data_25263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of the CUS-3 phage coat protein insertion domain. ; _BMRB_accession_number 25263 _BMRB_flat_file_name bmr25263.str _Entry_type original _Submission_date 2014-10-02 _Accession_date 2014-10-02 _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 Tripler Therese N. . 2 Maciejewski Mark W. . 3 Teschke Carolyn M. . 4 Alexandrescu Andrei T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 612 "13C chemical shifts" 461 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-13 update BMRB 'update entry citation' 2015-08-07 original author 'original release' stop_ _Original_release_date 2015-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments for the insertion domain of bacteriophage CUS-3 coat protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25694158 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tripler Therese N. . 2 Maciejewski Mark W. . 3 Teschke Carolyn M. . 4 Alexandrescu Andrei T. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 333 _Page_last 336 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CUS-3id _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CUS-3id, chain 1' $entity 'CUS-3id, chain 2' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CUS-3id _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MASGSTESLTVSGQPEHKVE AKDSNGMPVDNRQGTITVSA SGLQVGDAFTIAGVNSVHQI TKDTTGQPQVFRVLAVSGTT VTISPKILPVENTDVASRPY ANVDAKPAESAAITILNKLE HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . ALA 3 . SER 4 1 GLY 5 2 SER 6 3 THR 7 4 GLU 8 5 SER 9 6 LEU 10 7 THR 11 8 VAL 12 9 SER 13 10 GLY 14 11 GLN 15 12 PRO 16 13 GLU 17 14 HIS 18 15 LYS 19 16 VAL 20 17 GLU 21 18 ALA 22 19 LYS 23 20 ASP 24 21 SER 25 22 ASN 26 23 GLY 27 24 MET 28 25 PRO 29 26 VAL 30 27 ASP 31 28 ASN 32 29 ARG 33 30 GLN 34 31 GLY 35 32 THR 36 33 ILE 37 34 THR 38 35 VAL 39 36 SER 40 37 ALA 41 38 SER 42 39 GLY 43 40 LEU 44 41 GLN 45 42 VAL 46 43 GLY 47 44 ASP 48 45 ALA 49 46 PHE 50 47 THR 51 48 ILE 52 49 ALA 53 50 GLY 54 51 VAL 55 52 ASN 56 53 SER 57 54 VAL 58 55 HIS 59 56 GLN 60 57 ILE 61 58 THR 62 59 LYS 63 60 ASP 64 61 THR 65 62 THR 66 63 GLY 67 64 GLN 68 65 PRO 69 66 GLN 70 67 VAL 71 68 PHE 72 69 ARG 73 70 VAL 74 71 LEU 75 72 ALA 76 73 VAL 77 74 SER 78 75 GLY 79 76 THR 80 77 THR 81 78 VAL 82 79 THR 83 80 ILE 84 81 SER 85 82 PRO 86 83 LYS 87 84 ILE 88 85 LEU 89 86 PRO 90 87 VAL 91 88 GLU 92 89 ASN 93 90 THR 94 91 ASP 95 92 VAL 96 93 ALA 97 94 SER 98 95 ARG 99 96 PRO 100 97 TYR 101 98 ALA 102 99 ASN 103 100 VAL 104 101 ASP 105 102 ALA 106 103 LYS 107 104 PRO 108 105 ALA 109 106 GLU 110 107 SER 111 108 ALA 112 109 ALA 113 110 ILE 114 111 THR 115 112 ILE 116 113 LEU 117 114 ASN 118 115 LYS 119 . LEU 120 . GLU 121 . HIS 122 . HIS 123 . HIS 124 . HIS 125 . HIS 126 . 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 $entity Viruses 38018 Viruses . CUS-3 Bacteriophage stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET-21a 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 $entity 1.9 mM '[U-100% 15N]' $entity 1.9 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.9 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Ccpnmr_analysis _Saveframe_category software _Name Ccpnmr_analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-C13_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-C13 HSQC' _Sample_label $sample_2 save_ save_2D_DQF-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_2 save_ save_2D_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_2 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' 20 . mM pH 6 . pH pressure 1 . atm temperature 273 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal 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 '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D HNCO' '3D HNCACO' '3D HCCH-TOCSY' '3D CCH-TOCSY' '2D 1H-C13 HSQC' '2D DQF-COSY' '2D TOCSY' '2D NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CUS-3id, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 4 GLY H H 8.581 0.008 1 2 1 4 GLY HA2 H 4.032 0.008 2 3 1 4 GLY HA3 H 3.897 0.008 2 4 1 4 GLY C C 172.149 0.16 1 5 1 4 GLY CA C 44.936 0.16 1 6 1 4 GLY N N 110.848 0.055 1 7 2 5 SER H H 8.289 0.008 1 8 2 5 SER HA H 4.629 0.008 1 9 2 5 SER HB2 H 3.950 0.008 2 10 2 5 SER HB3 H 3.952 0.008 2 11 2 5 SER C C 173.068 0.16 1 12 2 5 SER CA C 57.651 0.16 1 13 2 5 SER CB C 63.542 0.16 1 14 2 5 SER N N 115.298 0.055 1 15 3 6 THR H H 8.322 0.008 1 16 3 6 THR HA H 4.415 0.008 1 17 3 6 THR HB H 4.346 0.008 1 18 3 6 THR HG2 H 1.226 0.008 1 19 3 6 THR C C 172.552 0.16 1 20 3 6 THR CA C 61.573 0.16 1 21 3 6 THR CB C 69.043 0.16 1 22 3 6 THR CG2 C 20.827 0.16 1 23 3 6 THR N N 115.320 0.055 1 24 4 7 GLU H H 8.405 0.008 1 25 4 7 GLU HA H 4.413 0.008 1 26 4 7 GLU HB2 H 1.972 0.008 2 27 4 7 GLU HB3 H 1.955 0.008 2 28 4 7 GLU HG2 H 2.323 0.008 2 29 4 7 GLU HG3 H 2.338 0.008 2 30 4 7 GLU C C 174.288 0.16 1 31 4 7 GLU CA C 56.074 0.16 1 32 4 7 GLU CB C 29.918 0.16 1 33 4 7 GLU CG C 35.557 0.16 1 34 4 7 GLU N N 122.674 0.055 1 35 5 8 SER H H 8.305 0.008 1 36 5 8 SER HA H 4.563 0.008 1 37 5 8 SER HB2 H 3.932 0.008 2 38 5 8 SER HB3 H 3.944 0.008 2 39 5 8 SER C C 171.754 0.16 1 40 5 8 SER CA C 57.726 0.16 1 41 5 8 SER CB C 63.382 0.16 1 42 5 8 SER N N 116.754 0.055 1 43 6 9 LEU H H 8.679 0.008 1 44 6 9 LEU HA H 4.360 0.008 1 45 6 9 LEU HB2 H 1.640 0.008 2 46 6 9 LEU HB3 H 1.492 0.008 2 47 6 9 LEU HG H 1.639 0.008 1 48 6 9 LEU HD1 H 0.817 0.008 2 49 6 9 LEU HD2 H 0.788 0.008 2 50 6 9 LEU C C 174.102 0.16 1 51 6 9 LEU CA C 54.706 0.16 1 52 6 9 LEU