data_27162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignments of the EVH1-domain of Neurofibromin's recruitment factor Spred1 ; _BMRB_accession_number 27162 _BMRB_flat_file_name bmr27162.str _Entry_type original _Submission_date 2017-06-26 _Accession_date 2017-06-26 _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 Fuehrer Sebastian . . 2 Ahammer Linda . . 3 Ausserbichler Angela . . 4 Scheffzek Klaus . . 5 Dunzendorfer-Matt Theresia . . 6 Tollinger Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 617 "13C chemical shifts" 461 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-01 update BMRB 'update entry citation' 2017-09-29 original author 'original release' stop_ _Original_release_date 2017-06-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the EVH1 domain of neurofibromin's recruitment factor Spred1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28831766 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fuehrer Sebastian . . 2 Ahammer Linda . . 3 Ausserbichler Angela . . 4 Scheffzek Klaus . . 5 Dunzendorfer-Matt Theresia . . 6 Tollinger Martin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 305 _Page_last 308 _Year 2017 _Details . loop_ _Keyword 'Legius syndrome' Spred1-EVH1 'recruitment factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Spred1-EVH1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Spred1-EVH1 $Spred1-EVH1 stop_ _System_molecular_weight 13500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Spred1-EVH1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Spred1-EVH1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MGSYARVRAVVMTRDDSSGG WLPLGGSGLSSVTVFKVPHQ EENGCADFFIRGERLRDKMV VLECMLKKDLIYNKVTPTFH HWKIDDKKFGLTFQSPADAR AFDRGIRRAIEDISQGCPES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 0 GLY 3 13 SER 4 14 TYR 5 15 ALA 6 16 ARG 7 17 VAL 8 18 ARG 9 19 ALA 10 20 VAL 11 21 VAL 12 22 MET 13 23 THR 14 24 ARG 15 25 ASP 16 26 ASP 17 27 SER 18 28 SER 19 29 GLY 20 30 GLY 21 31 TRP 22 32 LEU 23 33 PRO 24 34 LEU 25 35 GLY 26 36 GLY 27 37 SER 28 38 GLY 29 39 LEU 30 40 SER 31 41 SER 32 42 VAL 33 43 THR 34 44 VAL 35 45 PHE 36 46 LYS 37 47 VAL 38 48 PRO 39 49 HIS 40 50 GLN 41 51 GLU 42 52 GLU 43 53 ASN 44 54 GLY 45 55 CYS 46 56 ALA 47 57 ASP 48 58 PHE 49 59 PHE 50 60 ILE 51 61 ARG 52 62 GLY 53 63 GLU 54 64 ARG 55 65 LEU 56 66 ARG 57 67 ASP 58 68 LYS 59 69 MET 60 70 VAL 61 71 VAL 62 72 LEU 63 73 GLU 64 74 CYS 65 75 