data_26844 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments for the insertion domain of bacteriophage Sf6 coat protein ; _BMRB_accession_number 26844 _BMRB_flat_file_name bmr26844.str _Entry_type original _Submission_date 2016-07-05 _Accession_date 2016-07-05 _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 Teschke Carolyn M. . 3 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" 607 "13C chemical shifts" 448 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-03 original BMRB . stop_ _Original_release_date 2016-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments for the insertion domain of bacteriophage Sf6 coat protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27798771 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tripler Therese N. . 2 Teschke Carolyn M. . 3 Alexandresu Andrei T. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35 _Page_last 38 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name procapsid _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sf6id $Sf6id 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_Sf6id _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sf6id _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GAFGGTLTVKTQPTVTYNAV KDSYQFTVTLTGATASVTGF LKAGDQVKFTNTYWLQQQTK QALYNGATPISFTATVTADA NSDSGGDVTVTLSGVPIYDT TNPQYNSVSRQVEAGDAVSV VGTA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ALA 3 3 PHE 4 4 GLY 5 5 GLY 6 6 THR 7 7 LEU 8 8 THR 9 9 VAL 10 10 LYS 11 11 THR 12 12 GLN 13 13 PRO 14 14 THR 15 15 VAL 16 16 THR 17 17 TYR 18 18 ASN 19 19 ALA 20 20 VAL 21 21 LYS 22 22 ASP 23 23 SER 24 24 TYR 25 25 GLN 26 26 PHE 27 27 THR 28 28 VAL 29 29 THR 30 30 LEU 31 31 THR 32 32 GLY 33 33 ALA 34 34 THR 35 35 ALA 36 36 SER 37 37 VAL 38 38 THR 39 39 GLY 40 40 PHE 41 41 LEU 42 42 LYS 43 43 ALA 44 44 GLY 45 45 ASP 46 46 GLN 47 47 VAL 48 48 LYS 49 49 PHE 50 50 THR 51 51 ASN 52 52 THR 53 53 TYR 54 54 TRP 55 55 LEU 56 56 GLN 57 57 GLN 58 58 GLN 59 59 THR 60 60 LYS 61 61 GLN 62 62 ALA 63 63 LEU 64 64 TYR 65 65 ASN 66 66 GLY 67 67 ALA 68 68 THR 69 69 PRO 70 70 ILE 71 71 SER 72 72 PHE 73 73 THR 74 74 ALA 75 75 THR 76 76 VAL 77 77 THR 78 78 ALA 79 79 ASP 80 80 ALA 81 81 ASN 82 82 SER 83 83 ASP 84 84 SER 85 85 GLY 86 86 GLY 87 87 ASP 88 88 VAL 89 89 THR 90 90 VAL 91 91 THR 92 92 LEU 93 93 SER 94 94 GLY 95 95 VAL 96 96 PRO 97 97 ILE 98 98 TYR 99 99 ASP 100 100 THR 101 101 THR 102 102 ASN 103 103 PRO 104 104 GLN 105 105 TYR 106 106 ASN 107 107 SER 108 108 VAL 109 109 SER 110 110 ARG 111 111 GLN 112 112 VAL 113 113 GLU 114 114 ALA 115 115 GLY 116 116 ASP 117 117 ALA 118 118 VAL 119 119 SER 120 120 VAL 121 121 VAL 122 122 GLY 123 123 THR 124 124 ALA 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 $Sf6id 'Sf6 Bacteriophage' 38018 Virsues . Sf6 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 $Sf6id 'recombinant technology' . Shigella flexneri . pET21a 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 $Sf6id 1.5 mM '[U-100% 15N]' $Sf6id 2.1 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 $Sf6id 2.1 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_ 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 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_NH2_only_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _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_ 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_DQF-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H 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 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 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 NH2 only' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' HNCACO '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H 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 Sf6id _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 ALA H H 8.582 0.007 1 2 2 2 ALA HA H 4.452 0.007 1 3 2 2 ALA HB H 1.270 0.007 1 4 2 2 ALA C C 173.709 0.456 1 5 2 2 ALA CA C 51.954 0.547 1 6 2 2 ALA CB C 19.043 0.547 1 7 2 2 ALA N N 123.475 0.0585 1 8 3 3 PHE H H 8.572 0.007 1 9 3 3 PHE HA H 4.545 0.007 1 10 3 3 PHE HB2 H 3.112 0.007 2 11 3 3 PHE HB3 H 2.827 0.007 2 12 3 3 PHE HD1 H 7.397 0.007 1 13 3 3 PHE HD2 H 7.397 0.007 1 14 3 3 PHE HE1 H 7.114 0.007 1 15 3 3 PHE HE2 H 7.114 0.007 1 16 3 3 PHE HZ H 7.008 0.007 1 17 3 3 PHE C C 174.759 0.456 1 18 3 3 PHE CA C 58.050 0.547 1 19 3 3 PHE CB C 39.454 0.547 1 20 3 3 PHE N N 121.738 0.0585 1 21 4 4 GLY H H 8.533 0.007 1 22 4 4 GLY HA2 H 4.112 0.007 2 23 4 4 GLY HA3 H 3.650 0.007 2 24 4 4 GLY C C 176.840 0.456 1 25 4 4 GLY CA C 44.653 0.547 1 26 4 4 GLY N N 114.950 0.0585 1 27 5 5 GLY H H 5.897 0.007 1 28 5 5 GLY HA2 H 4.087 0.007 2 29 5 5 GLY HA3 H 3.648 0.007 2 30 5 5 GLY C C 178.046 0.456 1 31 5 5 GLY CA C 44.174 0.547 1 32 5 5 GLY N N 106.306 0.0585 1 33 6 6 THR H H 8.468 0.007 1 34 6 6 THR HA H 4.704 0.007 1 35 6 6 THR HB H 4.049 0.007 1 36 6 6 THR HG2 H 1.221 0.007 1 37 6 6 THR C C 176.799 0.456 1 38 6 6 THR CA C 61.671 0.547 1 39 6 6 THR CB C 69.957 0.547 1 40 6 6 THR N N 115.546 0.0585 1 41 7 7 LEU H H 9.199 0.007 1 42 7 7 LEU HA H 5.116 0.007 1 43 7 7 LEU HB2 H 1.507 0.007 2 44 7 7 LEU HB3 H 1.474 0.007 2 45 7 7 LEU HG H 0.744 0.007 1 46 7 7 LEU HD1 H 0.575 0.007 2 47 7 7 LEU HD2 H 0.578 0.007 2 48 7 7 LEU C C 174.907 0.456 1 49 7 7 LEU CA C 53.502 0.547 1 50 7 7 LEU CB C 43.994 0.547 1 51 7 7 LEU CG C 25.546 0.456 1 52 7 7 LEU CD1 C 23.779 0.456 2 53 7 7 LEU CD2 C 23.689 0.456 2 54 7 7 LEU N N 127.156 0.0585 1 55 8 8 THR H H 8.510 0.007 1 56 8 8 THR HA H 5.287 0.007 1 57 8 8 THR HB H 3.718 