CB C 43.328 0.16 1 53 6 9 LEU CG C 26.770 0.16 1 54 6 9 LEU CD1 C 24.353 0.16 2 55 6 9 LEU CD2 C 22.905 0.16 2 56 6 9 LEU N N 125.354 0.055 1 57 7 10 THR H H 8.784 0.008 1 58 7 10 THR HA H 5.186 0.008 1 59 7 10 THR HB H 3.760 0.008 1 60 7 10 THR HG2 H 0.998 0.008 1 61 7 10 THR C C 171.243 0.16 1 62 7 10 THR CA C 58.809 0.16 1 63 7 10 THR CB C 72.375 0.16 1 64 7 10 THR CG2 C 20.905 0.16 1 65 7 10 THR N N 114.189 0.055 1 66 8 11 VAL H H 8.716 0.008 1 67 8 11 VAL HA H 4.514 0.008 1 68 8 11 VAL HB H 2.024 0.008 1 69 8 11 VAL HG1 H 0.852 0.008 2 70 8 11 VAL HG2 H 1.081 0.008 2 71 8 11 VAL C C 174.104 0.16 1 72 8 11 VAL CA C 60.793 0.16 1 73 8 11 VAL CB C 33.002 0.16 1 74 8 11 VAL CG1 C 21.647 0.16 2 75 8 11 VAL CG2 C 22.785 0.16 2 76 8 11 VAL N N 117.800 0.055 1 77 9 12 SER H H 8.662 0.008 1 78 9 12 SER HA H 5.033 0.008 1 79 9 12 SER HB2 H 3.734 0.008 2 80 9 12 SER HB3 H 3.525 0.008 2 81 9 12 SER C C 172.982 0.16 1 82 9 12 SER CA C 56.369 0.16 1 83 9 12 SER CB C 63.960 0.16 1 84 9 12 SER N N 125.116 0.055 1 85 10 13 GLY H H 10.150 0.008 1 86 10 13 GLY HA2 H 3.827 0.008 2 87 10 13 GLY HA3 H 3.991 0.008 2 88 10 13 GLY C C 172.590 0.16 1 89 10 13 GLY CA C 45.559 0.16 1 90 10 13 GLY N N 113.190 0.055 1 91 11 14 GLN H H 9.062 0.008 1 92 11 14 GLN HA H 3.914 0.008 1 93 11 14 GLN HB2 H 1.810 0.008 2 94 11 14 GLN HB3 H 1.854 0.008 2 95 11 14 GLN HG2 H 2.068 0.008 2 96 11 14 GLN HG3 H 2.060 0.008 2 97 11 14 GLN HE21 H 6.687 0.008 1 98 11 14 GLN HE22 H 6.856 0.008 1 99 11 14 GLN C C 169.702 0.16 1 100 11 14 GLN CA C 55.461 0.16 1 101 11 14 GLN CB C 29.278 0.16 1 102 11 14 GLN CG C 34.115 0.16 1 103 11 14 GLN N N 115.657 0.055 1 104 11 14 GLN NE2 N 113.170 0.055 1 105 12 15 PRO HA H 4.200 0.008 1 106 12 15 PRO HB2 H 1.341 0.008 1 107 12 15 PRO HB3 H 1.341 0.008 1 108 12 15 PRO HG2 H 1.779 0.008 2 109 12 15 PRO HG3 H 1.783 0.008 2 110 12 15 PRO HD2 H 3.984 0.008 1 111 12 15 PRO HD3 H 3.984 0.008 1 112 12 15 PRO C C 172.373 0.16 1 113 12 15 PRO CA C 62.921 0.16 1 114 12 15 PRO CB C 31.922 0.16 1 115 12 15 PRO CG C 27.457 0.16 1 116 12 15 PRO CD C 49.973 0.16 1 117 13 16 GLU H H 7.256 0.008 1 118 13 16 GLU HA H 4.145 0.008 1 119 13 16 GLU HB2 H 2.034 0.008 2 120 13 16 GLU HB3 H 2.022 0.008 2 121 13 16 GLU HG2 H 2.217 0.008 2 122 13 16 GLU HG3 H 2.220 0.008 2 123 13 16 GLU C C 173.474 0.16 1 124 13 16 GLU CA C 54.488 0.16 1 125 13 16 GLU CB C 32.134 0.16 1 126 13 16 GLU CG C 34.612 0.16 1 127 13 16 GLU N N 111.818 0.055 1 128 14 17 HIS H H 8.822 0.008 1 129 14 17 HIS HA H 5.055 0.008 1 130 14 17 HIS HB2 H 3.428 0.008 2 131 14 17 HIS HB3 H 3.420 0.008 2 132 14 17 HIS HD1 H 7.167 0.008 1 133 14 17 HIS HD2 H 7.167 0.008 1 134 14 17 HIS HE1 H 8.002 0.008 1 135 14 17 HIS HE2 H 8.002 0.008 1 136 14 17 HIS C C 169.571 0.16 1 137 14 17 HIS CA C 55.920 0.16 1 138 14 17 HIS CB C 33.473 0.16 1 139 14 17 HIS N N 124.024 0.055 1 140 15 18 LYS H H 8.484 0.008 1 141 15 18 LYS HA H 4.831 0.008 1 142 15 18 LYS HB2 H 1.691 0.008 1 143 15 18 LYS HB3 H 1.691 0.008 1 144 15 18 LYS HG2 H 1.207 0.008 1 145 15 18 LYS HG3 H 1.207 0.008 1 146 15 18 LYS HD2 H 1.640 0.008 1 147 15 18 LYS HD3 H 1.640 0.008 1 148 15 18 LYS HE2 H 2.971 0.008 1 149 15 18 LYS HE3 H 2.971 0.008 1 150 15 18 LYS C C 173.558 0.16 1 151 15 18 LYS CA C 53.907 0.16 1 152 15 18 LYS CB C 35.320 0.16 1 153 15 18 LYS CG C 23.320 0.16 1 154 15 18 LYS CD C 28.835 0.16 1 155 15 18 LYS CE C 41.539 0.16 1 156 15 18 LYS N N 113.993 0.055 1 157 16 19 VAL H H 8.702 0.008 1 158 16 19 VAL HA H 3.911 0.008 1 159 16 19 VAL HB H 1.763 0.008 1 160 16 19 VAL HG1 H 0.465 0.008 2 161 16 19 VAL HG2 H 0.793 0.008 2 162 16 19 VAL C C 173.523 0.16 1 163 16 19 VAL CA C 62.454 0.16 1 164 16 19 VAL CB C 31.449 0.16 1 165 16 19 VAL CG1 C 20.503 0.16 2 166 16 19 VAL CG2 C 21.260 0.16 2 167 16 19 VAL N N 120.375 0.055 1 168 17 20 GLU H H 8.431 0.008 1 169 17 20 GLU HA H 4.537 0.008 1 170 17 20 GLU HB2 H 1.878 0.008 2 171 17 20 GLU HB3 H 1.851 0.008 2 172 17 20 GLU HG2 H 2.181 0.008 2 173 17 20 GLU HG3 H 2.185 0.008 2 174 17 20 GLU C C 173.275 0.16 1 175 17 20 GLU CA C 54.848 0.16 1 176 17 20 GLU CB C 31.795 0.16 1 177 17 20 GLU CG C 36.251 0.16 1 178 17 20 GLU N N 125.742 0.055 1 179 18 21 ALA H H 8.537 0.008 1 180 18 21 ALA HA H 4.415 0.008 1 181 18 21 ALA HB H 1.401 0.008 1 182 18 21 ALA C C 175.255 0.16 1 183 18 21 ALA CA C 52.508 0.16 1 184 18 21 ALA CB C 19.414 0.16 1 185 18 21 ALA N N 123.043 0.055 1 186 19 22 LYS H H 8.012 0.008 1 187 19 22 LYS HA H 4.879 0.008 1 188 19 22 LYS HB2 H 1.721 0.008 1 189 19 22 LYS HB3 H 1.721 0.008 1 190 19 22 LYS HG2 H 1.392 0.008 1 191 19 22 LYS HG3 H 1.392 0.008 1 192 19 22 LYS HD2 H 1.580 0.008 1 193 19 22 LYS HD3 H 1.580 0.008 1 194 19 22 LYS HE2 H 2.995 0.008 1 195 19 22 LYS HE3 H 2.995 0.008 1 196 19 22 LYS C C 173.727 0.16 1 197 19 22 LYS CA C 54.467 0.16 1 198 19 22 LYS CB C 35.321 0.16 1 199 19 22 LYS CG C 24.206 0.16 1 200 19 22 LYS CD C 28.648 0.16 1 201 19 22 LYS CE C 41.435 0.16 1 202 19 22 LYS N N 117.064 0.055 1 203 20 23 ASP H H 8.679 0.008 1 204 20 23 ASP HA H 4.726 0.008 1 205 20 23 ASP HB2 H 3.243 0.008 2 206 20 23 ASP HB3 H 3.259 0.008 2 207 20 23 ASP C C 176.403 0.16 1 208 20 23 ASP CA C 52.203 0.16 1 209 20 23 ASP CB C 40.947 0.16 1 210 20 23 ASP N N 121.408 0.055 1 211 21 24 SER H H 8.486 0.008 1 212 21 24 SER HA H 4.283 0.008 1 213 21 24 SER HB2 H 3.960 0.008 1 214 21 24 SER HB3 H 3.960 0.008 1 215 21 24 SER C C 173.082 0.16 1 216 21 24 SER CA C 60.216 0.16 1 217 21 24 SER CB C 62.516 0.16 1 218 21 24 SER N N 113.799 0.055 1 219 22 25 ASN H H 8.381 0.008 1 