MET 66 76 LEU 67 77 LYS 68 78 LYS 69 79 ASP 70 80 LEU 71 81 ILE 72 82 TYR 73 83 ASN 74 84 LYS 75 85 VAL 76 86 THR 77 87 PRO 78 88 THR 79 89 PHE 80 90 HIS 81 91 HIS 82 92 TRP 83 93 LYS 84 94 ILE 85 95 ASP 86 96 ASP 87 97 LYS 88 98 LYS 89 99 PHE 90 100 GLY 91 101 LEU 92 102 THR 93 103 PHE 94 104 GLN 95 105 SER 96 106 PRO 97 107 ALA 98 108 ASP 99 109 ALA 100 110 ARG 101 111 ALA 102 112 PHE 103 113 ASP 104 114 ARG 105 115 GLY 106 116 ILE 107 117 ARG 108 118 ARG 109 119 ALA 110 120 ILE 111 121 GLU 112 122 ASP 113 123 ILE 114 124 SER 115 125 GLN 116 126 GLY 117 127 CYS 118 128 PRO 119 129 GLU 120 130 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value NCBI NP_689807.1 Spred1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Spred1-EVH1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Spred1-EVH1 'recombinant technology' . Escherichia coli 'Escherichia coli BL21 Star (DE3)' pET21d 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 $Spred1-EVH1 0.6-0.8 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 Agilent _Model DD2 _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CC)(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CC)(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D (H)CC(CO)NH-TOCSY' '3D H(CC)(CO)NH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Spred1-EVH1 _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 13 3 SER HA H 4.886 0.05 1 2 13 3 SER HB2 H 3.975 0.05 1 3 13 3 SER HB3 H 3.975 0.05 1 4 13 3 SER C C 174.724 0.1 1 5 13 3 SER CA C 58.391 0.15 1 6 13 3 SER CB C 64.365 0.15 1 7 14 4 TYR H H 9.304 0.01 1 8 14 4 TYR HA H 4.456 0.05 1 9 14 4 TYR HB2 H 2.572 0.05 2 10 14 4 TYR HB3 H 2.945 0.05 2 11 14 4 TYR C C 176.351 0.1 1 12 14 4 TYR CA C 58.801 0.15 1 13 14 4 TYR CB C 39.064 0.15 1 14 14 4 TYR N N 122.816 0.05 1 15 15 5 ALA H H 7.626 0.01 1 16 15 5 ALA HA H 4.479 0.05 1 17 15 5 ALA HB H 1.321 0.05 1 18 15 5 ALA C C 175.436 0.1 1 19 15 5 ALA CA C 52.476 0.15 1 20 15 5 ALA CB C 22.760 0.15 1 21 15 5 ALA N N 117.393 0.05 1 22 16 6 ARG H H 8.720 0.01 1 23 16 6 ARG HA H 5.437 0.05 1 24 16 6 ARG HB2 H 1.821 0.05 1 25 16 6 ARG HB3 H 1.821 0.05 1 26 16 6 ARG HG2 H 1.495 0.05 1 27 16 6 ARG HG3 H 1.495 0.05 1 28 16 6 ARG HD2 H 3.139 0.05 1 29 16 6 ARG HD3 H 3.139 0.05 1 30 16 6 ARG C C 174.892 0.1 1 31 16 6 ARG CA C 56.712 0.15 1 32 16 6 ARG CB C 32.339 0.15 1 33 16 6 ARG CG C 26.890 0.2 1 34 16 6 ARG CD C 43.634 0.2 1 35 16 6 ARG N N 