0.007 1 58 8 8 THR HG2 H 1.127 0.007 1 59 8 8 THR C C 176.423 0.456 1 60 8 8 THR CA C 60.434 0.547 1 61 8 8 THR CB C 71.376 0.547 1 62 8 8 THR CG2 C 20.732 0.456 1 63 8 8 THR N N 114.315 0.0585 1 64 9 9 VAL H H 9.116 0.007 1 65 9 9 VAL HA H 4.337 0.007 1 66 9 9 VAL HB H 2.234 0.007 1 67 9 9 VAL HG1 H 1.07 0.007 1 68 9 9 VAL C C 174.895 0.456 1 69 9 9 VAL CA C 64.297 0.547 1 70 9 9 VAL CB C 31.407 0.547 1 71 9 9 VAL CG1 C 22.58 0.456 2 72 9 9 VAL CG2 C 22.58 0.456 2 73 9 9 VAL N N 124.999 0.0585 1 74 10 10 LYS H H 9.696 0.007 1 75 10 10 LYS HA H 4.309 0.007 1 76 10 10 LYS HB2 H 1.600 0.007 2 77 10 10 LYS HB3 H 1.515 0.007 2 78 10 10 LYS HG2 H 1.396 0.007 2 79 10 10 LYS HG3 H 1.327 0.007 2 80 10 10 LYS HD2 H 1.448 0.007 2 81 10 10 LYS HD3 H 1.405 0.007 2 82 10 10 LYS HE2 H 2.868 0.007 2 83 10 10 LYS HE3 H 2.910 0.007 2 84 10 10 LYS C C 175.518 0.456 1 85 10 10 LYS CA C 57.664 0.547 1 86 10 10 LYS CB C 35.772 0.547 1 87 10 10 LYS CG C 25.356 0.456 1 88 10 10 LYS CD C 29.646 0.456 1 89 10 10 LYS N N 132.226 0.0585 1 90 11 11 THR H H 7.228 0.007 1 91 11 11 THR HA H 4.631 0.007 1 92 11 11 THR HB H 4.315 0.007 1 93 11 11 THR HG2 H 1.172 0.007 1 94 11 11 THR C C 178.677 0.456 1 95 11 11 THR CA C 58.689 0.547 1 96 11 11 THR CB C 71.226 0.547 1 97 11 11 THR CG2 C 21.117 0.456 1 98 11 11 THR N N 106.993 0.0585 1 99 12 12 GLN H H 8.455 0.007 1 100 12 12 GLN HA H 4.246 0.007 1 101 12 12 GLN HB2 H 2.092 0.007 2 102 12 12 GLN HB3 H 2.066 0.007 2 103 12 12 GLN HG2 H 2.497 0.007 1 104 12 12 GLN HE21 H 6.842 0.007 1 105 12 12 GLN HE22 H 7.368 0.007 1 106 12 12 GLN C C 176.501 0.456 1 107 12 12 GLN CA C 54.080 0.547 1 108 12 12 GLN CB C 28.141 0.547 1 109 12 12 GLN CG C 33.480 0.456 1 110 12 12 GLN N N 119.123 0.0585 1 111 12 12 GLN NE2 N 111.910 0.0585 1 112 13 13 PRO HA H 4.978 0.007 1 113 13 13 PRO HB2 H 2.050 0.007 2 114 13 13 PRO HB3 H 2.016 0.007 2 115 13 13 PRO HG2 H 1.968 0.007 2 116 13 13 PRO HG3 H 1.874 0.007 2 117 13 13 PRO HD2 H 3.734 0.007 2 118 13 13 PRO HD3 H 3.635 0.007 2 119 13 13 PRO C C 174.723 0.456 1 120 13 13 PRO CA C 62.539 0.547 1 121 13 13 PRO CB C 33.218 0.547 1 122 13 13 PRO CG C 26.937 0.456 1 123 13 13 PRO CD C 50.071 0.456 1 124 14 14 THR H H 8.848 0.007 1 125 14 14 THR HA H 4.659 0.007 1 126 14 14 THR HB H 4.098 0.007 1 127 14 14 THR HG2 H 1.205 0.007 1 128 14 14 THR C C 176.700 0.456 1 129 14 14 THR CA C 60.920 0.547 1 130 14 14 THR CB C 69.821 0.547 1 131 14 14 THR CG2 C 20.482 0.456 1 132 14 14 THR N N 116.541 0.0585 1 133 15 15 VAL H H 9.166 0.007 1 134 15 15 VAL HA H 4.821 0.007 1 135 15 15 VAL HB H 2.009 0.007 1 136 15 15 VAL HG1 H 1.089 0.007 2 137 15 15 VAL HG2 H 1.020 0.007 2 138 15 15 VAL C C 175.237 0.456 1 139 15 15 VAL CA C 61.812 0.547 1 140 15 15 VAL CB C 33.075 0.547 1 141 15 15 VAL CG1 C 21.290 0.456 2 142 15 15 VAL CG2 C 22.018 0.456 2 143 15 15 VAL N N 128.657 0.0585 1 144 16 16 THR H H 9.327 0.007 1 145 16 16 THR HA H 4.715 0.007 1 146 16 16 THR HB H 4.001 0.007 1 147 16 16 THR HG2 H 1.145 0.007 1 148 16 16 THR C C 178.794 0.456 1 149 16 16 THR CA C 60.411 0.547 1 150 16 16 THR CB C 71.334 0.547 1 151 16 16 THR CG2 C 20.795 0.456 1 152 16 16 THR N N 121.402 0.0585 1 153 17 17 TYR H H 8.761 0.007 1 154 17 17 TYR HA H 4.561 0.007 1 155 17 17 TYR HB2 H 2.636 0.007 2 156 17 17 TYR HB3 H 2.677 0.007 2 157 17 17 TYR HD1 H 7.135 0.007 1 158 17 17 TYR HD2 H 7.135 0.007 1 159 17 17 TYR HE1 H 6.748 0.007 1 160 17 17 TYR HE2 H 6.748 0.007 1 161 17 17 TYR C C 177.129 0.456 1 162 17 17 TYR CA C 55.984 0.547 1 163 17 17 TYR CB C 39.891 0.547 1 164 17 17 TYR N N 124.661 0.0585 1 165 18 18 ASN H H 8.344 0.007 1 166 18 18 ASN HA H 4.451 0.007 1 167 18 18 ASN HB2 H 2.859 0.007 2 168 18 18 ASN HB3 H 2.220 0.007 2 169 18 18 ASN HD21 H 7.459 0.007 1 170 18 18 ASN HD22 H 6.686 0.007 1 171 18 18 ASN C C 176.635 0.456 1 172 18 18 ASN CA C 50.992 0.547 1 173 18 18 ASN CB C 37.947 0.547 1 174 18 18 ASN N N 127.463 0.0585 1 175 18 18 ASN ND2 N 110.439 0.0585 1 176 19 19 ALA H H 8.441 0.007 1 177 19 19 ALA HA H 3.612 0.007 1 178 19 19 ALA HB H 1.390 0.007 1 179 19 19 ALA C C 171.919 0.456 1 180 19 19 ALA CA C 53.766 0.547 1 181 19 19 ALA CB C 18.281 0.547 1 182 19 19 ALA N N 126.859 0.0585 1 183 20 20 VAL H H 7.740 0.007 1 184 20 20 VAL HA H 3.623 0.007 1 185 20 20 VAL HB H 2.038 0.007 1 186 20 20 VAL HG1 H 0.931 0.007 2 187 20 20 VAL HG2 H 0.873 0.007 2 188 20 20 VAL C C 173.273 0.456 1 189 20 20 VAL CA C 64.833 0.547 1 190 20 20 VAL CB C 31.321 0.547 1 191 20 20 VAL CG1 C 20.344 0.456 2 192 20 20 VAL CG2 C 20.586 0.456 2 193 20 20 VAL N N 117.883 0.0585 1 194 21 21 LYS H H 7.015 0.007 1 195 21 21 LYS HA H 4.114 0.007 1 196 21 21 LYS HB2 H 1.783 0.007 2 197 21 21 LYS HB3 H 1.206 0.007 2 198 21 21 LYS HG2 H 1.288 0.007 2 199 21 21 LYS HG3 H 1.216 0.007 2 200 21 21 LYS HD2 H 1.536 0.007 2 201 21 21 LYS HD3 H 1.489 0.007 2 202 21 21 LYS HE2 H 2.890 0.007 2 203 21 21 LYS HE3 H 2.848 0.007 2 204 21 21 LYS C C 175.305 0.456 1 205 21 21 LYS CA C 54.697 0.547 1 206 21 21 LYS CB C 32.262 0.547 1 207 21 21 LYS CG C 24.782 0.456 1 208 21 21 LYS CD C 28.265 0.456 1 209 21 21 LYS CE C 41.402 0.456 1 210 21 21 LYS N N 116.471 0.0585 1 211 22 22 ASP H H 7.846 0.007 1 212 22 22 ASP HA H 4.039 0.007 1 213 22 22 ASP HB2 H 3.157 0.007 2 214 22 22 ASP HB3 H 2.356 0.007 2 215 22 22 ASP C C 177.213 0.456 1 216 22 22 ASP CA C 53.949 0.547 1 217 22 22 ASP CB C 38.524 0.547 1 218 22 22 ASP N N 120.402 0.0585 1 219 23 23 SER H H 7.381 0.007 1 220 23 23 SER HA H 4.808 0.007 1 221 23 23 SER HB2 H 3.790 0.007 2 222 23 23 SER HB3 H 3.548 0.007 2 223 23 23 SER C C 178.473 