220 22 25 ASN HA H 4.956 0.008 1 221 22 25 ASN HB2 H 2.876 0.008 2 222 22 25 ASN HB3 H 2.880 0.008 2 223 22 25 ASN HD21 H 7.032 0.008 1 224 22 25 ASN HD22 H 7.617 0.008 1 225 22 25 ASN C C 173.414 0.16 1 226 22 25 ASN CA C 52.672 0.16 1 227 22 25 ASN CB C 38.918 0.16 1 228 22 25 ASN N N 118.927 0.055 1 229 22 25 ASN ND2 N 111.191 0.055 1 230 23 26 GLY H H 8.274 0.008 1 231 23 26 GLY HA2 H 4.472 0.008 1 232 23 26 GLY HA3 H 4.472 0.008 1 233 23 26 GLY C C 172.016 0.16 1 234 23 26 GLY CA C 45.365 0.16 1 235 23 26 GLY N N 107.879 0.055 1 236 24 27 MET H H 8.370 0.008 1 237 24 27 MET HA H 4.970 0.008 1 238 24 27 MET HB2 H 2.280 0.008 2 239 24 27 MET HB3 H 2.288 0.008 2 240 24 27 MET HG2 H 2.493 0.008 2 241 24 27 MET HG3 H 2.485 0.008 2 242 24 27 MET C C 171.949 0.16 1 243 24 27 MET CA C 52.268 0.16 1 244 24 27 MET CB C 30.956 0.16 1 245 24 27 MET CG C 31.892 0.16 1 246 24 27 MET N N 121.310 0.055 1 247 25 28 PRO HA H 4.590 0.008 1 248 25 28 PRO HB2 H 2.247 0.008 2 249 25 28 PRO HB3 H 2.244 0.008 2 250 25 28 PRO HG2 H 1.941 0.008 1 251 25 28 PRO HG3 H 1.941 0.008 1 252 25 28 PRO HD2 H 3.733 0.008 1 253 25 28 PRO HD3 H 3.733 0.008 1 254 25 28 PRO C C 174.892 0.16 1 255 25 28 PRO CA C 62.780 0.16 1 256 25 28 PRO CB C 31.677 0.16 1 257 25 28 PRO CG C 27.354 0.16 1 258 25 28 PRO CD C 50.125 0.16 1 259 26 29 VAL H H 7.865 0.008 1 260 26 29 VAL HA H 4.134 0.008 1 261 26 29 VAL HB H 1.874 0.008 1 262 26 29 VAL HG1 H 0.843 0.008 2 263 26 29 VAL HG2 H 0.896 0.008 2 264 26 29 VAL C C 173.086 0.16 1 265 26 29 VAL CA C 61.038 0.16 1 266 26 29 VAL CB C 33.375 0.16 1 267 26 29 VAL CG1 C 20.741 0.16 2 268 26 29 VAL CG2 C 21.696 0.16 2 269 26 29 VAL N N 122.197 0.055 1 270 27 30 ASP H H 8.682 0.008 1 271 27 30 ASP HA H 4.762 0.008 1 272 27 30 ASP HB2 H 2.755 0.008 2 273 27 30 ASP HB3 H 2.767 0.008 2 274 27 30 ASP C C 174.295 0.16 1 275 27 30 ASP CA C 52.787 0.16 1 276 27 30 ASP CB C 40.608 0.16 1 277 27 30 ASP N N 125.447 0.055 1 278 28 31 ASN H H 8.616 0.008 1 279 28 31 ASN HA H 4.685 0.008 1 280 28 31 ASN HB2 H 2.894 0.008 1 281 28 31 ASN HB3 H 2.894 0.008 1 282 28 31 ASN HD21 H 7.787 0.008 1 283 28 31 ASN HD22 H 7.911 0.008 1 284 28 31 ASN C C 172.847 0.16 1 285 28 31 ASN CA C 54.099 0.16 1 286 28 31 ASN CB C 38.426 0.16 1 287 28 31 ASN N N 120.731 0.055 1 288 28 31 ASN ND2 N 110.895 0.055 1 289 29 32 ARG H H 8.401 0.008 1 290 29 32 ARG HA H 4.338 0.008 1 291 29 32 ARG HB2 H 1.943 0.008 1 292 29 32 ARG HB3 H 1.943 0.008 1 293 29 32 ARG HG2 H 1.663 0.008 1 294 29 32 ARG HG3 H 1.663 0.008 1 295 29 32 ARG HD2 H 3.259 0.008 1 296 29 32 ARG HD3 H 3.259 0.008 1 297 29 32 ARG C C 173.165 0.16 1 298 29 32 ARG CA C 57.040 0.16 1 299 29 32 ARG CB C 30.105 0.16 1 300 29 32 ARG CG C 26.466 0.16 1 301 29 32 ARG CD C 42.751 0.16 1 302 29 32 ARG N N 120.815 0.055 1 303 30 33 GLN H H 7.491 0.008 1 304 30 33 GLN HA H 5.708 0.008 1 305 30 33 GLN HB2 H 1.757 0.008 2 306 30 33 GLN HB3 H 1.746 0.008 2 307 30 33 GLN HG2 H 2.111 0.008 2 308 30 33 GLN HG3 H 2.139 0.008 2 309 30 33 GLN HE21 H 6.619 0.008 1 310 30 33 GLN HE22 H 7.427 0.008 1 311 30 33 GLN C C 171.906 0.16 1 312 30 33 GLN CA C 52.802 0.16 1 313 30 33 GLN CB C 32.050 0.16 1 314 30 33 GLN CG C 33.026 0.16 1 315 30 33 GLN N N 112.820 0.055 1 316 30 33 GLN NE2 N 110.540 0.055 1 317 31 34 GLY H H 8.581 0.008 1 318 31 34 GLY HA2 H 3.908 0.008 2 319 31 34 GLY HA3 H 4.042 0.008 2 320 31 34 GLY C C 169.545 0.16 1 321 31 34 GLY CA C 43.299 0.16 1 322 31 34 GLY N N 105.834 0.055 1 323 32 35 THR H H 8.393 0.008 1 324 32 35 THR HA H 5.727 0.008 1 325 32 35 THR HB H 4.029 0.008 1 326 32 35 THR C C 174.249 0.16 1 327 32 35 THR CA C 60.375 0.16 1 328 32 35 THR CB C 70.908 0.16 1 329 32 35 THR CG2 C 21.523 0.16 1 330 32 35 THR N N 111.476 0.055 1 331 33 36 ILE H H 9.344 0.008 1 332 33 36 ILE HA H 4.802 0.008 1 333 33 36 ILE HB H 2.046 0.008 1 334 33 36 ILE HG12 H 1.411 0.008 2 335 33 36 ILE HG13 H 1.403 0.008 2 336 33 36 ILE HG2 H 0.925 0.008 1 337 33 36 ILE HD1 H 0.734 0.008 1 338 33 36 ILE C C 171.098 0.16 1 339 33 36 ILE CA C 59.785 0.16 1 340 33 36 ILE CB C 42.242 0.16 1 341 33 36 ILE CG1 C 25.157 0.16 1 342 33 36 ILE CG2 C 18.349 0.16 1 343 33 36 ILE CD1 C 13.266 0.16 1 344 33 36 ILE N N 118.025 0.055 1 345 34 37 THR H H 9.916 0.008 1 346 34 37 THR HA H 5.307 0.008 1 347 34 37 THR HB H 3.985 0.008 1 348 34 37 THR HG2 H 1.248 0.008 1 349 34 37 THR C C 172.084 0.16 1 350 34 37 THR CA C 61.209 0.16 1 351 34 37 THR CB C 70.008 0.16 1 352 34 37 THR CG2 C 21.263 0.16 1 353 34 37 THR N N 119.270 0.055 1 354 35 38 VAL H H 8.614 0.008 1 355 35 38 VAL HA H 5.286 0.008 1 356 35 38 VAL HB H 2.227 0.008 1 357 35 38 VAL HG1 H 0.759 0.008 2 358 35 38 VAL HG2 H 0.933 0.008 2 359 35 38 VAL C C 175.031 0.16 1 360 35 38 VAL CA C 58.499 0.16 1 361 35 38 VAL CB C 34.154 0.16 1 362 35 38 VAL CG2 C 21.630 0.16 1 363 35 38 VAL N N 117.412 0.055 1 364 36 39 SER H H 8.742 0.008 1 365 36 39 SER HA H 3.966 0.008 1 366 36 39 SER HB2 H 3.926 0.008 1 367 36 39 SER HB3 H 3.926 0.008 1 368 36 39 SER C C 172.536 0.16 1 369 36 39 SER CA C 60.119 0.16 1 370 36 39 SER CB C 62.954 0.16 1 371 36 39 SER N N 112.706 0.055 1 372 37 40 ALA H H 7.365 0.008 1 373 37 40 ALA HA H 4.467 0.008 1 374 37 40 ALA HB H 1.404 0.008 1 375 37 40 ALA C C 173.155 0.16 1 376 37 40 ALA CA C 50.757 0.16 1 377 37 40 ALA CB C 21.667 0.16 1 378 37 40 ALA N N 121.280 0.055 1 379 38 41 SER H H 8.169 0.008 1 380 38 41 SER HA H 4.579 0.008 1 381 38 41 SER HB2 H 3.964 0.008 2 382 38 41 SER HB3 H 3.932 0.008 2 383 38 41 SER C C 171.520 0.16 1 384 38 41 SER CA C 58.247 0.16 