121.946 0.05 1 36 17 7 VAL H H 9.158 0.01 1 37 17 7 VAL HA H 4.994 0.05 1 38 17 7 VAL HB H 2.475 0.05 1 39 17 7 VAL HG1 H 1.191 0.05 2 40 17 7 VAL HG2 H 0.927 0.05 2 41 17 7 VAL C C 174.355 0.1 1 42 17 7 VAL CA C 58.927 0.15 1 43 17 7 VAL CB C 36.618 0.15 1 44 17 7 VAL CG1 C 21.943 0.2 2 45 17 7 VAL CG2 C 19.183 0.2 2 46 17 7 VAL N N 118.818 0.05 1 47 18 8 ARG H H 8.847 0.01 1 48 18 8 ARG HA H 5.644 0.05 1 49 18 8 ARG HB2 H 1.842 0.05 1 50 18 8 ARG HB3 H 1.842 0.05 1 51 18 8 ARG HG2 H 1.593 0.05 1 52 18 8 ARG HG3 H 1.593 0.05 1 53 18 8 ARG HD2 H 3.215 0.05 1 54 18 8 ARG HD3 H 3.215 0.05 1 55 18 8 ARG C C 175.491 0.1 1 56 18 8 ARG CA C 54.906 0.15 1 57 18 8 ARG CB C 31.411 0.15 1 58 18 8 ARG CG C 27.853 0.2 1 59 18 8 ARG CD C 43.867 0.2 1 60 18 8 ARG N N 121.254 0.05 1 61 19 9 ALA H H 9.159 0.01 1 62 19 9 ALA HA H 4.674 0.05 1 63 19 9 ALA HB H 0.868 0.05 1 64 19 9 ALA C C 174.814 0.1 1 65 19 9 ALA CA C 51.123 0.15 1 66 19 9 ALA CB C 24.045 0.15 1 67 19 9 ALA N N 124.929 0.05 1 68 20 10 VAL H H 8.454 0.01 1 69 20 10 VAL HA H 4.347 0.05 1 70 20 10 VAL HB H 1.952 0.05 1 71 20 10 VAL HG1 H 0.975 0.05 2 72 20 10 VAL HG2 H 0.929 0.05 2 73 20 10 VAL C C 175.930 0.1 1 74 20 10 VAL CA C 61.939 0.15 1 75 20 10 VAL CB C 33.620 0.15 1 76 20 10 VAL CG1 C 21.438 0.2 2 77 20 10 VAL CG2 C 21.467 0.2 2 78 20 10 VAL N N 120.584 0.05 1 79 21 11 VAL H H 8.443 0.01 1 80 21 11 VAL HA H 4.226 0.05 1 81 21 11 VAL HB H 2.061 0.05 1 82 21 11 VAL HG1 H 1.143 0.05 2 83 21 11 VAL HG2 H 0.845 0.05 2 84 21 11 VAL C C 175.178 0.1 1 85 21 11 VAL CA C 63.349 0.15 1 86 21 11 VAL CB C 31.704 0.15 1 87 21 11 VAL CG1 C 23.044 0.2 2 88 21 11 VAL CG2 C 21.350 0.2 2 89 21 11 VAL N N 127.836 0.05 1 90 22 12 MET H H 8.982 0.01 1 91 22 12 MET HA H 5.490 0.05 1 92 22 12 MET HB2 H 2.388 0.05 1 93 22 12 MET HB3 H 2.388 0.05 1 94 22 12 MET HG2 H 2.547 0.05 1 95 22 12 MET HG3 H 2.547 0.05 1 96 22 12 MET C C 175.348 0.1 1 97 22 12 MET CA C 52.925 0.15 1 98 22 12 MET CB C 35.299 0.15 1 99 22 12 MET CG C 32.051 0.2 1 100 22 12 MET N N 125.703 0.05 1 101 23 13 THR H H 9.588 0.01 1 102 23 13 THR HA H 5.010 0.05 1 103 23 13 THR HB H 4.122 0.05 1 104 23 13 THR HG2 H 1.160 0.05 1 105 23 13 THR C C 171.364 0.1 1 106 23 13 THR CA C 59.657 0.15 1 107 23 13 THR CB C 71.359 0.15 1 108 23 13 THR CG2 C 19.733 0.2 1 109 23 13 THR N N 114.935 0.05 1 110 24 14 ARG H H 7.667 0.01 1 111 24 14 ARG HA H 3.741 0.05 1 112 24 14 ARG HB2 H 0.944 0.05 