CB C 32.8073 0.2 1 309 54 54 LYS N N 118.5862 0.05 1 310 55 55 HIS H H 8.7003 0.005 1 311 55 55 HIS HA H 4.2743 0.005 1 312 55 55 HIS C C 177.1532 0.2 1 313 55 55 HIS CA C 60.876 0.2 1 314 55 55 HIS CB C 31.9549 0.2 1 315 55 55 HIS N N 122.6505 0.05 1 316 56 56 LYS H H 8.6756 0.005 1 317 56 56 LYS HA H 4.101 0.005 1 318 56 56 LYS C C 180.5627 0.2 1 319 56 56 LYS CA C 58.9791 0.2 1 320 56 56 LYS CB C 31.659 0.2 1 321 56 56 LYS N N 118.4547 0.05 1 322 57 57 ARG H H 7.4596 0.005 1 323 57 57 ARG HA H 4.2031 0.005 1 324 57 57 ARG C C 179.0122 0.2 1 325 57 57 ARG CA C 59.342 0.2 1 326 57 57 ARG CB C 29.6213 0.2 1 327 57 57 ARG N N 119.9399 0.05 1 328 58 58 LEU H H 7.5478 0.005 1 329 58 58 LEU HA H 4.2197 0.005 1 330 58 58 LEU C C 178.9974 0.2 1 331 58 58 LEU CA C 58.8387 0.2 1 332 58 58 LEU CB C 40.4426 0.2 1 333 58 58 LEU N N 123.8422 0.05 1 334 59 59 GLU H H 8.6976 0.005 1 335 59 59 GLU HA H 3.7689 0.005 1 336 59 59 GLU C C 180.0531 0.2 1 337 59 59 GLU CA C 60.6942 0.2 1 338 59 59 GLU CB C 29.6813 0.2 1 339 59 59 GLU N N 119.1279 0.05 1 340 60 60 GLY H H 7.895 0.005 1 341 60 60 GLY HA2 H 4.0119 0.005 1 342 60 60 GLY HA3 H 4.0119 0.005 1 343 60 60 GLY C C 177.0836 0.2 1 344 60 60 GLY CA C 47.1682 0.2 1 345 60 60 GLY N N 105.4126 0.05 1 346 61 61 GLU H H 8.1817 0.005 1 347 61 61 GLU HA H 4.3426 0.005 1 348 61 61 GLU C C 179.5696 0.2 1 349 61 61 GLU CA C 59.8701 0.2 1 350 61 61 GLU CB C 30.3594 0.2 1 351 61 61 GLU N N 124.4476 0.05 1 352 62 62 LEU H H 8.5416 0.005 1 353 62 62 LEU HA H 4.0736 0.005 1 354 62 62 LEU C C 179.8316 0.2 1 355 62 62 LEU CA C 59.6583 0.2 1 356 62 62 LEU CB C 41.3238 0.2 1 357 62 62 LEU N N 119.8723 0.05 1 358 63 63 VAL H H 7.6254 0.005 1 359 63 63 VAL HA H 3.9733 0.005 1 360 63 63 VAL C C 179.5602 0.2 1 361 63 63 VAL CA C 66.2361 0.2 1 362 63 63 VAL CB C 32.1593 0.2 1 363 63 63 VAL N N 117.9499 0.05 1 364 64 64 ALA H H 7.979 0.005 1 365 64 64 ALA HA H 4.2302 0.005 1 366 64 64 ALA C C 179.0665 0.2 1 367 64 64 ALA CA C 54.2825 0.2 1 368 64 64 ALA CB C 18.658 0.2 1 369 64 64 ALA N N 121.2207 0.05 1 370 65 65 HIS H H 8.1209 0.005 1 371 65 65 HIS HA H 4.2246 0.005 1 372 65 65 HIS C C 175.3912 0.2 1 373 65 65 HIS CA C 56.3154 0.2 1 374 65 65 HIS CB C 30.0019 0.2 1 375 65 65 HIS N N 115.0286 0.05 1 376 66 66 GLU H H 7.6413 0.005 1 377 66 66 GLU C C 174.7168 0.2 1 378 66 66 GLU CA C 62.0721 0.2 1 379 66 66 GLU CB C 27.336 0.2 1 380 66 66 GLU N N 120.7798 