1 385 38 41 SER CB C 63.136 0.16 1 386 38 41 SER N N 112.431 0.055 1 387 39 42 GLY H H 8.723 0.008 1 388 39 42 GLY HA2 H 3.593 0.008 1 389 39 42 GLY HA3 H 3.593 0.008 1 390 39 42 GLY C C 172.900 0.16 1 391 39 42 GLY CA C 45.614 0.16 1 392 39 42 GLY N N 108.700 0.055 1 393 40 43 LEU H H 8.754 0.008 1 394 40 43 LEU HA H 4.444 0.008 1 395 40 43 LEU HB2 H 1.739 0.008 1 396 40 43 LEU HB3 H 1.739 0.008 1 397 40 43 LEU HG H 1.479 0.008 1 398 40 43 LEU HD1 H 0.631 0.008 2 399 40 43 LEU HD2 H 0.444 0.008 2 400 40 43 LEU C C 174.169 0.16 1 401 40 43 LEU CA C 55.306 0.16 1 402 40 43 LEU CB C 42.296 0.16 1 403 40 43 LEU CG C 26.837 0.16 1 404 40 43 LEU CD1 C 22.837 0.16 2 405 40 43 LEU CD2 C 25.641 0.16 2 406 40 43 LEU N N 122.492 0.055 1 407 41 44 GLN H H 9.097 0.008 1 408 41 44 GLN HA H 4.699 0.008 1 409 41 44 GLN HB2 H 2.071 0.008 2 410 41 44 GLN HB3 H 2.096 0.008 2 411 41 44 GLN HG2 H 2.344 0.008 2 412 41 44 GLN HG3 H 2.382 0.008 2 413 41 44 GLN HE21 H 6.789 0.008 1 414 41 44 GLN HE22 H 7.602 0.008 1 415 41 44 GLN C C 173.386 0.16 1 416 41 44 GLN CA C 52.948 0.16 1 417 41 44 GLN CB C 31.957 0.16 1 418 41 44 GLN CG C 33.217 0.16 1 419 41 44 GLN N N 119.367 0.055 1 420 41 44 GLN NE2 N 112.236 0.055 1 421 42 45 VAL H H 8.602 0.008 1 422 42 45 VAL HA H 3.204 0.008 1 423 42 45 VAL HB H 1.911 0.008 1 424 42 45 VAL HG2 H 1.063 0.008 1 425 42 45 VAL C C 175.386 0.16 1 426 42 45 VAL CA C 65.814 0.16 1 427 42 45 VAL CB C 30.813 0.16 1 428 42 45 VAL CG1 C 20.657 0.16 2 429 42 45 VAL CG2 C 22.576 0.16 2 430 42 45 VAL N N 121.229 0.055 1 431 43 46 GLY H H 8.804 0.008 1 432 43 46 GLY HA2 H 4.341 0.008 1 433 43 46 GLY HA3 H 4.341 0.008 1 434 43 46 GLY C C 173.006 0.16 1 435 43 46 GLY CA C 44.330 0.16 1 436 43 46 GLY N N 116.232 0.055 1 437 44 47 ASP H H 8.459 0.008 1 438 44 47 ASP HA H 4.673 0.008 1 439 44 47 ASP HB2 H 2.532 0.008 2 440 44 47 ASP HB3 H 2.967 0.008 2 441 44 47 ASP C C 174.100 0.16 1 442 44 47 ASP CA C 55.475 0.16 1 443 44 47 ASP CB C 41.406 0.16 1 444 44 47 ASP N N 122.891 0.055 1 445 45 48 ALA H H 8.843 0.008 1 446 45 48 ALA HA H 5.766 0.008 1 447 45 48 ALA HB H 1.317 0.008 1 448 45 48 ALA C C 174.422 0.16 1 449 45 48 ALA CA C 49.163 0.16 1 450 45 48 ALA CB C 20.948 0.16 1 451 45 48 ALA N N 123.105 0.055 1 452 46 49 PHE H H 9.520 0.008 1 453 46 49 PHE HA H 5.899 0.008 1 454 46 49 PHE HB2 H 2.778 0.008 2 455 46 49 PHE HB3 H 2.806 0.008 2 456 46 49 PHE HD1 H 6.997 0.008 3 457 46 49 PHE HD2 H 6.997 0.008 3 458 46 49 PHE HE1 H 6.822 0.008 3 459 46 49 PHE HE2 H 6.822 0.008 3 460 46 49 PHE HZ H 6.908 0.008 1 461 46 49 PHE C C 170.156 0.16 1 462 46 49 PHE CA C 55.455 0.16 1 463 46 49 PHE CB C 42.726 0.16 1 464 46 49 PHE N N 117.929 0.055 1 465 47 50 THR H H 9.192 0.008 1 466 47 50 THR HA H 5.092 0.008 1 467 47 50 THR HB H 4.506 0.008 1 468 47 50 THR C C 171.313 0.16 1 469 47 50 THR CA C 58.787 0.16 1 470 47 50 THR CB C 70.932 0.16 1 471 47 50 THR CG2 C 21.344 0.16 1 472 47 50 THR N N 108.998 0.055 1 473 48 51 ILE H H 10.983 0.008 1 474 48 51 ILE HA H 4.624 0.008 1 475 48 51 ILE HB H 1.660 0.008 1 476 48 51 ILE HG12 H 0.929 0.008 2 477 48 51 ILE HG13 H 0.878 0.008 2 478 48 51 ILE HG2 H 0.979 0.008 1 479 48 51 ILE HD1 H 0.574 0.008 1 480 48 51 ILE C C 173.958 0.16 1 481 48 51 ILE CA C 60.015 0.16 1 482 48 51 ILE CB C 40.234 0.16 1 483 48 51 ILE CG1 C 26.766 0.16 1 484 48 51 ILE CG2 C 18.673 0.16 1 485 48 51 ILE CD1 C 13.339 0.16 1 486 48 51 ILE N N 122.678 0.055 1 487 49 52 ALA H H 8.672 0.008 1 488 49 52 ALA HA H 4.127 0.008 1 489 49 52 ALA HB H 1.508 0.008 1 490 49 52 ALA C C 176.283 0.16 1 491 49 52 ALA CA C 53.555 0.16 1 492 49 52 ALA CB C 18.779 0.16 1 493 49 52 ALA N N 130.176 0.055 1 494 50 53 GLY H H 8.464 0.008 1 495 50 53 GLY HA2 H 4.490 0.008 2 496 50 53 GLY HA3 H 4.533 0.008 2 497 50 53 GLY C C 172.056 0.16 1 498 50 53 GLY CA C 45.638 0.16 1 499 50 53 GLY N N 108.375 0.055 1 500 51 54 VAL H H 7.852 0.008 1 501 51 54 VAL HA H 4.594 0.008 1 502 51 54 VAL HB H 2.503 0.008 1 503 51 54 VAL HG1 H 1.214 0.008 2 504 51 54 VAL HG2 H 0.794 0.008 2 505 51 54 VAL C C 173.030 0.16 1 506 51 54 VAL CA C 61.655 0.16 1 507 51 54 VAL CB C 31.157 0.16 1 508 51 54 VAL CG1 C 19.972 0.16 2 509 51 54 VAL CG2 C 20.579 0.16 2 510 51 54 VAL N N 122.762 0.055 1 511 52 55 ASN H H 9.581 0.008 1 512 52 55 ASN HA H 5.406 0.008 1 513 52 55 ASN HB2 H 2.669 0.008 1 514 52 55 ASN HB3 H 2.669 0.008 1 515 52 55 ASN HD21 H 6.506 0.008 1 516 52 55 ASN HD22 H 7.853 0.008 1 517 52 55 ASN C C 173.020 0.16 1 518 52 55 ASN CA C 51.647 0.16 1 519 52 55 ASN CB C 39.734 0.16 1 520 52 55 ASN N N 128.010 0.055 1 521 52 55 ASN ND2 N 112.911 0.055 1 522 53 56 SER H H 8.552 0.008 1 523 53 56 SER HA H 4.927 0.008 1 524 53 56 SER HB2 H 3.939 0.008 2 525 53 56 SER HB3 H 3.965 0.008 2 526 53 56 SER C C 172.588 0.16 1 527 53 56 SER CA C 57.849 0.16 1 528 53 56 SER CB C 64.329 0.16 1 529 53 56 SER N N 113.734 0.055 1 530 54 57 VAL H H 7.177 0.008 1 531 54 57 VAL HA H 5.023 0.008 1 532 54 57 VAL HB H 1.674 0.008 1 533 54 57 VAL HG1 H 0.611 0.008 2 534 54 57 VAL HG2 H 0.347 0.008 2 535 54 57 VAL C C 173.867 0.16 1 536 54 57 VAL CA C 57.842 0.16 1 537 54 57 VAL CB C 33.781 0.16 1 538 54 57 VAL CG1 C 20.118 0.16 2 539 54 57 VAL CG2 C 17.089 0.16 2 540 54 57 VAL N N 110.904 0.055 1 541 55 58 HIS H H 8.740 0.008 1 542 55 58 HIS HA H 4.260 0.008 1 543 55 58 HIS HB2 H 3.423 0.008 2 544 55 58 HIS HB3 H 3.406 0.008 2 545 55 58 HIS HD1 H 7.244 0.008 1 546 55 58 HIS HD2 H 7.240 0.008 1 547 55 58 HIS HE1 H 8.487 0.008 1 548 55 58 HIS HE2 H 8.387 0.008 1 549 55 58 HIS C C 175.611 0.16 