0.456 1 224 23 23 SER CA C 56.035 0.547 1 225 23 23 SER CB C 65.902 0.547 1 226 23 23 SER N N 110.318 0.0585 1 227 24 24 TYR H H 9.010 0.007 1 228 24 24 TYR HA H 5.239 0.007 1 229 24 24 TYR HB2 H 2.653 0.007 2 230 24 24 TYR HB3 H 2.891 0.007 2 231 24 24 TYR HD1 H 6.071 0.007 1 232 24 24 TYR HD2 H 6.071 0.007 1 233 24 24 TYR HE1 H 6.451 0.007 1 234 24 24 TYR HE2 H 6.451 0.007 1 235 24 24 TYR C C 174.865 0.456 1 236 24 24 TYR CA C 58.161 0.547 1 237 24 24 TYR CB C 41.711 0.547 1 238 24 24 TYR N N 121.789 0.0585 1 239 25 25 GLN H H 9.013 0.007 1 240 25 25 GLN HA H 5.584 0.007 1 241 25 25 GLN HB2 H 1.826 0.007 2 242 25 25 GLN HB3 H 2.040 0.007 2 243 25 25 GLN HG2 H 2.232 0.007 1 244 25 25 GLN HG3 H 2.232 0.007 1 245 25 25 GLN HE21 H 6.851 0.007 1 246 25 25 GLN HE22 H 7.368 0.007 1 247 25 25 GLN C C 176.750 0.456 1 248 25 25 GLN CA C 54.330 0.547 1 249 25 25 GLN CB C 32.136 0.547 1 250 25 25 GLN CG C 33.511 0.456 1 251 25 25 GLN N N 119.920 0.0585 1 252 25 25 GLN NE2 N 111.197 0.0585 1 253 26 26 PHE H H 9.372 0.007 1 254 26 26 PHE HA H 5.989 0.007 1 255 26 26 PHE HB2 H 2.772 0.007 2 256 26 26 PHE HB3 H 3.021 0.007 2 257 26 26 PHE HD1 H 7.017 0.007 1 258 26 26 PHE HD2 H 7.017 0.007 1 259 26 26 PHE HE1 H 6.869 0.007 1 260 26 26 PHE HE2 H 6.869 0.007 1 261 26 26 PHE HZ H 6.661 0.007 1 262 26 26 PHE C C 178.786 0.456 1 263 26 26 PHE CA C 54.905 0.547 1 264 26 26 PHE CB C 42.311 0.547 1 265 26 26 PHE N N 114.588 0.0585 1 266 27 27 THR H H 9.004 0.007 1 267 27 27 THR HA H 5.452 0.007 1 268 27 27 THR HB H 3.957 0.007 1 269 27 27 THR C C 177.206 0.456 1 270 27 27 THR CA C 60.881 0.547 1 271 27 27 THR CB C 70.780 0.547 1 272 27 27 THR N N 118.895 0.0585 1 273 28 28 VAL H H 9.200 0.007 1 274 28 28 VAL HA H 4.854 0.007 1 275 28 28 VAL HB H 1.693 0.007 1 276 28 28 VAL HG1 H 0.963 0.007 2 277 28 28 VAL HG2 H 0.856 0.007 2 278 28 28 VAL C C 178.751 0.456 1 279 28 28 VAL CA C 58.661 0.547 1 280 28 28 VAL CB C 36.340 0.547 1 281 28 28 VAL CG1 C 22.874 0.456 2 282 28 28 VAL CG2 C 20.103 0.456 2 283 28 28 VAL N N 123.173 0.0585 1 284 29 29 THR H H 7.979 0.007 1 285 29 29 THR HA H 4.178 0.007 1 286 29 29 THR HB H 4.105 0.007 1 287 29 29 THR C C 178.034 0.456 1 288 29 29 THR CA C 62.002 0.547 1 289 29 29 THR CB C 68.680 0.547 1 290 29 29 THR N N 120.964 0.0585 1 291 30 30 LEU H H 9.718 0.007 1 292 30 30 LEU HA H 5.249 0.007 1 293 30 30 LEU HB2 H 1.776 0.007 2 294 30 30 LEU HB3 H 1.324 0.007 2 295 30 30 LEU HG H 1.777 0.007 1 296 30 30 LEU HD1 H 0.841 0.007 2 297 30 30 LEU HD2 H 0.665 0.007 2 298 30 30 LEU C C 176.083 0.456 1 299 30 30 LEU CA C 51.680 0.547 1 300 30 30 LEU CB C 43.820 0.547 1 301 30 30 LEU CG C 26.816 0.456 1 302 30 30 LEU CD1 C 25.709 0.456 2 303 30 30 LEU CD2 C 26.117 0.456 2 304 30 30 LEU N N 128.246 0.0585 1 305 31 31 THR H H 9.280 0.007 1 306 31 31 THR HA H 5.412 0.007 1 307 31 31 THR HB H 3.863 0.007 1 308 31 31 THR HG2 H 1.069 0.007 1 309 31 31 THR C C 177.526 0.456 1 310 31 31 THR CA C 59.455 0.547 1 311 31 31 THR CB C 70.359 0.547 1 312 31 31 THR CG2 C 20.236 0.456 1 313 31 31 THR N N 113.911 0.0585 1 314 32 32 GLY H H 7.993 0.007 1 315 32 32 GLY HA2 H 4.694 0.007 2 316 32 32 GLY HA3 H 4.673 0.007 2 317 32 32 GLY C C 175.301 0.456 1 318 32 32 GLY CA C 44.203 0.547 1 319 32 32 GLY N N 109.888 0.0585 1 320 33 33 ALA H H 8.639 0.007 1 321 33 33 ALA HA H 3.497 0.007 1 322 33 33 ALA HB H -0.033 0.007 1 323 33 33 ALA C C 174.605 0.456 1 324 33 33 ALA CA C 50.654 0.547 1 325 33 33 ALA CB C 18.588 0.547 1 326 33 33 ALA N N 123.949 0.0585 1 327 34 34 THR H H 5.962 0.007 1 328 34 34 THR HA H 3.896 0.007 1 329 34 34 THR HB H 3.743 0.007 1 330 34 34 THR HG2 H 1.289 0.007 1 331 34 34 THR C C 177.342 0.456 1 332 34 34 THR CA C 63.041 0.547 1 333 34 34 THR CB C 68.848 0.547 1 334 34 34 THR CG2 C 21.819 0.456 1 335 34 34 THR N N 115.120 0.0585 1 336 35 35 ALA H H 8.703 0.007 1 337 35 35 ALA HA H 4.154 0.007 1 338 35 35 ALA HB H 1.344 0.007 1 339 35 35 ALA C C 174.124 0.456 1 340 35 35 ALA CA C 52.934 0.547 1 341 35 35 ALA CB C 18.876 0.547 1 342 35 35 ALA N N 130.651 0.0585 1 343 36 36 SER H H 7.541 0.007 1 344 36 36 SER HA H 3.705 0.007 1 345 36 36 SER HB2 H 3.845 0.007 2 346 36 36 SER HB3 H 3.705 0.007 2 347 36 36 SER C C 177.166 0.456 1 348 36 36 SER CA C 57.641 0.547 1 349 36 36 SER CB C 59.894 0.547 1 350 36 36 SER N N 113.042 0.0585 1 351 37 37 VAL H H 8.379 0.007 1 352 37 37 VAL HA H 4.202 0.007 1 353 37 37 VAL HB H 2.089 0.007 1 354 37 37 VAL HG1 H 0.823 0.007 2 355 37 37 VAL HG2 H 0.820 0.007 2 356 37 37 VAL C C 174.336 0.456 1 357 37 37 VAL CA C 61.021 0.547 1 358 37 37 VAL CB C 33.347 0.547 1 359 37 37 VAL CG1 C 21.729 0.456 2 360 37 37 VAL CG2 C 20.956 0.456 2 361 37 37 VAL N N 121.870 0.0585 1 362 38 38 THR H H 8.833 0.007 1 363 38 38 THR HA H 4.179 0.007 1 364 38 38 THR HB H 3.971 0.007 1 365 38 38 THR HG2 H 1.146 0.007 1 366 38 38 THR C C 175.104 0.456 1 367 38 38 THR CA C 61.977 0.547 1 368 38 38 THR CB C 68.088 0.547 1 369 38 38 THR CG2 C 20.750 0.456 1 370 38 38 THR N N 126.948 0.0585 1 371 39 39 GLY H H 9.563 0.007 1 372 39 39 GLY HA2 H 3.661 0.007 2 373 39 39 GLY HA3 H 3.497 0.007 2 374 39 39 GLY C C 176.603 0.456 1 375 39 39 GLY CA C 47.027 0.547 1 376 39 39 GLY N N 117.443 0.0585 1 377 40 40 PHE H H 7.695 0.007 1 378 40 40 PHE HA H 3.736 0.007 1 379 40 40 PHE HB2 H 3.402 0.007 2 380 40 40 PHE HB3 H 2.541 0.007 2 381 40 40 PHE HD1 H 7.419 0.007 1 382 40 40 PHE HD2 H 7.419 0.007 1 383 40 40 PHE HE1 H 7.012 0.007 1 384 40 40 PHE HE2 H 7.012 0.007 1 385 40 40 PHE HZ H 6.132 0.007 1 386 40 40 PHE C C 174.685 0.456 1 387 40 40 PHE CA C 61.516 0.547 1 388 