0.05 1 381 67 67 PRO C C 178.7742 0.2 1 382 67 67 PRO CA C 65.9462 0.2 1 383 67 67 PRO CB C 30.7923 0.2 1 384 68 68 ALA H H 7.0858 0.005 1 385 68 68 ALA HA H 3.981 0.005 1 386 68 68 ALA C C 180.4582 0.2 1 387 68 68 ALA CA C 54.6317 0.2 1 388 68 68 ALA CB C 17.646 0.2 1 389 68 68 ALA N N 120.9669 0.05 1 390 69 69 ILE H H 7.3808 0.005 1 391 69 69 ILE HA H 3.4844 0.005 1 392 69 69 ILE C C 178.1994 0.2 1 393 69 69 ILE CA C 63.3997 0.2 1 394 69 69 ILE CB C 36.1179 0.2 1 395 69 69 ILE N N 119.9844 0.05 1 396 70 70 GLN H H 8.1165 0.005 1 397 70 70 GLN HA H 3.8268 0.005 1 398 70 70 GLN C C 178.0739 0.2 1 399 70 70 GLN CA C 58.2635 0.2 1 400 70 70 GLN CB C 28.1145 0.2 1 401 70 70 GLN N N 117.8163 0.05 1 402 71 71 ASN H H 8.0314 0.005 1 403 71 71 ASN HA H 4.4681 0.005 1 404 71 71 ASN C C 177.531 0.2 1 405 71 71 ASN CA C 56.8086 0.2 1 406 71 71 ASN CB C 38.7059 0.2 1 407 71 71 ASN N N 116.6005 0.05 1 408 72 72 VAL H H 7.4737 0.005 1 409 72 72 VAL HA H 4.0918 0.005 1 410 72 72 VAL C C 177.642 0.2 1 411 72 72 VAL CA C 67.2797 0.2 1 412 72 72 VAL CB C 31.4615 0.2 1 413 72 72 VAL N N 120.1429 0.05 1 414 73 73 LEU H H 7.6492 0.005 1 415 73 73 LEU HA H 4.0307 0.005 1 416 73 73 LEU C C 180.2555 0.2 1 417 73 73 LEU CA C 58.2733 0.2 1 418 73 73 LEU CB C 40.782 0.2 1 419 73 73 LEU N N 118.9311 0.05 1 420 74 74 ASP H H 8.7965 0.005 1 421 74 74 ASP C C 179.5241 0.2 1 422 74 74 ASP CA C 57.3421 0.2 1 423 74 74 ASP CB C 40.8029 0.2 1 424 74 74 ASP N N 120.7864 0.05 1 425 75 75 MET H H 8.3622 0.005 1 426 75 75 MET HA H 4.0977 0.005 1 427 75 75 MET C C 178.0673 0.2 1 428 75 75 MET CA C 57.5088 0.2 1 429 75 75 MET CB C 32.2422 0.2 1 430 75 75 MET N N 120.4442 0.05 1 431 76 76 ALA H H 8.238 0.005 1 432 76 76 ALA C C 179.6669 0.2 1 433 76 76 ALA CA C 55.0897 0.2 1 434 76 76 ALA CB C 19.1257 0.2 1 435 76 76 ALA N N 120.9662 0.05 1 436 77 77 GLU H H 7.3904 0.005 1 437 77 77 GLU HA H 3.9784 0.005 1 438 77 77 GLU C C 179.0241 0.2 1 439 77 77 GLU CA C 58.7871 0.2 1 440 77 77 GLU CB C 29.4626 0.2 1 441 77 77 GLU N N 116.1174 0.05 1 442 78 78 LYS H H 7.6031 0.005 1 443 78 78 LYS HA H 4.0609 0.005 1 444 78 78 LYS C C 178.7325 0.2 1 445 78 78 LYS CA C 58.6508 0.2 1 446 78 78 LYS CB C 32.6108 0.2 1 447 78 78 LYS N N 118.6399 0.05 1 448 79 79 LEU H H 7.7266 0.005 1 449 79 79 LEU HA H 4.1872 0.005 1 450 79 79 LEU C C 177.9134 0.2 1 451 79 79 LEU CA C 55.2872 0.2 1 452 79 79 LEU CB C 42.2673 0.2 1 453 79 79 