1 550 55 58 HIS CA C 57.296 0.16 1 551 55 58 HIS CB C 30.362 0.16 1 552 55 58 HIS N N 122.508 0.055 1 553 56 59 GLN H H 8.783 0.008 1 554 56 59 GLN HA H 4.075 0.008 1 555 56 59 GLN HB2 H 2.137 0.008 1 556 56 59 GLN HB3 H 2.137 0.008 1 557 56 59 GLN HG2 H 2.500 0.008 2 558 56 59 GLN HG3 H 2.503 0.008 2 559 56 59 GLN HE21 H 6.821 0.008 1 560 56 59 GLN HE22 H 7.610 0.008 1 561 56 59 GLN C C 175.255 0.16 1 562 56 59 GLN CA C 58.686 0.16 1 563 56 59 GLN CB C 28.737 0.16 1 564 56 59 GLN CG C 33.305 0.16 1 565 56 59 GLN N N 124.414 0.055 1 566 56 59 GLN NE2 N 111.633 0.055 1 567 57 60 ILE H H 9.172 0.008 1 568 57 60 ILE HA H 4.205 0.008 1 569 57 60 ILE HB H 2.228 0.008 1 570 57 60 ILE HG12 H 1.374 0.008 2 571 57 60 ILE HG13 H 1.384 0.008 2 572 57 60 ILE HG2 H 0.986 0.008 1 573 57 60 ILE HD1 H 0.948 0.008 1 574 57 60 ILE C C 176.045 0.16 1 575 57 60 ILE CA C 62.486 0.16 1 576 57 60 ILE CB C 37.504 0.16 1 577 57 60 ILE CG1 C 26.992 0.16 1 578 57 60 ILE CG2 C 16.744 0.16 1 579 57 60 ILE CD1 C 10.990 0.16 1 580 57 60 ILE N N 117.869 0.055 1 581 58 61 THR H H 8.297 0.008 1 582 58 61 THR HA H 4.099 0.008 1 583 58 61 THR HB H 4.291 0.008 1 584 58 61 THR HG2 H 1.159 0.008 1 585 58 61 THR C C 173.954 0.16 1 586 58 61 THR CA C 62.528 0.16 1 587 58 61 THR CB C 69.029 0.16 1 588 58 61 THR CG2 C 20.436 0.16 1 589 58 61 THR N N 109.967 0.055 1 590 59 62 LYS H H 7.935 0.008 1 591 59 62 LYS HA H 3.964 0.008 1 592 59 62 LYS HB2 H 1.980 0.008 2 593 59 62 LYS HB3 H 2.303 0.008 2 594 59 62 LYS HG2 H 1.523 0.008 1 595 59 62 LYS HG3 H 1.523 0.008 1 596 59 62 LYS HD2 H 1.778 0.008 1 597 59 62 LYS HD3 H 1.778 0.008 1 598 59 62 LYS HE2 H 2.972 0.008 1 599 59 62 LYS HE3 H 2.972 0.008 1 600 59 62 LYS C C 172.662 0.16 1 601 59 62 LYS CA C 55.909 0.16 1 602 59 62 LYS CB C 28.591 0.16 1 603 59 62 LYS CG C 23.709 0.16 1 604 59 62 LYS CD C 27.600 0.16 1 605 59 62 LYS CE C 42.640 0.16 1 606 59 62 LYS N N 112.062 0.055 1 607 60 63 ASP H H 8.065 0.008 1 608 60 63 ASP HA H 4.756 0.008 1 609 60 63 ASP HB2 H 2.542 0.008 1 610 60 63 ASP HB3 H 2.542 0.008 1 611 60 63 ASP C C 175.051 0.16 1 612 60 63 ASP CA C 53.133 0.16 1 613 60 63 ASP CB C 40.683 0.16 1 614 60 63 ASP N N 117.089 0.055 1 615 61 64 THR H H 8.644 0.008 1 616 61 64 THR HA H 4.486 0.008 1 617 61 64 THR HB H 4.032 0.008 1 618 61 64 THR HG2 H 1.095 0.008 1 619 61 64 THR C C 172.537 0.16 1 620 61 64 THR CA C 61.681 0.16 1 621 61 64 THR CB C 68.591 0.16 1 622 61 64 THR CG2 C 20.897 0.16 1 623 61 64 THR N N 115.682 0.055 1 624 62 65 THR H H 8.511 0.008 1 625 62 65 THR HA H 4.569 0.008 1 626 62 65 THR HB H 4.325 0.008 1 627 62 65 THR HG2 H 1.226 0.008 1 628 62 65 THR C C 175.107 0.16 1 629 62 65 THR CA C 61.560 0.16 1 630 62 65 THR CB C 69.973 0.16 1 631 62 65 THR CG2 C 19.970 0.16 1 632 62 65 THR N N 115.071 0.055 1 633 63 66 GLY H H 8.705 0.008 1 634 63 66 GLY HA2 H 3.780 0.008 2 635 63 66 GLY HA3 H 3.910 0.008 2 636 63 66 GLY C C 170.651 0.16 1 637 63 66 GLY CA C 44.995 0.16 1 638 63 66 GLY N N 109.881 0.055 1 639 64 67 GLN H H 8.154 0.008 1 640 64 67 GLN HA H 4.888 0.008 1 641 64 67 GLN HB2 H 2.019 0.008 1 642 64 67 GLN HB3 H 2.019 0.008 1 643 64 67 GLN HG2 H 2.322 0.008 1 644 64 67 GLN HG3 H 2.322 0.008 1 645 64 67 GLN HE21 H 6.843 0.008 1 646 64 67 GLN HE22 H 7.481 0.008 1 647 64 67 GLN C C 170.592 0.16 1 648 64 67 GLN CA C 51.459 0.16 1 649 64 67 GLN CB C 29.434 0.16 1 650 64 67 GLN CG C 32.444 0.16 1 651 64 67 GLN N N 119.182 0.055 1 652 64 67 GLN NE2 N 112.268 0.055 1 653 65 68 PRO HA H 4.587 0.008 1 654 65 68 PRO HB2 H 1.892 0.008 1 655 65 68 PRO HB3 H 1.892 0.008 1 656 65 68 PRO HD2 H 3.981 0.008 2 657 65 68 PRO HD3 H 3.964 0.008 2 658 65 68 PRO C C 175.756 0.16 1 659 65 68 PRO CA C 62.490 0.16 1 660 65 68 PRO CB C 32.013 0.16 1 661 65 68 PRO CG C 27.309 0.16 1 662 65 68 PRO CD C 50.139 0.16 1 663 66 69 GLN H H 8.073 0.008 1 664 66 69 GLN HA H 3.990 0.008 1 665 66 69 GLN HB2 H 1.765 0.008 1 666 66 69 GLN HB3 H 1.765 0.008 1 667 66 69 GLN HG2 H 1.770 0.008 1 668 66 69 GLN HG3 H 1.770 0.008 1 669 66 69 GLN HE21 H 6.946 0.008 1 670 66 69 GLN HE22 H 7.928 0.008 1 671 66 69 GLN C C 171.988 0.16 1 672 66 69 GLN CA C 54.168 0.16 1 673 66 69 GLN CB C 28.307 0.16 1 674 66 69 GLN CG C 32.400 0.16 1 675 66 69 GLN N N 124.341 0.055 1 676 66 69 GLN NE2 N 112.077 0.055 1 677 67 70 VAL H H 8.046 0.008 1 678 67 70 VAL HA H 4.304 0.008 1 679 67 70 VAL HB H 1.752 0.008 1 680 67 70 VAL HG2 H 0.465 0.008 1 681 67 70 VAL C C 173.700 0.16 1 682 67 70 VAL CA C 62.095 0.16 1 683 67 70 VAL CB C 31.530 0.16 1 684 67 70 VAL CG1 C 20.483 0.16 2 685 67 70 VAL CG2 C 21.255 0.16 2 686 67 70 VAL N N 126.903 0.055 1 687 68 71 PHE H H 9.182 0.008 1 688 68 71 PHE HA H 5.055 0.008 1 689 68 71 PHE HB3 H 2.269 0.008 1 690 68 71 PHE HD1 H 7.026 0.008 3 691 68 71 PHE HD2 H 7.026 0.008 3 692 68 71 PHE HE1 H 7.186 0.008 3 693 68 71 PHE HE2 H 7.186 0.008 3 694 68 71 PHE HZ H 6.759 0.008 1 695 68 71 PHE C C 171.983 0.16 1 696 68 71 PHE CA C 56.087 0.16 1 697 68 71 PHE CB C 42.203 0.16 1 698 68 71 PHE N N 128.903 0.055 1 699 69 72 ARG H H 9.010 0.008 1 700 69 72 ARG HA H 5.505 0.008 1 701 69 72 ARG HB2 H 1.751 0.008 1 702 69 72 ARG HB3 H 1.751 0.008 1 703 69 72 ARG HG2 H 1.668 0.008 1 704 69 72 ARG HG3 H 1.668 0.008 1 705 69 72 ARG HD2 H 3.214 0.008 1 706 69 72 ARG HD3 H 3.214 0.008 1 707 69 72 ARG C C 174.368 0.16 1 708 69 72 ARG CA C 53.100 0.16 1 709 69 72 ARG CB C 32.877 0.16 1 710 69 72 ARG CG C 27.126 0.16 1 711 69 72 ARG CD C 41.931 0.16 1 712 69 72 ARG N N 117.709 0.055 1 713 70 73 VAL H H 8.711 0.008 1 714 70 73 VAL HA H 4.227 