40 40 PHE CB C 39.390 0.547 1 389 40 40 PHE N N 121.292 0.0585 1 390 41 41 LEU H H 7.711 0.007 1 391 41 41 LEU HA H 4.394 0.007 1 392 41 41 LEU HB2 H 1.341 0.007 2 393 41 41 LEU HB3 H 1.350 0.007 2 394 41 41 LEU HG H 0.745 0.007 1 395 41 41 LEU HD1 H 0.747 0.007 1 396 41 41 LEU HD2 H 0.747 0.007 1 397 41 41 LEU C C 176.543 0.456 1 398 41 41 LEU CA C 53.033 0.547 1 399 41 41 LEU CB C 45.573 0.547 1 400 41 41 LEU CG C 26.322 0.456 1 401 41 41 LEU CD1 C 23.434 0.456 2 402 41 41 LEU CD2 C 23.385 0.456 2 403 41 41 LEU N N 113.096 0.0585 1 404 42 42 LYS H H 8.993 0.007 1 405 42 42 LYS HA H 4.618 0.007 1 406 42 42 LYS HB2 H 1.579 0.007 2 407 42 42 LYS HB3 H 1.521 0.007 2 408 42 42 LYS HG2 H 1.333 0.007 2 409 42 42 LYS HG3 H 1.191 0.007 2 410 42 42 LYS HD2 H 1.593 0.007 2 411 42 42 LYS HD3 H 1.494 0.007 2 412 42 42 LYS HE2 H 2.728 0.007 1 413 42 42 LYS HE3 H 2.728 0.007 1 414 42 42 LYS C C 174.786 0.456 1 415 42 42 LYS CA C 52.694 0.547 1 416 42 42 LYS CB C 34.498 0.547 1 417 42 42 LYS CG C 24.260 0.456 1 418 42 42 LYS CD C 27.806 0.456 1 419 42 42 LYS CE C 41.665 0.456 1 420 42 42 LYS N N 121.562 0.0585 1 421 43 43 ALA H H 8.655 0.007 1 422 43 43 ALA HA H 3.677 0.007 1 423 43 43 ALA HB H 1.331 0.007 1 424 43 43 ALA C C 172.634 0.456 1 425 43 43 ALA CA C 52.792 0.547 1 426 43 43 ALA CB C 17.379 0.547 1 427 43 43 ALA N N 121.900 0.0585 1 428 44 44 GLY H H 8.940 0.007 1 429 44 44 GLY HA2 H 4.092 0.007 2 430 44 44 GLY HA3 H 4.049 0.007 2 431 44 44 GLY C C 176.050 0.456 1 432 44 44 GLY CA C 44.552 0.547 1 433 44 44 GLY N N 112.631 0.0585 1 434 45 45 ASP H H 8.664 0.007 1 435 45 45 ASP HA H 4.539 0.007 1 436 45 45 ASP HB2 H 2.514 0.007 2 437 45 45 ASP HB3 H 2.408 0.007 2 438 45 45 ASP C C 176.253 0.456 1 439 45 45 ASP CA C 55.531 0.547 1 440 45 45 ASP CB C 40.432 0.547 1 441 45 45 ASP N N 123.429 0.0585 1 442 46 46 GLN H H 8.710 0.007 1 443 46 46 GLN HA H 5.156 0.007 1 444 46 46 GLN HB2 H 1.787 0.007 2 445 46 46 GLN HB3 H 1.713 0.007 2 446 46 46 GLN HG2 H 2.228 0.007 2 447 46 46 GLN HG3 H 2.167 0.007 2 448 46 46 GLN HE21 H 6.887 0.007 1 449 46 46 GLN HE22 H 7.299 0.007 1 450 46 46 GLN C C 175.705 0.456 1 451 46 46 GLN CA C 53.987 0.547 1 452 46 46 GLN CB C 31.324 0.547 1 453 46 46 GLN CG C 33.985 0.456 1 454 46 46 GLN N N 118.848 0.0585 1 455 46 46 GLN NE2 N 111.714 0.0585 1 456 47 47 VAL H H 8.996 0.007 1 457 47 47 VAL HA H 4.953 0.007 1 458 47 47 VAL HB H 1.719 0.007 1 459 47 47 VAL HG1 H 0.477 0.007 2 460 47 47 VAL HG2 H 0.608 0.007 2 461 47 47 VAL C C 178.373 0.456 1 462 47 47 VAL CA C 58.285 0.547 1 463 47 47 VAL CB C 33.680 0.547 1 464 47 47 VAL CG1 C 22.005 0.456 2 465 47 47 VAL CG2 C 20.827 0.456 2 466 47 47 VAL N N 117.696 0.0585 1 467 48 48 LYS H H 9.215 0.007 1 468 48 48 LYS HA H 5.178 0.007 1 469 48 48 LYS HB2 H 1.398 0.007 2 470 48 48 LYS HB3 H 1.499 0.007 2 471 48 48 LYS HG2 H 1.390 0.007 2 472 48 48 LYS HG3 H 1.357 0.007 2 473 48 48 LYS HD2 H 1.480 0.007 2 474 48 48 LYS HD3 H 1.508 0.007 2 475 48 48 LYS HE2 H 2.765 0.007 2 476 48 48 LYS HE3 H 2.875 0.007 2 477 48 48 LYS C C 175.544 0.456 1 478 48 48 LYS CA C 53.859 0.547 1 479 48 48 LYS CB C 35.775 0.547 1 480 48 48 LYS CG C 24.627 0.456 1 481 48 48 LYS CD C 29.162 0.456 1 482 48 48 LYS CE C 41.415 0.456 1 483 48 48 LYS N N 124.794 0.0585 1 484 49 49 PHE H H 9.118 0.007 1 485 49 49 PHE HA H 5.025 0.007 1 486 49 49 PHE HB2 H 3.083 0.007 2 487 49 49 PHE HB3 H 3.011 0.007 2 488 49 49 PHE C C 175.339 0.456 1 489 49 49 PHE CA C 56.309 0.547 1 490 49 49 PHE CB C 40.619 0.547 1 491 49 49 PHE N N 128.989 0.0585 1 492 50 50 THR H H 9.362 0.007 1 493 50 50 THR HA H 5.077 0.007 1 494 50 50 THR HB H 3.851 0.007 1 495 50 50 THR HG2 H 1.079 0.007 1 496 50 50 THR C C 177.660 0.456 1 497 50 50 THR CA C 61.463 0.547 1 498 50 50 THR CB C 70.850 0.547 1 499 50 50 THR CG2 C 21.029 0.456 1 500 50 50 THR N N 118.186 0.0585 1 501 51 51 ASN H H 7.883 0.007 1 502 51 51 ASN HA H 4.642 0.007 1 503 51 51 ASN HB2 H 3.147 0.007 2 504 51 51 ASN HB3 H 3.185 0.007 2 505 51 51 ASN C C 175.443 0.456 1 506 51 51 ASN CA C 53.114 0.547 1 507 51 51 ASN CB C 38.353 0.547 1 508 51 51 ASN N N 125.439 0.0585 1 509 52 52 THR H H 8.233 0.007 1 510 52 52 THR C C 173.917 0.456 1 511 52 52 THR CA C 60.487 0.547 1 512 52 52 THR CB C 67.562 0.547 1 513 52 52 THR N N 117.246 0.0585 1 514 53 53 TYR H H 8.110 0.007 1 515 53 53 TYR HA H 4.121 0.007 1 516 53 53 TYR HB2 H 2.880 0.007 2 517 53 53 TYR HB3 H 2.898 0.007 2 518 53 53 TYR HD1 H 7.002 0.007 1 519 53 53 TYR HD2 H 7.002 0.007 1 520 53 53 TYR HE1 H 7.415 0.007 1 521 53 53 TYR HE2 H 7.415 0.007 1 522 53 53 TYR C C 175.222 0.456 1 523 53 53 TYR CA C 54.917 0.547 1 524 53 53 TYR CB C 41.911 0.547 1 525 53 53 TYR N N 120.465 0.0585 1 526 54 54 TRP H H 8.137 0.007 1 527 54 54 TRP HA H 4.114 0.007 1 528 54 54 TRP HB2 H 1.912 0.007 2 529 54 54 TRP HB3 H 1.935 0.007 2 530 54 54 TRP C C 175.364 0.456 1 531 54 54 TRP CA C 56.047 0.547 1 532 54 54 TRP CB C 29.871 0.547 1 533 54 54 TRP N N 117.968 0.0585 1 534 55 55 LEU H H 8.191 0.007 1 535 55 55 LEU HA H 4.198 0.007 1 536 55 55 LEU HB2 H 1.547 0.007 2 537 55 55 LEU HB3 H 1.539 0.007 2 538 55 55 LEU HG H 1.470 0.007 1 539 55 55 LEU HD1 H 0.829 0.007 2 540 55 55 LEU HD2 H 0.733 0.007 2 541 55 55 LEU C C 173.568 0.456 1 542 55 55 LEU CA C 54.973 0.547 1 543 55 55 LEU CB C 41.832 0.547 1 544 55 55 LEU CG C 26.598 0.456 1 545 55 55 LEU CD1 C 24.477 0.456 2 546 55 55 LEU CD2 C 23.157 0.456 2 547 55 55 LEU N N 120.334 0.0585 1 548 56 56 GLN H H 8.127 0.007 1 549 56 56 GLN HA H 4.055 0.007 1 550 56 56 GLN HB2 H 2.041 0.007 2 551 56 56 GLN HB3 H 1.997 0.007 2 552 56 