1 113 24 14 ARG HB3 H 0.944 0.05 1 114 24 14 ARG C C 175.253 0.1 1 115 24 14 ARG CA C 55.019 0.15 1 116 24 14 ARG CB C 30.567 0.15 1 117 24 14 ARG CG C 26.547 0.2 1 118 24 14 ARG CD C 42.479 0.2 1 119 24 14 ARG N N 126.143 0.05 1 120 25 15 ASP H H 8.490 0.01 1 121 25 15 ASP HA H 4.574 0.05 1 122 25 15 ASP HB2 H 2.644 0.05 2 123 25 15 ASP HB3 H 2.378 0.05 2 124 25 15 ASP C C 176.142 0.1 1 125 25 15 ASP CA C 52.889 0.15 1 126 25 15 ASP CB C 42.045 0.15 1 127 25 15 ASP N N 126.298 0.05 1 128 26 16 ASP H H 8.685 0.01 1 129 26 16 ASP HA H 4.788 0.05 1 130 26 16 ASP HB2 H 2.589 0.05 1 131 26 16 ASP HB3 H 2.589 0.05 1 132 26 16 ASP C C 177.487 0.1 1 133 26 16 ASP CA C 56.665 0.15 1 134 26 16 ASP CB C 40.966 0.15 1 135 26 16 ASP N N 125.132 0.05 1 136 27 17 SER H H 8.375 0.01 1 137 27 17 SER HA H 4.783 0.05 1 138 27 17 SER HB2 H 3.932 0.05 2 139 27 17 SER HB3 H 4.302 0.05 2 140 27 17 SER C C 175.298 0.1 1 141 27 17 SER CA C 60.461 0.15 1 142 27 17 SER CB C 62.996 0.15 1 143 27 17 SER N N 114.724 0.05 1 144 28 18 SER H H 7.785 0.01 1 145 28 18 SER HA H 4.499 0.05 1 146 28 18 SER HB2 H 3.862 0.05 1 147 28 18 SER HB3 H 3.862 0.05 1 148 28 18 SER C C 175.784 0.1 1 149 28 18 SER CA C 58.648 0.15 1 150 28 18 SER CB C 65.053 0.15 1 151 28 18 SER N N 114.492 0.05 1 152 29 19 GLY H H 8.181 0.01 1 153 29 19 GLY HA2 H 4.071 0.05 2 154 29 19 GLY HA3 H 3.584 0.05 2 155 29 19 GLY C C 173.838 0.1 1 156 29 19 GLY CA C 45.687 0.15 1 157 29 19 GLY N N 111.683 0.05 1 158 30 20 GLY H H 7.888 0.01 1 159 30 20 GLY HA2 H 4.120 0.05 2 160 30 20 GLY HA3 H 3.696 0.05 2 161 30 20 GLY C C 171.957 0.1 1 162 30 20 GLY CA C 44.364 0.15 1 163 30 20 GLY N N 107.564 0.05 1 164 31 21 TRP H H 8.390 0.01 1 165 31 21 TRP HA H 4.915 0.05 1 166 31 21 TRP HB2 H 2.713 0.05 1 167 31 21 TRP HB3 H 2.713 0.05 1 168 31 21 TRP C C 175.914 0.1 1 169 31 21 TRP CA C 56.531 0.15 1 170 31 21 TRP CB C 31.018 0.15 1 171 31 21 TRP N N 120.619 0.05 1 172 32 22 LEU H H 9.356 0.01 1 173 32 22 LEU HA H 4.929 0.05 1 174 32 22 LEU HB2 H 1.542 0.05 1 175 32 22 LEU HB3 H 1.542 0.05 1 176 32 22 LEU CA C 52.538 0.15 1 177 32 22 LEU CB C 44.462 0.15 1 178 32 22 LEU N N 124.126 0.05 1 179 33 23 PRO HA H 4.635 0.05 1 180 33 23 PRO HB2 H 2.129 0.05 1 181 33 23 PRO HB3 H 2.129 0.05 1 182 33 23 PRO HG2 H 1.818 0.05 1 183 33 23 PRO HG3 H 1.818 0.05 1 184 33 23 PRO C C 177.388 0.1 1 185 33 23 PRO CA C 62.977 0.15 1 186 33 23 PRO CB C 31.814 0.15 1 187 33 