0.008 1 715 70 73 VAL HB H 2.429 0.008 1 716 70 73 VAL HG1 H 0.761 0.008 2 717 70 73 VAL HG2 H 1.221 0.008 2 718 70 73 VAL C C 174.971 0.16 1 719 70 73 VAL CA C 62.507 0.16 1 720 70 73 VAL CB C 31.542 0.16 1 721 70 73 VAL CG1 C 22.797 0.16 2 722 70 73 VAL CG2 C 23.438 0.16 2 723 70 73 VAL N N 121.141 0.055 1 724 71 74 LEU H H 9.510 0.008 1 725 71 74 LEU HA H 4.354 0.008 1 726 71 74 LEU HB2 H 1.644 0.008 1 727 71 74 LEU HB3 H 1.644 0.008 1 728 71 74 LEU HG H 1.568 0.008 1 729 71 74 LEU HD1 H 0.759 0.008 2 730 71 74 LEU HD2 H 0.766 0.008 2 731 71 74 LEU C C 174.744 0.16 1 732 71 74 LEU CA C 54.982 0.16 1 733 71 74 LEU CB C 42.749 0.16 1 734 71 74 LEU CG C 26.750 0.16 1 735 71 74 LEU CD1 C 24.386 0.16 2 736 71 74 LEU CD2 C 22.934 0.16 2 737 71 74 LEU N N 130.160 0.055 1 738 72 75 ALA H H 7.814 0.008 1 739 72 75 ALA HA H 4.466 0.008 1 740 72 75 ALA HB H 1.345 0.008 1 741 72 75 ALA C C 172.275 0.16 1 742 72 75 ALA CA C 51.864 0.16 1 743 72 75 ALA CB C 20.392 0.16 1 744 72 75 ALA N N 118.816 0.055 1 745 73 76 VAL H H 8.653 0.008 1 746 73 76 VAL HA H 4.600 0.008 1 747 73 76 VAL HB H 2.000 0.008 1 748 73 76 VAL HG1 H 0.892 0.008 2 749 73 76 VAL HG2 H 0.923 0.008 2 750 73 76 VAL C C 172.306 0.16 1 751 73 76 VAL CA C 61.240 0.16 1 752 73 76 VAL CB C 35.011 0.16 1 753 73 76 VAL CG1 C 20.571 0.16 2 754 73 76 VAL CG2 C 20.938 0.16 2 755 73 76 VAL N N 118.278 0.055 1 756 74 77 SER H H 8.387 0.008 1 757 74 77 SER HA H 4.610 0.008 1 758 74 77 SER HB2 H 3.978 0.008 2 759 74 77 SER HB3 H 4.012 0.008 2 760 74 77 SER C C 172.799 0.16 1 761 74 77 SER CA C 56.021 0.16 1 762 74 77 SER CB C 62.883 0.16 1 763 74 77 SER N N 122.326 0.055 1 764 75 78 GLY H H 9.203 0.008 1 765 75 78 GLY HA3 H 4.209 0.008 1 766 75 78 GLY C C 172.765 0.16 1 767 75 78 GLY CA C 46.997 0.16 1 768 75 78 GLY N N 118.362 0.055 1 769 76 79 THR H H 8.503 0.008 1 770 76 79 THR HA H 4.079 0.008 1 771 76 79 THR HB H 5.091 0.008 1 772 76 79 THR C C 171.390 0.16 1 773 76 79 THR CA C 61.015 0.16 1 774 76 79 THR CB C 67.819 0.16 1 775 76 79 THR CG2 C 20.537 0.16 1 776 76 79 THR N N 116.527 0.055 1 777 77 80 THR H H 8.328 0.008 1 778 77 80 THR HA H 4.913 0.008 1 779 77 80 THR HB H 4.383 0.008 1 780 77 80 THR C C 172.050 0.16 1 781 77 80 THR CA C 62.377 0.16 1 782 77 80 THR CB C 68.523 0.16 1 783 77 80 THR CG2 C 20.935 0.16 1 784 77 80 THR N N 118.369 0.055 1 785 78 81 VAL H H 9.486 0.008 1 786 78 81 VAL HA H 4.545 0.008 1 787 78 81 VAL HB H 1.913 0.008 1 788 78 81 VAL HG2 H 1.015 0.008 1 789 78 81 VAL C C 172.729 0.16 1 790 78 81 VAL CA C 60.552 0.16 1 791 78 81 VAL CB C 34.118 0.16 1 792 78 81 VAL CG1 C 21.480 0.16 2 793 78 81 VAL CG2 C 23.012 0.16 2 794 78 81 VAL N N 129.307 0.055 1 795 79 82 THR H H 9.055 0.008 1 796 79 82 THR HA H 4.867 0.008 1 797 79 82 THR HB H 4.346 0.008 1 798 79 82 THR C C 172.252 0.16 1 799 79 82 THR CA C 62.075 0.16 1 800 79 82 THR CB C 67.947 0.16 1 801 79 82 THR CG2 C 20.987 0.16 1 802 79 82 THR N N 124.448 0.055 1 803 80 83 ILE H H 9.505 0.008 1 804 80 83 ILE HA H 5.913 0.008 1 805 80 83 ILE HB H 1.968 0.008 1 806 80 83 ILE HG12 H 1.685 0.008 1 807 80 83 ILE HG2 H 1.065 0.008 1 808 80 83 ILE HD1 H 0.654 0.008 1 809 80 83 ILE C C 171.620 0.16 1 810 80 83 ILE CA C 58.363 0.16 1 811 80 83 ILE CB C 42.732 0.16 1 812 80 83 ILE CG1 C 23.398 0.16 1 813 80 83 ILE CG2 C 18.008 0.16 1 814 80 83 ILE CD1 C 14.222 0.16 1 815 80 83 ILE N N 122.260 0.055 1 816 81 84 SER H H 8.431 0.008 1 817 81 84 SER HA H 5.143 0.008 1 818 81 84 SER HB2 H 3.888 0.008 2 819 81 84 SER HB3 H 3.894 0.008 2 820 81 84 SER C C 172.515 0.16 1 821 81 84 SER CA C 54.413 0.16 1 822 81 84 SER CB C 66.742 0.16 1 823 81 84 SER N N 111.102 0.055 1 824 82 85 PRO HA H 4.967 0.008 1 825 82 85 PRO HB2 H 2.336 0.008 1 826 82 85 PRO HB3 H 2.336 0.008 1 827 82 85 PRO HG2 H 1.696 0.008 1 828 82 85 PRO HG3 H 1.696 0.008 1 829 82 85 PRO HD2 H 3.742 0.008 1 830 82 85 PRO HD3 H 3.742 0.008 1 831 82 85 PRO C C 172.533 0.16 1 832 82 85 PRO CA C 62.721 0.16 1 833 82 85 PRO CB C 34.810 0.16 1 834 82 85 PRO CG C 23.730 0.16 1 835 82 85 PRO CD C 49.467 0.16 1 836 83 86 LYS H H 7.678 0.008 1 837 83 86 LYS HA H 4.021 0.008 1 838 83 86 LYS HB2 H 1.639 0.008 1 839 83 86 LYS HB3 H 1.639 0.008 1 840 83 86 LYS HG2 H 1.185 0.008 1 841 83 86 LYS HG3 H 1.185 0.008 1 842 83 86 LYS HD2 H 1.392 0.008 1 843 83 86 LYS HD3 H 1.392 0.008 1 844 83 86 LYS HE2 H 3.250 0.008 1 845 83 86 LYS HE3 H 3.250 0.008 1 846 83 86 LYS C C 174.002 0.16 1 847 83 86 LYS CA C 56.884 0.16 1 848 83 86 LYS CB C 35.176 0.16 1 849 83 86 LYS CG C 27.131 0.16 1 850 83 86 LYS CD C 30.055 0.16 1 851 83 86 LYS CE C 42.388 0.16 1 852 83 86 LYS N N 109.775 0.055 1 853 84 87 ILE H H 11.096 0.008 1 854 84 87 ILE HA H 3.976 0.008 1 855 84 87 ILE HB H 1.626 0.008 1 856 84 87 ILE HG12 H 0.820 0.008 2 857 84 87 ILE HG13 H 0.781 0.008 2 858 84 87 ILE HG2 H 0.658 0.008 1 859 84 87 ILE HD1 H 0.456 0.008 1 860 84 87 ILE C C 172.716 0.16 1 861 84 87 ILE CA C 61.550 0.16 1 862 84 87 ILE CB C 37.184 0.16 1 863 84 87 ILE CG1 C 28.165 0.16 1 864 84 87 ILE CG2 C 17.853 0.16 1 865 84 87 ILE CD1 C 13.094 0.16 1 866 84 87 ILE N N 121.645 0.055 1 867 85 88 LEU H H 8.430 0.008 1 868 85 88 LEU HA H 5.085 0.008 1 869 85 88 LEU HB2 H 1.699 0.008 2 870 85 88 LEU HB3 H 1.696 0.008 2 871 85 88 LEU HG H 0.915 0.008 1 872 85 88 LEU HD1 H 0.743 0.008 1 873 85 88 LEU C C 171.807 0.16 1 874 85 88 LEU CA C 50.635 0.16 1 875 85 88 LEU CB C 41.185 0.16 1 876 85 88 LEU CG C 25.881 0.16 1 877 85 88 LEU CD1 C 23.384 0.16 2 878 85 88 LEU CD2 C 23.288 0.16 2 879 85 88 LEU N N 128.344 0.055 1 