56 GLN HE21 H 6.717 0.007 1 553 56 56 GLN HE22 H 6.907 0.007 1 554 56 56 GLN C C 173.343 0.456 1 555 56 56 GLN CA C 57.069 0.547 1 556 56 56 GLN CB C 28.024 0.547 1 557 56 56 GLN N N 117.942 0.0585 1 558 56 56 GLN NE2 N 112.878 0.0585 1 559 57 57 GLN H H 7.763 0.007 1 560 57 57 GLN HA H 3.991 0.007 1 561 57 57 GLN HB2 H 1.801 0.007 2 562 57 57 GLN HB3 H 1.943 0.007 2 563 57 57 GLN HG2 H 2.009 0.007 2 564 57 57 GLN HG3 H 1.944 0.007 2 565 57 57 GLN HE21 H 6.851 0.007 1 566 57 57 GLN HE22 H 7.359 0.007 1 567 57 57 GLN C C 173.773 0.456 1 568 57 57 GLN CA C 56.110 0.547 1 569 57 57 GLN CB C 28.160 0.547 1 570 57 57 GLN CG C 32.823 0.456 1 571 57 57 GLN N N 117.886 0.0585 1 572 57 57 GLN NE2 N 111.548 0.0585 1 573 58 58 GLN H H 7.867 0.007 1 574 58 58 GLN HA H 4.018 0.007 1 575 58 58 GLN HB2 H 1.836 0.007 2 576 58 58 GLN HB3 H 1.889 0.007 2 577 58 58 GLN HG2 H 1.828 0.007 1 578 58 58 GLN HG3 H 1.828 0.007 1 579 58 58 GLN HE21 H 6.518 0.007 1 580 58 58 GLN HE22 H 6.798 0.007 1 581 58 58 GLN C C 173.949 0.456 1 582 58 58 GLN CA C 56.075 0.547 1 583 58 58 GLN CB C 28.287 0.547 1 584 58 58 GLN CG C 32.823 0.456 1 585 58 58 GLN N N 118.473 0.0585 1 586 58 58 GLN NE2 N 112.077 0.0585 1 587 59 59 THR H H 7.850 0.007 1 588 59 59 THR C C 175.756 0.456 1 589 59 59 THR CA C 62.560 0.547 1 590 59 59 THR CB C 69.069 0.547 1 591 59 59 THR N N 112.499 0.0585 1 592 60 60 LYS H H 7.996 0.007 1 593 60 60 LYS HA H 4.173 0.007 1 594 60 60 LYS HB2 H 1.804 0.007 2 595 60 60 LYS HB3 H 1.754 0.007 2 596 60 60 LYS HG2 H 1.403 0.007 2 597 60 60 LYS HG3 H 1.350 0.007 2 598 60 60 LYS HD2 H 1.608 0.007 2 599 60 60 LYS HD3 H 1.565 0.007 2 600 60 60 LYS HE2 H 3.291 0.007 2 601 60 60 LYS HE3 H 3.257 0.007 2 602 60 60 LYS C C 173.980 0.456 1 603 60 60 LYS CA C 57.072 0.547 1 604 60 60 LYS CB C 31.963 0.547 1 605 60 60 LYS CG C 24.621 0.456 1 606 60 60 LYS CD C 28.548 0.456 1 607 60 60 LYS CE C 41.983 0.456 1 608 60 60 LYS N N 121.017 0.0585 1 609 61 61 GLN H H 7.972 0.007 1 610 61 61 GLN HA H 4.224 0.007 1 611 61 61 GLN HB2 H 2.059 0.007 2 612 61 61 GLN HB3 H 1.999 0.007 2 613 61 61 GLN HG2 H 2.307 0.007 2 614 61 61 GLN HG3 H 2.280 0.007 2 615 61 61 GLN HE21 H 7.477 0.007 1 616 61 61 GLN HE22 H 6.853 0.007 1 617 61 61 GLN C C 175.269 0.456 1 618 61 61 GLN CA C 55.909 0.547 1 619 61 61 GLN CB C 28.708 0.547 1 620 61 61 GLN CG C 33.481 0.456 1 621 61 61 GLN N N 118.273 0.0585 1 622 61 61 GLN NE2 N 111.469 0.0585 1 623 62 62 ALA H H 8.114 0.007 1 624 62 62 ALA HA H 4.183 0.007 1 625 62 62 ALA HB H 1.352 0.007 1 626 62 62 ALA C C 173.179 0.456 1 627 62 62 ALA CA C 52.710 0.547 1 628 62 62 ALA CB C 18.273 0.547 1 629 62 62 ALA N N 123.361 0.0585 1 630 63 63 LEU H H 7.953 0.007 1 631 63 63 LEU HA H 4.185 0.007 1 632 63 63 LEU HB2 H 1.527 0.007 2 633 63 63 LEU HB3 H 1.491 0.007 2 634 63 63 LEU HG H 1.535 0.007 1 635 63 63 LEU HD1 H 0.838 0.007 2 636 63 63 LEU HD2 H 0.771 0.007 2 637 63 63 LEU C C 173.625 0.456 1 638 63 63 LEU CA C 54.977 0.547 1 639 63 63 LEU CB C 41.787 0.547 1 640 63 63 LEU CG C 26.692 0.456 1 641 63 63 LEU CD1 C 24.526 0.456 2 642 63 63 LEU CD2 C 23.184 0.456 2 643 63 63 LEU N N 119.154 0.0585 1 644 64 64 TYR H H 8.018 0.007 1 645 64 64 TYR HA H 4.457 0.007 1 646 64 64 TYR HB2 H 2.755 0.007 2 647 64 64 TYR HB3 H 2.788 0.007 2 648 64 64 TYR HD1 H 6.957 0.007 1 649 64 64 TYR HD2 H 6.957 0.007 1 650 64 64 TYR HE1 H 6.677 0.007 1 651 64 64 TYR HE2 H 6.677 0.007 1 652 64 64 TYR C C 175.220 0.456 1 653 64 64 TYR CA C 57.649 0.547 1 654 64 64 TYR CB C 37.965 0.547 1 655 64 64 TYR N N 119.705 0.0585 1 656 65 65 ASN H H 8.244 0.007 1 657 65 65 ASN HA H 4.640 0.007 1 658 65 65 ASN HB2 H 2.752 0.007 2 659 65 65 ASN HB3 H 2.691 0.007 2 660 65 65 ASN HD21 H 6.880 0.007 1 661 65 65 ASN HD22 H 7.546 0.007 1 662 65 65 ASN C C 175.442 0.456 1 663 65 65 ASN CA C 52.736 0.547 1 664 65 65 ASN CB C 38.265 0.547 1 665 65 65 ASN N N 120.449 0.0585 1 666 65 65 ASN ND2 N 112.003 0.0585 1 667 66 66 GLY H H 7.804 0.007 1 668 66 66 GLY HA2 H 3.869 0.007 2 669 66 66 GLY HA3 H 3.824 0.007 2 670 66 66 GLY C C 177.141 0.456 1 671 66 66 GLY CA C 45.038 0.547 1 672 66 66 GLY N N 108.635 0.0585 1 673 67 67 ALA H H 7.946 0.007 1 674 67 67 ALA HA H 4.333 0.007 1 675 67 67 ALA HB H 1.277 0.007 1 676 67 67 ALA C C 173.917 0.456 1 677 67 67 ALA CA C 51.921 0.547 1 678 67 67 ALA CB C 19.048 0.547 1 679 67 67 ALA N N 123.199 0.0585 1 680 68 68 THR H H 8.185 0.007 1 681 68 68 THR HA H 4.529 0.007 1 682 68 68 THR HB H 4.069 0.007 1 683 68 68 THR HG2 H 1.131 0.007 1 684 68 68 THR C C 178.592 0.456 1 685 68 68 THR CA C 59.241 0.547 1 686 68 68 THR CB C 69.363 0.547 1 687 68 68 THR CG2 C 20.432 0.456 1 688 68 68 THR N N 116.432 0.0585 1 689 70 70 ILE CA C 60.298 0.547 1 690 70 70 ILE CB C 38.202 0.547 1 691 71 71 SER H H 8.237 0.007 1 692 71 71 SER HA H 6.173 0.007 1 693 71 71 SER HB2 H 3.801 0.007 2 694 71 71 SER HB3 H 3.720 0.007 2 695 71 71 SER C C 177.000 0.456 1 696 71 71 SER CA C 57.032 0.547 1 697 71 71 SER CB C 67.562 0.547 1 698 71 71 SER N N 116.868 0.0585 1 699 72 72 PHE H H 8.743 0.007 1 700 72 72 PHE HA H 5.111 0.007 1 701 72 72 PHE HB2 H 3.265 0.007 2 702 72 72 PHE HB3 H 3.297 0.007 2 703 72 72 PHE HD1 H 6.926 0.007 1 704 72 72 PHE HD2 H 6.926 0.007 1 705 72 72 PHE HE1 H 6.343 0.007 1 706 72 72 PHE HE2 H 6.343 0.007 1 707 72 72 PHE HZ H 5.887 0.007 1 708 72 72 PHE C C 178.285 0.456 1 709 72 72 PHE CA C 57.078 0.547 1 710 72 72 PHE CB C 41.274 0.547 1 711 72 72 PHE N N 117.791 0.0585 1 712 73 73 THR H H 8.756 0.007 1 713 73 73 THR HA H 5.503 0.007 1 714 73 73 THR HB H 3.964 0.007 1 715 73 73 THR HG2 H 1.049 