23 PRO CG C 26.349 0.2 1 188 33 23 PRO CD C 50.453 0.2 1 189 34 24 LEU H H 8.817 0.01 1 190 34 24 LEU HA H 4.308 0.05 1 191 34 24 LEU HB2 H 1.692 0.05 1 192 34 24 LEU HB3 H 1.692 0.05 1 193 34 24 LEU HG H 1.306 0.05 1 194 34 24 LEU HD1 H 1.064 0.05 2 195 34 24 LEU HD2 H 1.036 0.05 2 196 34 24 LEU C C 177.323 0.1 1 197 34 24 LEU CA C 55.923 0.15 1 198 34 24 LEU CB C 42.928 0.15 1 199 34 24 LEU CG C 27.177 0.2 1 200 34 24 LEU CD1 C 24.250 0.2 2 201 34 24 LEU CD2 C 25.751 0.2 2 202 34 24 LEU N N 127.864 0.05 1 203 35 25 GLY H H 9.074 0.01 1 204 35 25 GLY HA2 H 3.901 0.05 1 205 35 25 GLY HA3 H 3.901 0.05 1 206 35 25 GLY C C 174.919 0.1 1 207 35 25 GLY CA C 46.340 0.15 1 208 35 25 GLY N N 114.965 0.05 1 209 36 26 GLY H H 7.925 0.01 1 210 36 26 GLY HA2 H 3.795 0.05 2 211 36 26 GLY HA3 H 4.367 0.05 2 212 36 26 GLY C C 173.733 0.1 1 213 36 26 GLY CA C 44.802 0.15 1 214 36 26 GLY N N 109.111 0.05 1 215 37 27 SER H H 8.144 0.01 1 216 37 27 SER HA H 4.288 0.05 1 217 37 27 SER HB2 H 3.944 0.05 1 218 37 27 SER HB3 H 3.944 0.05 1 219 37 27 SER C C 174.322 0.1 1 220 37 27 SER CA C 59.159 0.15 1 221 37 27 SER CB C 63.703 0.15 1 222 37 27 SER N N 113.407 0.05 1 223 38 28 GLY H H 8.185 0.01 1 224 38 28 GLY HA2 H 4.034 0.05 1 225 38 28 GLY HA3 H 4.034 0.05 1 226 38 28 GLY C C 173.527 0.1 1 227 38 28 GLY CA C 44.881 0.15 1 228 38 28 GLY N N 109.315 0.05 1 229 39 29 LEU H H 8.472 0.01 1 230 39 29 LEU HA H 4.140 0.05 1 231 39 29 LEU HB2 H 1.748 0.05 1 232 39 29 LEU HB3 H 1.748 0.05 1 233 39 29 LEU HG H 0.762 0.05 1 234 39 29 LEU HD1 H 0.864 0.05 1 235 39 29 LEU HD2 H 0.864 0.05 1 236 39 29 LEU C C 177.311 0.1 1 237 39 29 LEU CA C 56.169 0.15 1 238 39 29 LEU CB C 44.063 0.15 1 239 39 29 LEU CD1 C 23.652 0.2 2 240 39 29 LEU CD2 C 24.887 0.2 2 241 39 29 LEU N N 122.056 0.05 1 242 40 30 SER H H 9.051 0.01 1 243 40 30 SER HA H 5.183 0.05 1 244 40 30 SER HB2 H 3.561 0.05 1 245 40 30 SER HB3 H 3.561 0.05 1 246 40 30 SER C C 172.878 0.1 1 247 40 30 SER CA C 59.065 0.15 1 248 40 30 SER CB C 66.085 0.15 1 249 40 30 SER N N 118.330 0.05 1 250 41 31 SER H H 9.133 0.01 1 251 41 31 SER HA H 4.991 0.05 1 252 41 31 SER HB2 H 3.950 0.05 1 253 41 31 SER HB3 H 3.950 0.05 1 254 41 31 SER C C 175.296 0.1 1 255 41 31 SER CA C 56.864 0.15 1 256 41 31 SER CB C 63.189 0.15 1 257 41 31 SER N N 117.088 0.05 1 258 42 32 VAL H H 9.780 0.01 1 259 42 32 VAL HA H 5.454 0.05 1 260 42 32 VAL HB H 1.912 0.05 1 261 42 32 VAL HG1 H 