880 86 89 PRO HA H 5.063 0.008 1 881 86 89 PRO HB2 H 2.198 0.008 1 882 86 89 PRO HB3 H 2.198 0.008 1 883 86 89 PRO HG2 H 1.524 0.008 1 884 86 89 PRO HG3 H 1.524 0.008 1 885 86 89 PRO HD2 H 4.211 0.008 1 886 86 89 PRO HD3 H 4.211 0.008 1 887 86 89 PRO C C 177.763 0.16 1 888 86 89 PRO CB C 33.127 0.16 1 889 86 89 PRO CG C 28.224 0.16 1 890 86 89 PRO CD C 50.676 0.16 1 891 87 90 VAL H H 7.751 0.008 1 892 87 90 VAL HA H 3.795 0.008 1 893 87 90 VAL HB H 2.189 0.008 1 894 87 90 VAL HG1 H 1.344 0.008 2 895 87 90 VAL HG2 H 1.137 0.008 2 896 87 90 VAL C C 174.937 0.16 1 897 87 90 VAL CA C 66.207 0.16 1 898 87 90 VAL CB C 31.991 0.16 1 899 87 90 VAL CG1 C 20.970 0.16 2 900 87 90 VAL CG2 C 22.853 0.16 2 901 87 90 VAL N N 122.910 0.055 1 902 88 91 GLU H H 8.586 0.008 1 903 88 91 GLU HA H 4.647 0.008 1 904 88 91 GLU HB2 H 2.218 0.008 2 905 88 91 GLU HB3 H 2.230 0.008 2 906 88 91 GLU HG2 H 2.290 0.008 2 907 88 91 GLU HG3 H 2.311 0.008 2 908 88 91 GLU C C 174.109 0.16 1 909 88 91 GLU CA C 53.130 0.16 1 910 88 91 GLU CB C 27.249 0.16 1 911 88 91 GLU CG C 36.013 0.16 1 912 88 91 GLU N N 116.639 0.055 1 913 89 92 ASN H H 6.454 0.008 1 914 89 92 ASN HA H 4.617 0.008 1 915 89 92 ASN HB2 H 2.890 0.008 2 916 89 92 ASN HB3 H 2.912 0.008 2 917 89 92 ASN HD21 H 7.092 0.008 1 918 89 92 ASN HD22 H 7.687 0.008 1 919 89 92 ASN C C 174.561 0.16 1 920 89 92 ASN CA C 53.188 0.16 1 921 89 92 ASN CB C 37.668 0.16 1 922 89 92 ASN N N 118.861 0.055 1 923 89 92 ASN ND2 N 112.569 0.055 1 924 90 93 THR H H 9.004 0.008 1 925 90 93 THR HA H 3.975 0.008 1 926 90 93 THR HB H 4.135 0.008 1 927 90 93 THR C C 173.689 0.16 1 928 90 93 THR CA C 65.987 0.16 1 929 90 93 THR CB C 68.364 0.16 1 930 90 93 THR CG2 C 21.658 0.16 1 931 90 93 THR N N 125.939 0.055 1 932 91 94 ASP H H 8.880 0.008 1 933 91 94 ASP HA H 4.836 0.008 1 934 91 94 ASP HB2 H 2.679 0.008 2 935 91 94 ASP HB3 H 2.672 0.008 2 936 91 94 ASP C C 173.402 0.16 1 937 91 94 ASP CA C 53.272 0.16 1 938 91 94 ASP CB C 41.874 0.16 1 939 91 94 ASP N N 119.407 0.055 1 940 92 95 VAL H H 8.430 0.008 1 941 92 95 VAL HA H 3.473 0.008 1 942 92 95 VAL HB H 2.153 0.008 1 943 92 95 VAL HG1 H 1.025 0.008 2 944 92 95 VAL HG2 H 1.104 0.008 2 945 92 95 VAL C C 177.642 0.16 1 946 92 95 VAL CA C 66.712 0.16 1 947 92 95 VAL CB C 31.050 0.16 1 948 92 95 VAL CG1 C 21.599 0.16 2 949 92 95 VAL CG2 C 20.628 0.16 2 950 92 95 VAL N N 130.147 0.055 1 951 93 96 ALA H H 8.536 0.008 1 952 93 96 ALA HA H 4.284 0.008 1 953 93 96 ALA HB H 1.609 0.008 1 954 93 96 ALA C C 176.949 0.16 1 955 93 96 ALA CA C 54.021 0.16 1 956 93 96 ALA CB C 18.051 0.16 1 957 93 96 ALA N N 123.109 0.055 1 958 94 97 SER H H 7.761 0.008 1 959 94 97 SER HA H 4.794 0.008 1 960 94 97 SER HB3 H 4.299 0.008 1 961 94 97 SER C C 175.362 0.16 1 962 94 97 SER CA C 60.605 0.16 1 963 94 97 SER CB C 64.341 0.16 1 964 94 97 SER N N 110.701 0.055 1 965 95 98 ARG H H 8.300 0.008 1 966 95 98 ARG HA H 4.049 0.008 1 967 95 98 ARG HB2 H 2.160 0.008 1 968 95 98 ARG HB3 H 2.160 0.008 1 969 95 98 ARG HG2 H 2.209 0.008 1 970 95 98 ARG HG3 H 2.209 0.008 1 971 95 98 ARG HD2 H 3.551 0.008 1 972 95 98 ARG HD3 H 3.551 0.008 1 973 95 98 ARG C C 173.802 0.16 1 974 95 98 ARG CA C 62.505 0.16 1 975 95 98 ARG CB C 27.240 0.16 1 976 95 98 ARG CG C 29.427 0.16 1 977 95 98 ARG CD C 43.278 0.16 1 978 95 98 ARG N N 125.013 0.055 1 979 96 99 PRO HA H 4.427 0.008 1 980 96 99 PRO HB2 H 2.229 0.008 2 981 96 99 PRO HB3 H 2.264 0.008 2 982 96 99 PRO HG2 H 1.968 0.008 2 983 96 99 PRO HG3 H 1.951 0.008 2 984 96 99 PRO HD2 H 3.632 0.008 2 985 96 99 PRO HD3 H 3.591 0.008 2 986 96 99 PRO C C 174.459 0.16 1 987 96 99 PRO CA C 64.948 0.16 1 988 96 99 PRO CB C 30.548 0.16 1 989 96 99 PRO CG C 27.694 0.16 1 990 96 99 PRO CD C 50.794 0.16 1 991 97 100 TYR H H 7.065 0.008 1 992 97 100 TYR HA H 4.676 0.008 1 993 97 100 TYR HB2 H 2.748 0.008 2 994 97 100 TYR HB3 H 2.718 0.008 2 995 97 100 TYR HD1 H 7.173 0.008 3 996 97 100 TYR HD2 H 7.173 0.008 3 997 97 100 TYR HE1 H 6.992 0.008 3 998 97 100 TYR HE2 H 6.992 0.008 3 999 97 100 TYR C C 172.553 0.16 1 1000 97 100 TYR CA C 55.812 0.16 1 1001 97 100 TYR CB C 38.107 0.16 1 1002 97 100 TYR N N 114.698 0.055 1 1003 98 101 ALA H H 7.340 0.008 1 1004 98 101 ALA HA H 4.250 0.008 1 1005 98 101 ALA HB H 1.418 0.008 1 1006 98 101 ALA C C 175.411 0.16 1 1007 98 101 ALA CA C 53.018 0.16 1 1008 98 101 ALA CB C 20.186 0.16 1 1009 98 101 ALA N N 118.506 0.055 1 1010 99 102 ASN H H 10.017 0.008 1 1011 99 102 ASN HA H 4.736 0.008 1 1012 99 102 ASN HB2 H 2.780 0.008 2 1013 99 102 ASN HB3 H 2.802 0.008 2 1014 99 102 ASN HD21 H 7.259 0.008 1 1015 99 102 ASN HD22 H 8.114 0.008 1 1016 99 102 ASN C C 173.945 0.16 1 1017 99 102 ASN CA C 51.703 0.16 1 1018 99 102 ASN CB C 39.123 0.16 1 1019 99 102 ASN N N 118.137 0.055 1 1020 99 102 ASN ND2 N 107.095 0.055 1 1021 100 103 VAL H H 7.734 0.008 1 1022 100 103 VAL HA H 5.757 0.008 1 1023 100 103 VAL HB H 2.433 0.008 1 1024 100 103 VAL HG1 H 0.906 0.008 2 1025 100 103 VAL HG2 H 0.882 0.008 2 1026 100 103 VAL C C 173.326 0.16 1 1027 100 103 VAL CA C 57.958 0.16 1 1028 100 103 VAL CB C 36.619 0.16 1 1029 100 103 VAL CG1 C 17.554 0.16 2 1030 100 103 VAL CG2 C 21.259 0.16 2 1031 100 103 VAL N N 115.175 0.055 1 1032 101 104 ASP H H 9.473 0.008 1 1033 101 104 ASP HA H 4.180 0.008 1 1034 101 104 ASP HB2 H 2.892 0.008 2 1035 101 104 ASP HB3 H 2.884 0.008 2 1036 101 104 ASP C C 175.342 0.16 1 1037 101 104 ASP CA C 55.497 0.16 1 1038 101 104 ASP CB C 38.860 0.16 1 1039 101 104 ASP N N 120.681 0.055 1 1040 102 105 ALA H H 8.214 0.008 1 1041 102 105 ALA HA H 4.556 