0.007 1 716 73 73 THR C C 177.702 0.456 1 717 73 73 THR CA C 60.405 0.547 1 718 73 73 THR CB C 70.384 0.547 1 719 73 73 THR CG2 C 20.697 0.456 1 720 73 73 THR N N 115.934 0.0585 1 721 74 74 ALA H H 9.427 0.007 1 722 74 74 ALA HA H 5.074 0.007 1 723 74 74 ALA HB H 1.699 0.007 1 724 74 74 ALA C C 175.786 0.456 1 725 74 74 ALA CA C 50.434 0.547 1 726 74 74 ALA CB C 23.740 0.547 1 727 74 74 ALA N N 128.061 0.0585 1 728 75 75 THR H H 8.506 0.007 1 729 75 75 THR HA H 4.933 0.007 1 730 75 75 THR HB H 3.905 0.007 1 731 75 75 THR HG2 H 1.118 0.007 1 732 75 75 THR C C 176.975 0.456 1 733 75 75 THR CA C 61.503 0.547 1 734 75 75 THR CB C 69.761 0.547 1 735 75 75 THR CG2 C 20.910 0.456 1 736 75 75 THR N N 116.017 0.0585 1 737 76 76 VAL H H 9.202 0.007 1 738 76 76 VAL HA H 4.046 0.007 1 739 76 76 VAL HB H 2.203 0.007 1 740 76 76 VAL HG1 H 0.810 0.007 2 741 76 76 VAL HG2 H 0.779 0.007 2 742 76 76 VAL C C 172.550 0.456 1 743 76 76 VAL CA C 63.086 0.547 1 744 76 76 VAL CB C 31.905 0.547 1 745 76 76 VAL CG1 C 23.095 0.456 2 746 76 76 VAL CG2 C 22.698 0.456 2 747 76 76 VAL N N 128.350 0.0585 1 748 77 77 THR H H 9.073 0.007 1 749 77 77 THR HA H 4.238 0.007 1 750 77 77 THR HB H 4.112 0.007 1 751 77 77 THR HG2 H 1.173 0.007 1 752 77 77 THR C C 176.484 0.456 1 753 77 77 THR CA C 63.097 0.547 1 754 77 77 THR CB C 68.613 0.547 1 755 77 77 THR CG2 C 21.078 0.456 1 756 77 77 THR N N 120.092 0.0585 1 757 78 78 ALA H H 7.062 0.007 1 758 78 78 ALA HA H 4.546 0.007 1 759 78 78 ALA HB H 1.342 0.007 1 760 78 78 ALA C C 176.483 0.456 1 761 78 78 ALA CA C 51.057 0.547 1 762 78 78 ALA CB C 21.340 0.547 1 763 78 78 ALA N N 123.162 0.0585 1 764 79 79 ASP H H 8.702 0.007 1 765 79 79 ASP HA H 4.560 0.007 1 766 79 79 ASP HB2 H 2.630 0.007 2 767 79 79 ASP HB3 H 2.590 0.007 2 768 79 79 ASP C C 175.290 0.456 1 769 79 79 ASP CA C 54.442 0.547 1 770 79 79 ASP CB C 40.154 0.547 1 771 79 79 ASP N N 121.868 0.0585 1 772 80 80 ALA H H 9.186 0.007 1 773 80 80 ALA HA H 4.799 0.007 1 774 80 80 ALA HB H 1.363 0.007 1 775 80 80 ALA C C 175.193 0.456 1 776 80 80 ALA CA C 50.528 0.547 1 777 80 80 ALA CB C 23.179 0.547 1 778 80 80 ALA N N 124.490 0.0585 1 779 81 81 ASN H H 9.068 0.007 1 780 81 81 ASN HA H 5.418 0.007 1 781 81 81 ASN HB2 H 2.994 0.007 2 782 81 81 ASN HB3 H 2.814 0.007 2 783 81 81 ASN HD21 H 7.247 0.007 1 784 81 81 ASN HD22 H 7.124 0.007 1 785 81 81 ASN C C 175.268 0.456 1 786 81 81 ASN CA C 50.953 0.547 1 787 81 81 ASN CB C 39.052 0.547 1 788 81 81 ASN N N 120.634 0.0585 1 789 81 81 ASN ND2 N 114.199 0.0585 1 790 82 82 SER H H 9.285 0.007 1 791 82 82 SER HA H 5.195 0.007 1 792 82 82 SER HB2 H 3.801 0.007 1 793 82 82 SER HB3 H 2.988 0.007 1 794 82 82 SER C C 176.473 0.456 1 795 82 82 SER CA C 54.898 0.547 1 796 82 82 SER CB C 65.315 0.547 1 797 82 82 SER N N 118.110 0.0585 1 798 83 83 ASP H H 8.801 0.007 1 799 83 83 ASP HA H 4.839 0.007 1 800 83 83 ASP HB2 H 2.756 0.007 2 801 83 83 ASP HB3 H 2.735 0.007 2 802 83 83 ASP C C 170.878 0.456 1 803 83 83 ASP CA C 51.601 0.547 1 804 83 83 ASP CB C 41.617 0.547 1 805 83 83 ASP N N 122.136 0.0585 1 806 84 84 SER H H 8.553 0.007 1 807 84 84 SER HA H 4.276 0.007 1 808 84 84 SER HB2 H 3.798 0.007 2 809 84 84 SER HB3 H 3.969 0.007 2 810 84 84 SER C C 176.070 0.456 1 811 84 84 SER CA C 60.446 0.547 1 812 84 84 SER CB C 62.026 0.547 1 813 84 84 SER N N 114.564 0.0585 1 814 85 85 GLY H H 8.364 0.007 1 815 85 85 GLY HA2 H 4.376 0.007 2 816 85 85 GLY HA3 H 4.417 0.007 2 817 85 85 GLY C C 175.838 0.456 1 818 85 85 GLY CA C 44.050 0.547 1 819 85 85 GLY N N 110.091 0.0585 1 820 86 86 GLY H H 7.983 0.007 1 821 86 86 GLY HA2 H 4.184 0.007 2 822 86 86 GLY HA3 H 4.226 0.007 2 823 86 86 GLY C C 175.486 0.456 1 824 86 86 GLY CA C 45.726 0.547 1 825 86 86 GLY N N 108.392 0.0585 1 826 87 87 ASP H H 8.220 0.007 1 827 87 87 ASP HA H 5.627 0.007 1 828 87 87 ASP HB2 H 3.010 0.007 2 829 87 87 ASP HB3 H 2.236 0.007 2 830 87 87 ASP C C 174.099 0.456 1 831 87 87 ASP CA C 52.117 0.547 1 832 87 87 ASP CB C 40.263 0.547 1 833 87 87 ASP N N 120.454 0.0585 1 834 88 88 VAL H H 9.016 0.007 1 835 88 88 VAL HA H 4.529 0.007 1 836 88 88 VAL HB H 1.440 0.007 1 837 88 88 VAL HG1 H 0.653 0.007 2 838 88 88 VAL HG2 H 0.744 0.007 2 839 88 88 VAL C C 178.214 0.456 1 840 88 88 VAL CA C 59.351 0.547 1 841 88 88 VAL CB C 34.596 0.547 1 842 88 88 VAL CG1 C 21.703 0.456 2 843 88 88 VAL CG2 C 19.531 0.456 2 844 88 88 VAL N N 118.709 0.0585 1 845 89 89 THR H H 9.319 0.007 1 846 89 89 THR HA H 5.088 0.007 1 847 89 89 THR HB H 3.909 0.007 1 848 89 89 THR HG2 H 1.049 0.007 1 849 89 89 THR C C 178.009 0.456 1 850 89 89 THR CA C 62.503 0.547 1 851 89 89 THR CB C 68.722 0.547 1 852 89 89 THR CG2 C 20.813 0.456 1 853 89 89 THR N N 129.171 0.0585 1 854 90 90 VAL H H 9.124 0.007 1 855 90 90 VAL HA H 4.838 0.007 1 856 90 90 VAL HB H 1.689 0.007 1 857 90 90 VAL HG1 H 0.969 0.007 2 858 90 90 VAL HG2 H 0.860 0.007 2 859 90 90 VAL C C 178.845 0.456 1 860 90 90 VAL CA C 58.123 0.547 1 861 90 90 VAL CB C 35.778 0.547 1 862 90 90 VAL CG1 C 22.716 0.456 2 863 90 90 VAL CG2 C 19.973 0.456 2 864 90 90 VAL N N 126.312 0.0585 1 865 91 91 THR H H 9.135 0.007 1 866 91 91 THR HA H 5.112 0.007 1 867 91 91 THR HB H 3.686 0.007 1 868 91 91 THR HG2 H 0.910 0.007 1 869 91 91 THR C C 177.950 0.456 1 870 91 91 THR CA C 61.441 0.547 1 871 91 91 THR CB C 69.578 0.547 1 872 91 91 THR CG2 C 21.027 0.456 1 873 91 91 THR N N 123.656 0.0585 1 874 92 92 LEU H H 9.264 0.007 1 875 92 92 LEU HA H 5.124 0.007 1 876 92 92 LEU HB2 H 1.155 0.007 2 877 92 92 LEU HB3 H 0.163 0.007 2 878 92 92 LEU HG H 0.667 0.007 1 879 92 92 LEU HD1 H 0.665 0.007 2 880 