LEU N N 117.8269 0.05 1 454 80 80 LYS H H 7.3595 0.005 1 455 80 80 LYS HA H 3.8582 0.005 1 456 80 80 LYS C C 176.6745 0.2 1 457 80 80 LYS CA C 59.3322 0.2 1 458 80 80 LYS CB C 32.3612 0.2 1 459 80 80 LYS N N 118.7809 0.05 1 460 81 81 ASP H H 8.0217 0.005 1 461 81 81 ASP HA H 4.5607 0.005 1 462 81 81 ASP C C 176.8576 0.2 1 463 81 81 ASP CA C 54.9517 0.2 1 464 81 81 ASP CB C 40.9011 0.2 1 465 81 81 ASP N N 117.0617 0.05 1 466 82 82 LYS H H 7.846 0.005 1 467 82 82 LYS HA H 4.3616 0.005 1 468 82 82 LYS C C 177.0607 0.2 1 469 82 82 LYS CA C 55.5247 0.2 1 470 82 82 LYS CB C 32.2411 0.2 1 471 82 82 LYS N N 119.3653 0.05 1 472 83 83 ALA H H 8.3624 0.005 1 473 83 83 ALA HA H 4.1981 0.005 1 474 83 83 ALA C C 178.2683 0.2 1 475 83 83 ALA CA C 53.8278 0.2 1 476 83 83 ALA CB C 18.6529 0.2 1 477 83 83 ALA N N 125.2557 0.05 1 478 84 84 ALA H H 8.3639 0.005 1 479 84 84 ALA HA H 4.2809 0.005 1 480 84 84 ALA C C 178.1017 0.2 1 481 84 84 ALA CA C 53.7572 0.2 1 482 84 84 ALA CB C 19.6151 0.2 1 483 84 84 ALA N N 119.5713 0.05 1 484 85 85 VAL H H 7.4133 0.005 1 485 85 85 VAL HA H 4.1308 0.005 1 486 85 85 VAL C C 175.9347 0.2 1 487 85 85 VAL CA C 62.7012 0.2 1 488 85 85 VAL CB C 32.8413 0.2 1 489 85 85 VAL N N 115.0915 0.05 1 490 86 86 GLY H H 8.3003 0.005 1 491 86 86 GLY HA2 H 3.9324 0.005 1 492 86 86 GLY HA3 H 3.9324 0.005 1 493 86 86 GLY C C 174.7952 0.2 1 494 86 86 GLY CA C 45.8565 0.2 1 495 86 86 GLY N N 108.508 0.05 1 496 87 87 GLN H H 7.7895 0.005 1 497 87 87 GLN C C 177.4255 0.2 1 498 87 87 GLN CA C 57.4606 0.2 1 499 87 87 GLN CB C 29.3173 0.2 1 500 87 87 GLN N N 119.6001 0.05 1 501 88 88 GLU H H 8.9822 0.005 1 502 88 88 GLU C C 178.3304 0.2 1 503 88 88 GLU CA C 60.1565 0.2 1 504 88 88 GLU CB C 29.4555 0.2 1 505 88 88 GLU N N 122.4116 0.05 1 506 89 89 GLU H H 8.6879 0.005 1 507 89 89 GLU HA H 4.0802 0.005 1 508 89 89 GLU C C 179.1812 0.2 1 509 89 89 GLU CA C 59.6826 0.2 1 510 89 89 GLU CB C 29.4866 0.2 1 511 89 89 GLU N N 118.4789 0.05 1 512 90 90 ILE H H 7.6556 0.005 1 513 90 90 ILE HA H 3.9709 0.005 1 514 90 90 ILE C C 177.4608 0.2 1 515 90 90 ILE CA C 63.3627 0.2 1 516 90 90 ILE CB C 36.9095 0.2 1 517 90 90 ILE N N 118.502 0.05 1 518 91 91 GLN H H 8.1447 0.005 1 519 91 91 GLN HA H 4.0526 0.005 1 520 91 91 GLN C C 179.4471 0.2 1 521 91 91 GLN CA C 59.3401 0.2 1 522 91 91 GLN CB C 28.3179 0.2 1 523 91 91 GLN N N 119.2451 0.05 1 524 92 92 LEU H H 8.3043 0.005 1 525 92 92 LEU HA H 