0.888 0.05 2 262 42 32 VAL HG2 H 0.682 0.05 2 263 42 32 VAL C C 174.706 0.1 1 264 42 32 VAL CA C 61.081 0.15 1 265 42 32 VAL CB C 32.959 0.15 1 266 42 32 VAL CG1 C 22.311 0.2 2 267 42 32 VAL CG2 C 21.047 0.2 2 268 42 32 VAL N N 132.209 0.05 1 269 43 33 THR H H 9.275 0.01 1 270 43 33 THR HA H 5.611 0.05 1 271 43 33 THR HB H 4.157 0.05 1 272 43 33 THR HG2 H 1.343 0.05 1 273 43 33 THR C C 179.218 0.1 1 274 43 33 THR CA C 59.553 0.15 1 275 43 33 THR CB C 72.390 0.15 1 276 43 33 THR CG2 C 22.112 0.2 1 277 43 33 THR N N 119.037 0.05 1 278 44 34 VAL H H 8.082 0.01 1 279 44 34 VAL HA H 5.313 0.05 1 280 44 34 VAL HB H 1.744 0.05 1 281 44 34 VAL HG1 H 0.582 0.05 2 282 44 34 VAL HG2 H 0.571 0.05 2 283 44 34 VAL C C 175.603 0.1 1 284 44 34 VAL CA C 59.971 0.15 1 285 44 34 VAL CB C 33.599 0.15 1 286 44 34 VAL CG1 C 20.298 0.2 2 287 44 34 VAL CG2 C 21.968 0.2 2 288 44 34 VAL N N 122.197 0.05 1 289 45 35 PHE H H 9.211 0.01 1 290 45 35 PHE HA H 5.421 0.05 1 291 45 35 PHE HB2 H 3.126 0.05 1 292 45 35 PHE HB3 H 3.126 0.05 1 293 45 35 PHE C C 171.216 0.1 1 294 45 35 PHE CA C 56.492 0.15 1 295 45 35 PHE CB C 41.676 0.15 1 296 45 35 PHE N N 125.446 0.05 1 297 46 36 LYS H H 8.555 0.01 1 298 46 36 LYS HA H 4.672 0.05 1 299 46 36 LYS HB2 H 1.259 0.05 1 300 46 36 LYS HB3 H 1.259 0.05 1 301 46 36 LYS HG2 H 0.491 0.05 1 302 46 36 LYS HG3 H 0.491 0.05 1 303 46 36 LYS HE2 H 2.798 0.05 1 304 46 36 LYS HE3 H 2.798 0.05 1 305 46 36 LYS C C 175.773 0.1 1 306 46 36 LYS CA C 54.178 0.15 1 307 46 36 LYS CB C 35.667 0.15 1 308 46 36 LYS CG C 24.340 0.2 1 309 46 36 LYS CD C 29.779 0.2 1 310 46 36 LYS CE C 42.579 0.2 1 311 46 36 LYS N N 120.345 0.05 1 312 47 37 VAL H H 9.131 0.01 1 313 47 37 VAL HA H 4.552 0.05 1 314 47 37 VAL HB H 2.210 0.05 1 315 47 37 VAL CA C 59.574 0.15 1 316 47 37 VAL CB C 33.831 0.15 1 317 47 37 VAL N N 126.130 0.05 1 318 48 38 PRO HA H 4.338 0.05 1 319 48 38 PRO HB2 H 1.943 0.05 2 320 48 38 PRO HB3 H 2.348 0.05 2 321 48 38 PRO HG2 H 1.943 0.05 1 322 48 38 PRO HG3 H 1.943 0.05 1 323 48 38 PRO C C 176.520 0.1 1 324 48 38 PRO CA C 62.704 0.15 1 325 48 38 PRO CB C 32.367 0.15 1 326 48 38 PRO CG C 27.372 0.2 1 327 48 38 PRO CD C 51.224 0.2 1 328 49 39 HIS H H 8.528 0.01 1 329 49 39 HIS HA H 4.585 0.05 1 330 49 39 HIS HB2 H 3.242 0.05 2 331 49 39 HIS HB3 H 3.046 0.05 2 332 49 39 HIS C C 175.486 0.1 1 333 49 39 HIS CA C 55.656 0.15 1 334 49 39 HIS CB C 29.876 0.15 1 335 49 39 HIS N N 120.534 