92 92 LEU HD2 H 0.745 0.007 2 881 92 92 LEU C C 175.601 0.456 1 882 92 92 LEU CA C 52.249 0.547 1 883 92 92 LEU CB C 42.969 0.547 1 884 92 92 LEU CG C 27.578 0.456 1 885 92 92 LEU CD1 C 26.342 0.456 2 886 92 92 LEU CD2 C 26.155 0.456 2 887 92 92 LEU N N 129.360 0.0585 1 888 93 93 SER H H 8.442 0.007 1 889 93 93 SER HA H 4.407 0.007 1 890 93 93 SER HB2 H 3.971 0.007 2 891 93 93 SER HB3 H 3.943 0.007 2 892 93 93 SER C C 176.374 0.456 1 893 93 93 SER CA C 58.207 0.547 1 894 93 93 SER CB C 63.740 0.547 1 895 93 93 SER N N 113.852 0.0585 1 896 94 94 GLY H H 8.417 0.007 1 897 94 94 GLY HA2 H 4.145 0.007 2 898 94 94 GLY HA3 H 4.100 0.007 2 899 94 94 GLY C C 179.782 0.456 1 900 94 94 GLY CA C 44.227 0.547 1 901 94 94 GLY N N 112.777 0.0585 1 902 95 95 VAL H H 7.610 0.007 1 903 95 95 VAL HA H 4.494 0.007 1 904 95 95 VAL HB H 1.577 0.007 1 905 95 95 VAL HG1 H 0.406 0.007 2 906 95 95 VAL HG2 H 0.497 0.007 2 907 95 95 VAL C C 174.859 0.456 1 908 95 95 VAL CA C 56.538 0.547 1 909 95 95 VAL CB C 32.416 0.547 1 910 95 95 VAL CG1 C 21.794 0.456 2 911 95 95 VAL CG2 C 18.449 0.456 2 912 95 95 VAL N N 108.859 0.0585 1 913 96 96 PRO HA H 3.476 0.007 1 914 96 96 PRO C C 178.065 0.456 1 915 96 96 PRO CA C 61.346 0.547 1 916 96 96 PRO CB C 25.205 0.547 1 917 97 97 ILE H H 6.438 0.007 1 918 97 97 ILE HA H 4.072 0.007 1 919 97 97 ILE HB H 1.164 0.007 1 920 97 97 ILE HG12 H 0.927 0.007 2 921 97 97 ILE HG13 H 0.570 0.007 2 922 97 97 ILE HG2 H 0.550 0.007 1 923 97 97 ILE HD1 H 0.466 0.007 1 924 97 97 ILE C C 176.917 0.456 1 925 97 97 ILE CA C 58.211 0.547 1 926 97 97 ILE CB C 40.142 0.547 1 927 97 97 ILE CG1 C 26.631 0.456 1 928 97 97 ILE CG2 C 16.919 0.456 1 929 97 97 ILE N N 119.924 0.0585 1 930 98 98 TYR H H 8.207 0.007 1 931 98 98 TYR HA H 4.708 0.007 1 932 98 98 TYR HB2 H 2.842 0.007 1 933 98 98 TYR HD1 H 6.804 0.007 1 934 98 98 TYR HD2 H 6.804 0.007 1 935 98 98 TYR HE1 H 7.082 0.007 1 936 98 98 TYR HE2 H 7.082 0.007 1 937 98 98 TYR C C 175.611 0.456 1 938 98 98 TYR CA C 58.176 0.547 1 939 98 98 TYR CB C 38.593 0.547 1 940 98 98 TYR N N 121.187 0.0585 1 941 99 99 ASP H H 8.218 0.007 1 942 99 99 ASP HA H 4.679 0.007 1 943 99 99 ASP HB2 H 2.742 0.007 2 944 99 99 ASP HB3 H 2.576 0.007 2 945 99 99 ASP C C 175.126 0.456 1 946 99 99 ASP CA C 53.441 0.547 1 947 99 99 ASP CB C 41.204 0.547 1 948 99 99 ASP N N 121.205 0.0585 1 949 100 100 THR H H 8.200 0.007 1 950 100 100 THR HA H 4.386 0.007 1 951 100 100 THR HB H 4.237 0.007 1 952 100 100 THR HG2 H 0.963 0.007 1 953 100 100 THR C C 176.623 0.456 1 954 100 100 THR CA C 60.489 0.547 1 955 100 100 THR CB C 68.365 0.547 1 956 100 100 THR CG2 C 20.315 0.456 1 957 100 100 THR N N 115.093 0.0585 1 958 101 101 THR H H 8.215 0.007 1 959 101 101 THR HA H 4.257 0.007 1 960 101 101 THR HB H 4.256 0.007 1 961 101 101 THR HG2 H 0.913 0.007 1 962 101 101 THR C C 176.506 0.456 1 963 101 101 THR CA C 62.135 0.547 1 964 101 101 THR CB C 68.863 0.547 1 965 101 101 THR CG2 C 20.712 0.456 1 966 101 101 THR N N 115.077 0.0585 1 967 102 102 ASN H H 8.352 0.007 1 968 102 102 ASN HA H 4.866 0.007 1 969 102 102 ASN HB2 H 2.791 0.007 2 970 102 102 ASN HB3 H 2.696 0.007 2 971 102 102 ASN HD21 H 7.032 0.007 1 972 102 102 ASN HD22 H 7.708 0.007 1 973 102 102 ASN C C 176.944 0.456 1 974 102 102 ASN CA C 51.077 0.547 1 975 102 102 ASN CB C 38.757 0.547 1 976 102 102 ASN N N 122.075 0.0585 1 977 102 102 ASN ND2 N 112.365 0.0585 1 978 103 103 PRO HA H 4.349 0.007 1 979 103 103 PRO HB2 H 2.247 0.007 2 980 103 103 PRO HB3 H 1.901 0.007 2 981 103 103 PRO HG2 H 1.961 0.007 2 982 103 103 PRO HG3 H 1.895 0.007 2 983 103 103 PRO HD2 H 3.813 0.007 2 984 103 103 PRO HD3 H 3.720 0.007 2 985 103 103 PRO C C 173.657 0.456 1 986 103 103 PRO CA C 63.644 0.547 1 987 103 103 PRO CB C 31.513 0.547 1 988 103 103 PRO CG C 27.062 0.456 1 989 103 103 PRO CD C 50.564 0.456 1 990 104 104 GLN H H 8.346 0.007 1 991 104 104 GLN HA H 4.154 0.007 1 992 104 104 GLN HB2 H 1.843 0.007 2 993 104 104 GLN HB3 H 1.799 0.007 2 994 104 104 GLN HG2 H 2.101 0.007 2 995 104 104 GLN HG3 H 2.155 0.007 2 996 104 104 GLN HE21 H 6.967 0.007 1 997 104 104 GLN C C 174.847 0.456 1 998 104 104 GLN CA C 56.227 0.547 1 999 104 104 GLN CB C 28.707 0.547 1 1000 104 104 GLN CG C 33.607 0.456 1 1001 104 104 GLN N N 117.722 0.0585 1 1002 104 104 GLN NE2 N 112.459 0.0585 1 1003 105 105 TYR H H 7.875 0.007 1 1004 105 105 TYR HA H 4.471 0.007 1 1005 105 105 TYR HB2 H 2.739 0.007 2 1006 105 105 TYR HB3 H 2.775 0.007 2 1007 105 105 TYR HD1 H 6.932 0.007 1 1008 105 105 TYR HD2 H 6.932 0.007 1 1009 105 105 TYR HE1 H 6.701 0.007 1 1010 105 105 TYR HE2 H 6.701 0.007 1 1011 105 105 TYR C C 175.529 0.456 1 1012 105 105 TYR CA C 57.223 0.547 1 1013 105 105 TYR CB C 37.963 0.547 1 1014 105 105 TYR N N 118.743 0.0585 1 1015 106 106 ASN H H 8.026 0.007 1 1016 106 106 ASN HA H 4.572 0.007 1 1017 106 106 ASN HB2 H 2.802 0.007 2 1018 106 106 ASN HB3 H 2.833 0.007 2 1019 106 106 ASN HD21 H 7.724 0.007 1 1020 106 106 ASN HD22 H 7.019 0.007 1 1021 106 106 ASN C C 175.969 0.456 1 1022 106 106 ASN CA C 53.140 0.547 1 1023 106 106 ASN CB C 37.952 0.547 1 1024 106 106 ASN N N 119.367 0.0585 1 1025 106 106 ASN ND2 N 113.267 0.0585 1 1026 107 107 SER H H 8.076 0.007 1 1027 107 107 SER HA H 4.332 0.007 1 1028 107 107 SER HB2 H 3.832 0.007 2 1029 107 107 SER HB3 H 3.781 0.007 2 1030 107 107 SER C C 176.790 0.456 1 1031 107 107 SER CA C 58.231 0.547 1 1032 107 107 SER CB C 63.167 0.547 1 1033 107 107 SER N N 114.164 0.0585 1 1034 108 108 VAL H H 7.886 0.007 1 1035 108 108 VAL HA H 4.117 0.007 1 1036 108 108 VAL HB H 2.057 0.007 1 1037 108 108 VAL HG1 