4.2488 0.005 1 526 92 92 LEU C C 179.4754 0.2 1 527 92 92 LEU CA C 58.1481 0.2 1 528 92 92 LEU CB C 41.8287 0.2 1 529 92 92 LEU N N 120.9065 0.05 1 530 93 93 ARG H H 7.8823 0.005 1 531 93 93 ARG HA H 4.1728 0.005 1 532 93 93 ARG C C 180.1822 0.2 1 533 93 93 ARG CA C 59.1293 0.2 1 534 93 93 ARG CB C 30.2658 0.2 1 535 93 93 ARG N N 119.873 0.05 1 536 94 94 LEU H H 8.7921 0.005 1 537 94 94 LEU HA H 4.1917 0.005 1 538 94 94 LEU C C 178.5099 0.2 1 539 94 94 LEU CA C 57.8647 0.2 1 540 94 94 LEU CB C 42.0765 0.2 1 541 94 94 LEU N N 121.2883 0.05 1 542 95 95 ALA H H 8.0559 0.005 1 543 95 95 ALA HA H 4.2334 0.005 1 544 95 95 ALA C C 181.1091 0.2 1 545 95 95 ALA CA C 55.441 0.2 1 546 95 95 ALA CB C 17.9397 0.2 1 547 95 95 ALA N N 122.2513 0.05 1 548 96 96 GLN H H 7.9423 0.005 1 549 96 96 GLN HA H 3.9665 0.005 1 550 96 96 GLN C C 176.9361 0.2 1 551 96 96 GLN CA C 58.6017 0.2 1 552 96 96 GLN CB C 29.0495 0.2 1 553 96 96 GLN N N 117.5511 0.05 1 554 97 97 PHE H H 8.1453 0.005 1 555 97 97 PHE HA H 4.5484 0.005 1 556 97 97 PHE C C 176.7395 0.2 1 557 97 97 PHE CA C 60.942 0.2 1 558 97 97 PHE CB C 40.0043 0.2 1 559 97 97 PHE N N 122.4846 0.05 1 560 98 98 VAL H H 8.2449 0.005 1 561 98 98 VAL HA H 4.5713 0.005 1 562 98 98 VAL C C 178.1092 0.2 1 563 98 98 VAL CA C 67.2108 0.2 1 564 98 98 VAL CB C 32.0776 0.2 1 565 98 98 VAL N N 117.9404 0.05 1 566 99 99 GLU H H 7.8588 0.005 1 567 99 99 GLU HA H 4.0913 0.005 1 568 99 99 GLU C C 180.0117 0.2 1 569 99 99 GLU CA C 59.8255 0.2 1 570 99 99 GLU CB C 29.5184 0.2 1 571 99 99 GLU N N 119.4536 0.05 1 572 100 100 HIS H H 8.7681 0.005 1 573 100 100 HIS HA H 4.4565 0.005 1 574 100 100 HIS C C 176.4863 0.2 1 575 100 100 HIS CA C 58.19 0.2 1 576 100 100 HIS CB C 28.7096 0.2 1 577 100 100 HIS N N 118.5534 0.05 1 578 101 101 TRP H H 8.6341 0.005 1 579 101 101 TRP HA H 4.7892 0.005 1 580 101 101 TRP C C 176.9305 0.2 1 581 101 101 TRP CA C 59.4057 0.2 1 582 101 101 TRP CB C 30.3438 0.2 1 583 101 101 TRP N N 122.4633 0.05 1 584 102 102 GLU H H 8.6164 0.005 1 585 102 102 GLU HA H 4.292 0.005 1 586 102 102 GLU C C 179.9422 0.2 1 587 102 102 GLU CA C 59.461 0.2 1 588 102 102 GLU CB C 28.9001 0.2 1 589 102 102 GLU N N 116.3831 0.05 1 590 103 103 LYS H H 8.3583 0.005 1 591 103 103 LYS HA H 4.0878 0.005 1 592 103 103 LYS C C 177.8812 0.2 1 593 103 103 LYS CA C 58.6129 0.2 1 594 103 103 LYS CB C 31.9296 0.2 1 595 103 103 LYS N N 120.8526 0.05 1 596 104 104 LEU H