0.008 1 1042 102 105 ALA HB H 1.383 0.008 1 1043 102 105 ALA C C 171.945 0.16 1 1044 102 105 ALA CA C 51.262 0.16 1 1045 102 105 ALA CB C 21.606 0.16 1 1046 102 105 ALA N N 125.676 0.055 1 1047 103 106 LYS H H 7.984 0.008 1 1048 103 106 LYS HA H 4.329 0.008 1 1049 103 106 LYS HB2 H 2.208 0.008 1 1050 103 106 LYS HB3 H 2.208 0.008 1 1051 103 106 LYS HG2 H 1.283 0.008 1 1052 103 106 LYS HG3 H 1.283 0.008 1 1053 103 106 LYS HD2 H 1.668 0.008 1 1054 103 106 LYS HD3 H 1.668 0.008 1 1055 103 106 LYS HE2 H 2.939 0.008 1 1056 103 106 LYS HE3 H 2.939 0.008 1 1057 103 106 LYS C C 171.443 0.16 1 1058 103 106 LYS CA C 53.030 0.16 1 1059 103 106 LYS CB C 30.489 0.16 1 1060 103 106 LYS CG C 23.040 0.16 1 1061 103 106 LYS CD C 29.265 0.16 1 1062 103 106 LYS CE C 41.631 0.16 1 1063 103 106 LYS N N 115.672 0.055 1 1064 104 107 PRO HA H 4.924 0.008 1 1065 104 107 PRO HB2 H 2.249 0.008 1 1066 104 107 PRO HB3 H 2.249 0.008 1 1067 104 107 PRO HG2 H 2.136 0.008 1 1068 104 107 PRO HG3 H 2.136 0.008 1 1069 104 107 PRO HD2 H 3.727 0.008 1 1070 104 107 PRO HD3 H 3.727 0.008 1 1071 104 107 PRO C C 174.169 0.16 1 1072 104 107 PRO CA C 62.462 0.16 1 1073 104 107 PRO CB C 31.556 0.16 1 1074 104 107 PRO CG C 27.116 0.16 1 1075 104 107 PRO CD C 50.383 0.16 1 1076 105 108 ALA H H 8.620 0.008 1 1077 105 108 ALA HA H 4.210 0.008 1 1078 105 108 ALA HB H 1.623 0.008 1 1079 105 108 ALA C C 176.138 0.16 1 1080 105 108 ALA CA C 51.022 0.16 1 1081 105 108 ALA CB C 18.853 0.16 1 1082 105 108 ALA N N 124.170 0.055 1 1083 106 109 GLU H H 8.881 0.008 1 1084 106 109 GLU HA H 4.281 0.008 1 1085 106 109 GLU HB2 H 2.009 0.008 2 1086 106 109 GLU HB3 H 1.987 0.008 2 1087 106 109 GLU HG2 H 2.390 0.008 2 1088 106 109 GLU HG3 H 2.427 0.008 2 1089 106 109 GLU C C 175.116 0.16 1 1090 106 109 GLU CA C 57.205 0.16 1 1091 106 109 GLU CB C 28.819 0.16 1 1092 106 109 GLU CG C 35.562 0.16 1 1093 106 109 GLU N N 122.433 0.055 1 1094 107 110 SER H H 8.301 0.008 1 1095 107 110 SER HA H 4.157 0.008 1 1096 107 110 SER HB2 H 4.093 0.008 1 1097 107 110 SER HB3 H 4.093 0.008 1 1098 107 110 SER C C 171.237 0.16 1 1099 107 110 SER CA C 58.269 0.16 1 1100 107 110 SER CB C 61.029 0.16 1 1101 107 110 SER N N 117.973 0.055 1 1102 108 111 ALA H H 7.083 0.008 1 1103 108 111 ALA HA H 4.230 0.008 1 1104 108 111 ALA HB H 1.552 0.008 1 1105 108 111 ALA C C 175.663 0.16 1 1106 108 111 ALA CA C 52.216 0.16 1 1107 108 111 ALA CB C 19.792 0.16 1 1108 108 111 ALA N N 120.815 0.055 1 1109 109 112 ALA H H 8.505 0.008 1 1110 109 112 ALA HA H 4.399 0.008 1 1111 109 112 ALA HB H 1.479 0.008 1 1112 109 112 ALA C C 176.283 0.16 1 1113 109 112 ALA CA C 53.200 0.16 1 1114 109 112 ALA CB C 19.396 0.16 1 1115 109 112 ALA N N 124.187 0.055 1 1116 110 113 ILE H H 8.281 0.008 1 1117 110 113 ILE HA H 4.973 0.008 1 1118 110 113 ILE HB H 1.471 0.008 1 1119 110 113 ILE HG12 H 0.850 0.008 1 1120 110 113 ILE HG13 H 0.850 0.008 1 1121 110 113 ILE HG2 H 0.611 0.008 1 1122 110 113 ILE HD1 H 0.355 0.008 1 1123 110 113 ILE C C 174.354 0.16 1 1124 110 113 ILE CA C 59.963 0.16 1 1125 110 113 ILE CB C 39.506 0.16 1 1126 110 113 ILE CG1 C 28.155 0.16 1 1127 110 113 ILE CG2 C 16.874 0.16 1 1128 110 113 ILE CD1 C 13.645 0.16 1 1129 110 113 ILE N N 123.926 0.055 1 1130 111 114 THR H H 8.977 0.008 1 1131 111 114 THR HA H 4.546 0.008 1 1132 111 114 THR HB H 4.155 0.008 1 1133 111 114 THR C C 171.262 0.16 1 1134 111 114 THR CA C 61.662 0.16 1 1135 111 114 THR CB C 69.950 0.16 1 1136 111 114 THR CG2 C 20.774 0.16 1 1137 111 114 THR N N 124.950 0.055 1 1138 112 115 ILE H H 8.975 0.008 1 1139 112 115 ILE HA H 4.035 0.008 1 1140 112 115 ILE HB H 1.715 0.008 1 1141 112 115 ILE HG12 H 1.767 0.008 2 1142 112 115 ILE HG13 H 1.791 0.008 2 1143 112 115 ILE HG2 H 1.094 0.008 1 1144 112 115 ILE HD1 H 0.894 0.008 1 1145 112 115 ILE C C 174.565 0.16 1 1146 112 115 ILE CA C 61.572 0.16 1 1147 112 115 ILE CB C 37.606 0.16 1 1148 112 115 ILE CG1 C 28.470 0.16 1 1149 112 115 ILE CG2 C 17.189 0.16 1 1150 112 115 ILE CD1 C 13.260 0.16 1 1151 112 115 ILE N N 127.807 0.055 1 1152 113 116 LEU H H 9.145 0.008 1 1153 113 116 LEU HA H 4.375 0.008 1 1154 113 116 LEU HB2 H 1.631 0.008 1 1155 113 116 LEU HB3 H 1.631 0.008 1 1156 113 116 LEU HG H 1.614 0.008 1 1157 113 116 LEU HD1 H 0.849 0.008 1 1158 113 116 LEU HD2 H 0.849 0.008 1 1159 113 116 LEU C C 175.394 0.16 1 1160 113 116 LEU CA C 55.017 0.16 1 1161 113 116 LEU CB C 41.519 0.16 1 1162 113 116 LEU CG C 25.538 0.16 1 1163 113 116 LEU CD1 C 22.005 0.16 1 1164 113 116 LEU CD2 C 22.005 0.16 1 1165 113 116 LEU N N 128.953 0.055 1 1166 114 117 ASN H H 8.583 0.008 1 1167 114 117 ASN HA H 4.771 0.008 1 1168 114 117 ASN HB2 H 2.905 0.008 1 1169 114 117 ASN HB3 H 2.905 0.008 1 1170 114 117 ASN HD21 H 6.930 0.008 1 1171 114 117 ASN HD22 H 7.824 0.008 1 1172 114 117 ASN C C 173.223 0.16 1 1173 114 117 ASN CA C 53.110 0.16 1 1174 114 117 ASN CB C 38.236 0.16 1 1175 114 117 ASN N N 117.662 0.055 1 1176 114 117 ASN ND2 N 113.983 0.055 1 1177 115 118 LYS H H 8.248 0.008 1 1178 115 118 LYS HA H 4.387 0.008 1 1179 115 118 LYS HB2 H 1.913 0.008 1 1180 115 118 LYS HB3 H 1.913 0.008 1 1181 115 118 LYS HG2 H 1.499 0.008 1 1182 115 118 LYS HG3 H 1.499 0.008 1 1183 115 118 LYS HD2 H 1.769 0.008 1 1184 115 118 LYS HD3 H 1.769 0.008 1 1185 115 118 LYS HE2 H 3.073 0.008 1 1186 115 118 LYS HE3 H 3.073 0.008 1 1187 115 118 LYS C C 174.563 0.16 1 1188 115 118 LYS CA C 55.979 0.16 1 1189 115 118 LYS CB C 32.550 0.16 1 1190 115 118 LYS CG C 24.212 0.16 1 1191 115 118 LYS CD C 28.468 0.16 1 1192 115 118 LYS CE C 41.328 0.16 1 stop_ save_