H 0.830 0.007 2 1038 108 108 VAL HG2 H 0.722 0.007 2 1039 108 108 VAL C C 175.158 0.456 1 1040 108 108 VAL CA C 61.507 0.547 1 1041 108 108 VAL CB C 32.487 0.547 1 1042 108 108 VAL CG1 C 21.021 0.456 2 1043 108 108 VAL CG2 C 20.203 0.456 2 1044 108 108 VAL N N 120.199 0.0585 1 1045 109 109 SER H H 8.276 0.007 1 1046 109 109 SER HA H 4.435 0.007 1 1047 109 109 SER HB2 H 3.763 0.007 2 1048 109 109 SER HB3 H 3.683 0.007 2 1049 109 109 SER C C 176.990 0.456 1 1050 109 109 SER CA C 57.975 0.547 1 1051 109 109 SER CB C 63.300 0.547 1 1052 109 109 SER N N 119.364 0.0585 1 1053 110 110 ARG H H 8.556 0.007 1 1054 110 110 ARG HA H 4.420 0.007 1 1055 110 110 ARG HB2 H 1.614 0.007 2 1056 110 110 ARG HB3 H 1.877 0.007 2 1057 110 110 ARG C C 176.390 0.456 1 1058 110 110 ARG CA C 55.398 0.547 1 1059 110 110 ARG CB C 30.970 0.547 1 1060 110 110 ARG N N 123.265 0.0585 1 1061 111 111 GLN H H 6.887 0.007 1 1062 111 111 GLN HA H 4.930 0.007 1 1063 111 111 GLN HB2 H 1.787 0.007 2 1064 111 111 GLN HB3 H 1.949 0.007 2 1065 111 111 GLN HG2 H 2.176 0.007 2 1066 111 111 GLN HG3 H 2.207 0.007 2 1067 111 111 GLN HE21 H 6.892 0.007 1 1068 111 111 GLN HE22 H 7.299 0.007 1 1069 111 111 GLN C C 175.775 0.456 1 1070 111 111 GLN CA C 53.412 0.547 1 1071 111 111 GLN CB C 31.418 0.547 1 1072 111 111 GLN CG C 33.456 0.456 1 1073 111 111 GLN N N 120.434 0.0585 1 1074 111 111 GLN NE2 N 112.220 0.0585 1 1075 112 112 VAL H H 7.397 0.007 1 1076 112 112 VAL HA H 4.335 0.007 1 1077 112 112 VAL HB H 2.098 0.007 1 1078 112 112 VAL HG1 H 0.927 0.007 2 1079 112 112 VAL HG2 H 0.855 0.007 2 1080 112 112 VAL C C 176.535 0.456 1 1081 112 112 VAL CA C 63.428 0.547 1 1082 112 112 VAL CB C 31.981 0.547 1 1083 112 112 VAL CG1 C 22.135 0.456 2 1084 112 112 VAL CG2 C 20.990 0.456 2 1085 112 112 VAL N N 119.602 0.0585 1 1086 113 113 GLU H H 8.588 0.007 1 1087 113 113 GLU HA H 4.657 0.007 1 1088 113 113 GLU HB2 H 1.832 0.007 2 1089 113 113 GLU HB3 H 1.979 0.007 2 1090 113 113 GLU HG2 H 2.411 0.007 2 1091 113 113 GLU HG3 H 2.382 0.007 2 1092 113 113 GLU C C 175.519 0.456 1 1093 113 113 GLU CA C 53.194 0.547 1 1094 113 113 GLU CB C 33.292 0.547 1 1095 113 113 GLU CG C 35.049 0.456 1 1096 113 113 GLU N N 126.658 0.0585 1 1097 114 114 ALA H H 8.607 0.007 1 1098 114 114 ALA HA H 3.678 0.007 1 1099 114 114 ALA HB H 1.131 0.007 1 1100 114 114 ALA C C 172.773 0.456 1 1101 114 114 ALA CA C 53.200 0.547 1 1102 114 114 ALA CB C 17.121 0.547 1 1103 114 114 ALA N N 122.339 0.0585 1 1104 115 115 GLY H H 9.169 0.007 1 1105 115 115 GLY HA2 H 4.482 0.007 2 1106 115 115 GLY HA3 H 4.373 0.007 2 1107 115 115 GLY C C 174.879 0.456 1 1108 115 115 GLY CA C 44.280 0.547 1 1109 115 115 GLY N N 111.620 0.0585 1 1110 116 116 ASP H H 8.261 0.007 1 1111 116 116 ASP HA H 5.076 0.007 1 1112 116 116 ASP HB2 H 2.972 0.007 2 1113 116 116 ASP HB3 H 3.032 0.007 2 1114 116 116 ASP C C 176.558 0.456 1 1115 116 116 ASP CA C 55.798 0.547 1 1116 116 116 ASP CB C 40.753 0.547 1 1117 116 116 ASP N N 124.438 0.0585 1 1118 117 117 ALA H H 7.947 0.007 1 1119 117 117 ALA HA H 4.948 0.007 1 1120 117 117 ALA HB H 1.459 0.007 1 1121 117 117 ALA C C 173.923 0.456 1 1122 117 117 ALA CA C 51.359 0.547 1 1123 117 117 ALA CB C 21.249 0.547 1 1124 117 117 ALA N N 123.923 0.0585 1 1125 118 118 VAL H H 8.582 0.007 1 1126 118 118 VAL HA H 5.058 0.007 1 1127 118 118 VAL HB H 1.453 0.007 1 1128 118 118 VAL HG1 H 0.341 0.007 2 1129 118 118 VAL HG2 H 0.220 0.007 2 1130 118 118 VAL C C 176.365 0.456 1 1131 118 118 VAL CA C 59.471 0.547 1 1132 118 118 VAL CB C 34.352 0.547 1 1133 118 118 VAL CG1 C 22.763 0.456 2 1134 118 118 VAL CG2 C 20.885 0.456 2 1135 118 118 VAL N N 120.059 0.0585 1 1136 119 119 SER H H 8.736 0.007 1 1137 119 119 SER HA H 4.941 0.007 1 1138 119 119 SER HB2 H 3.754 0.007 2 1139 119 119 SER HB3 H 3.650 0.007 2 1140 119 119 SER C C 178.045 0.456 1 1141 119 119 SER CA C 55.732 0.547 1 1142 119 119 SER CB C 65.436 0.547 1 1143 119 119 SER N N 119.758 0.0585 1 1144 120 120 VAL H H 9.341 0.007 1 1145 120 120 VAL HA H 4.281 0.007 1 1146 120 120 VAL HB H 2.136 0.007 1 1147 120 120 VAL HG1 H 0.854 0.007 2 1148 120 120 VAL HG2 H 0.859 0.007 2 1149 120 120 VAL C C 174.406 0.456 1 1150 120 120 VAL CA C 62.909 0.547 1 1151 120 120 VAL CB C 31.273 0.547 1 1152 120 120 VAL CG1 C 21.053 0.456 2 1153 120 120 VAL CG2 C 21.784 0.456 2 1154 120 120 VAL N N 124.891 0.0585 1 1155 121 121 VAL H H 8.537 0.007 1 1156 121 121 VAL HA H 4.274 0.007 1 1157 121 121 VAL HB H 2.122 0.007 1 1158 121 121 VAL HG1 H 0.855 0.007 2 1159 121 121 VAL HG2 H 0.732 0.007 2 1160 121 121 VAL C C 174.841 0.456 1 1161 121 121 VAL CA C 61.487 0.547 1 1162 121 121 VAL CB C 32.470 0.547 1 1163 121 121 VAL CG1 C 21.515 0.456 2 1164 121 121 VAL CG2 C 19.768 0.456 2 1165 121 121 VAL N N 124.163 0.0585 1 1166 122 122 GLY H H 8.093 0.007 1 1167 122 122 GLY HA2 H 4.068 0.007 2 1168 122 122 GLY HA3 H 3.974 0.007 2 1169 122 122 GLY C C 174.948 0.456 1 1170 122 122 GLY CA C 45.200 0.547 1 1171 122 122 GLY N N 110.989 0.0585 1 1172 123 123 THR H H 8.268 0.007 1 1173 123 123 THR HA H 4.669 0.007 1 1174 123 123 THR HB H 4.204 0.007 1 1175 123 123 THR HG2 H 1.079 0.007 1 1176 123 123 THR C C 176.541 0.456 1 1177 123 123 THR CA C 60.189 0.547 1 1178 123 123 THR CB C 70.134 0.547 1 1179 123 123 THR CG2 C 20.342 0.456 1 1180 123 123 THR N N 113.927 0.0585 1 1181 124 124 ALA H H 8.700 0.007 1 1182 124 124 ALA HA H 4.167 0.007 1 1183 124 124 ALA HB H 1.331 0.007 1 1184 124 124 ALA C C 172.872 0.456 1 1185 124 124 ALA CA C 52.750 0.547 1 1186 124 124 ALA CB C 18.768 0.547 1 1187 124 124 ALA N N 126.163 0.0585 1 stop_ save_