H 8.2721 0.005 1 597 104 104 LEU HA H 3.9224 0.005 1 598 104 104 LEU C C 177.892 0.2 1 599 104 104 LEU CA C 58.6263 0.2 1 600 104 104 LEU CB C 40.6713 0.2 1 601 104 104 LEU N N 120.971 0.05 1 602 105 105 LYS H H 7.6852 0.005 1 603 105 105 LYS HA H 3.5822 0.005 1 604 105 105 LYS C C 179.8893 0.2 1 605 105 105 LYS CA C 60.7718 0.2 1 606 105 105 LYS CB C 31.9262 0.2 1 607 105 105 LYS N N 116.8177 0.05 1 608 106 106 GLU H H 7.9447 0.005 1 609 106 106 GLU HA H 3.9991 0.005 1 610 106 106 GLU C C 179.7394 0.2 1 611 106 106 GLU CA C 59.453 0.2 1 612 106 106 GLU CB C 29.9538 0.2 1 613 106 106 GLU N N 120.0973 0.05 1 614 107 107 LEU H H 9.012 0.005 1 615 107 107 LEU HA H 4.1551 0.005 1 616 107 107 LEU C C 180.3961 0.2 1 617 107 107 LEU CA C 57.6419 0.2 1 618 107 107 LEU CB C 42.21 0.2 1 619 107 107 LEU N N 121.3356 0.05 1 620 108 108 ALA H H 8.8642 0.005 1 621 108 108 ALA HA H 4.008 0.005 1 622 108 108 ALA C C 179.4431 0.2 1 623 108 108 ALA CA C 55.9684 0.2 1 624 108 108 ALA CB C 18.3347 0.2 1 625 108 108 ALA N N 122.0859 0.05 1 626 109 109 LYS H H 7.6284 0.005 1 627 109 109 LYS HA H 4.1886 0.005 1 628 109 109 LYS C C 179.4836 0.2 1 629 109 109 LYS CA C 58.9148 0.2 1 630 109 109 LYS CB C 32.0923 0.2 1 631 109 109 LYS N N 118.5594 0.05 1 632 110 110 ALA H H 8.8035 0.005 1 633 110 110 ALA HA H 4.085 0.005 1 634 110 110 ALA C C 180.1386 0.2 1 635 110 110 ALA CA C 55.2375 0.2 1 636 110 110 ALA CB C 18.5085 0.2 1 637 110 110 ALA N N 121.3693 0.05 1 638 111 111 ARG H H 8.4408 0.005 1 639 111 111 ARG HA H 4.2141 0.005 1 640 111 111 ARG C C 177.8794 0.2 1 641 111 111 ARG CA C 59.1993 0.2 1 642 111 111 ARG CB C 28.7629 0.2 1 643 111 111 ARG N N 119.3425 0.05 1 644 112 112 GLY H H 7.9104 0.005 1 645 112 112 GLY HA2 H 3.9599 0.005 1 646 112 112 GLY HA3 H 3.9599 0.005 1 647 112 112 GLY C C 175.7995 0.2 1 648 112 112 GLY CA C 48.2333 0.2 1 649 112 112 GLY N N 106.1501 0.05 1 650 113 113 LEU H H 7.6752 0.005 1 651 113 113 LEU HA H 4.1434 0.005 1 652 113 113 LEU C C 179.9895 0.2 1 653 113 113 LEU CA C 58.0079 0.2 1 654 113 113 LEU CB C 41.8126 0.2 1 655 113 113 LEU N N 120.8181 0.05 1 656 114 114 LYS H H 7.8107 0.005 1 657 114 114 LYS HA H 3.9767 0.005 1 658 114 114 LYS C C 180.4336 0.2 1 659 114 114 LYS CA C 58.5144 0.2 1 660 114 114 LYS CB C 31.793 0.2 1 661 114 114 LYS N N 119.9977 0.05 1 662 115 115 LEU H H 8.454 0.005 1 663 115 115 LEU HA H 4.0945 0.005 1 664 115 115 LEU C C 178.5123 0.2 1 665 115 115 LEU CA C 58.2682 0.2 1 666 115 115 LEU CB C 42.9196 0.2 1 667 115 115 LEU N N 121.6339 0.05 1 668 116 116 GLU H H 8.0244 0.005 1 669 116 116 GLU HA H 4.0304 0.005 1 670 116 116 GLU C C 179.5771 0.2 1 671 116 116 GLU CA C 60.2729 0.2 1 672 116 116 GLU CB C 29.2982 0.2 1 673 116 116 GLU N N 118.8742 0.05 1 674 117 117 GLU H H 8.1969 0.005 1 675 117 117 GLU HA H 4.0506 0.005 1 676 117 117 GLU C C 179.0414 0.2 1 677 117 117 GLU CA C 59.4469 0.2 1 678 117 117 GLU CB C 29.9175 0.2 1 679 117 117 GLU N N 120.4195 0.05 1 680 118 118 SER H H 8.0259 0.005 1 681 118 118 SER HA H 4.234 0.005 1 682 118 118 SER C C 176.0907 0.2 1 683 118 118 SER CA C 61.2002 0.2 1 684 118 118 SER CB C 63.5312 0.2 1 685 118 118 SER N N 115.9913 0.05 1 686 119 119 LEU H H 8.164 0.005 1 687 119 119 LEU HA H 3.9591 0.005 1 688 119 119 LEU C C 178.043 0.2 1 689 119 119 LEU CA C 58.6379 0.2 1 690 119 119 LEU CB C 41.6163 0.2 1 691 119 119 LEU N N 120.6594 0.05 1 692 120 120 GLU H H 7.8132 0.005 1 693 120 120 GLU HA H 3.9784 0.005 1 694 120 120 GLU C C 178.8466 0.2 1 695 120 120 GLU CA C 59.4824 0.2 1 696 120 120 GLU CB C 29.5188 0.2 1 697 120 120 GLU N N 117.3633 0.05 1 698 121 121 TYR H H 7.9453 0.005 1 699 121 121 TYR HA H 4.3489 0.005 1 700 121 121 TYR C C 177.877 0.2 1 701 121 121 TYR CA C 60.6355 0.2 1 702 121 121 TYR CB C 38.4841 0.2 1 703 121 121 TYR N N 118.7484 0.05 1 704 122 122 LEU H H 8.297 0.005 1 705 122 122 LEU HA H 4.0117 0.005 1 706 122 122 LEU C C 179.1882 0.2 1 707 122 122 LEU CA C 56.9009 0.2 1 708 122 122 LEU CB C 42.5316 0.2 1 709 122 122 LEU N N 118.321 0.05 1 710 123 123 GLN H H 8.202 0.005 1 711 123 123 GLN HA H 4.0603 0.005 1 712 123 123 GLN C C 176.9912 0.2 1 713 123 123 GLN CA C 57.9872 0.2 1 714 123 123 GLN CB C 28.9466 0.2 1 715 123 123 GLN N N 117.7362 0.05 1 716 124 124 PHE H H 7.636 0.005 1 717 124 124 PHE HA H 4.6495 0.005 1 718 124 124 PHE C C 176.087 0.2 1 719 124 124 PHE CA C 58.3808 0.2 1 720 124 124 PHE CB C 39.2981 0.2 1 721 124 124 PHE N N 117.8234 0.05 1 722 125 125 MET H H 7.6767 0.005 1 723 125 125 MET HA H 4.402 0.005 1 724 125 125 MET C C 175.3263 0.2 1 725 125 125 MET CA C 55.4937 0.2 1 726 125 125 MET CB C 32.5634 0.2 1 727 125 125 MET N N 119.571 0.05 1 728 126 126 GLN H H 7.5694 0.005 1 729 126 126 GLN C C 180.5038 0.2 1 730 126 126 GLN CA C 57.6556 0.2 1 731 126 126 GLN CB C 30.4504 0.2 1 732 126 126 GLN N N 125.3864 0.05 1 stop_ save_