0.05 1 336 50 40 GLN H H 8.791 0.01 1 337 50 40 GLN HA H 4.216 0.05 1 338 50 40 GLN HB2 H 2.375 0.05 1 339 50 40 GLN HB3 H 2.375 0.05 1 340 50 40 GLN HG2 H 2.375 0.05 1 341 50 40 GLN HG3 H 2.375 0.05 1 342 50 40 GLN HE21 H 7.604 0.05 2 343 50 40 GLN HE22 H 6.857 0.05 2 344 50 40 GLN C C 176.262 0.1 1 345 50 40 GLN CA C 57.474 0.15 1 346 50 40 GLN CB C 29.400 0.15 1 347 50 40 GLN CG C 33.997 0.2 1 348 50 40 GLN CD C 180.311 0.2 1 349 50 40 GLN N N 121.857 0.05 1 350 50 40 GLN NE2 N 112.276 0.05 1 351 51 41 GLU H H 8.882 0.01 1 352 51 41 GLU HA H 4.319 0.05 1 353 51 41 GLU HB2 H 1.977 0.05 1 354 51 41 GLU HB3 H 1.977 0.05 1 355 51 41 GLU HG2 H 2.348 0.05 1 356 51 41 GLU HG3 H 2.348 0.05 1 357 51 41 GLU C C 176.788 0.1 1 358 51 41 GLU CA C 57.164 0.15 1 359 51 41 GLU CB C 29.791 0.15 1 360 51 41 GLU CG C 36.382 0.2 1 361 51 41 GLU N N 119.631 0.05 1 362 52 42 GLU H H 8.420 0.01 1 363 52 42 GLU HA H 4.170 0.05 1 364 52 42 GLU HB2 H 2.265 0.05 1 365 52 42 GLU HB3 H 2.265 0.05 1 366 52 42 GLU HG2 H 2.265 0.05 1 367 52 42 GLU HG3 H 2.265 0.05 1 368 52 42 GLU C C 176.219 0.1 1 369 52 42 GLU CA C 57.179 0.15 1 370 52 42 GLU CB C 29.700 0.15 1 371 52 42 GLU CG C 36.137 0.2 1 372 52 42 GLU N N 120.858 0.05 1 373 53 43 ASN H H 8.436 0.01 1 374 53 43 ASN HA H 4.768 0.05 1 375 53 43 ASN HB2 H 2.892 0.05 1 376 53 43 ASN HB3 H 2.892 0.05 1 377 53 43 ASN HD21 H 7.659 0.05 2 378 53 43 ASN HD22 H 7.012 0.05 2 379 53 43 ASN C C 175.751 0.1 1 380 53 43 ASN CA C 53.467 0.15 1 381 53 43 ASN CB C 38.537 0.15 1 382 53 43 ASN CG C 177.149 0.2 1 383 53 43 ASN N N 117.642 0.05 1 384 53 43 ASN ND2 N 112.818 0.05 1 385 54 44 GLY H H 8.175 0.01 1 386 54 44 GLY HA2 H 4.024 0.05 1 387 54 44 GLY HA3 H 4.024 0.05 1 388 54 44 GLY C C 173.953 0.1 1 389 54 44 GLY CA C 45.300 0.15 1 390 54 44 GLY N N 108.090 0.05 1 391 55 45 CYS H H 8.206 0.01 1 392 55 45 CYS HA H 4.515 0.05 1 393 55 45 CYS HB2 H 2.838 0.05 1 394 55 45 CYS HB3 H 2.838 0.05 1 395 55 45 CYS C C 173.701 0.1 1 396 55 45 CYS CA C 58.794 0.15 1 397 55 45 CYS CB C 28.558 0.15 1 398 55 45 CYS N N 119.325 0.05 1 399 56 46 ALA H H 8.408 0.01 1 400 56 46 ALA HA H 4.421 0.05 1 401 56 46 ALA HB H 1.041 0.05 1 402 56 46 ALA C C 175.012 0.1 1 403 56 46 ALA CA C 51.773 0.15 1 404 56 46 ALA CB C 21.972 0.15 1 405 56 46 ALA N N 125.754 0.05 1 406 57 47 ASP H H 7.936 0.01 1 407 57 47 ASP HA H 5.000 0.05 1 408 57 47 ASP HB2 H 2.491 0.05 1 409 57 47 ASP HB3 H 2.491 0.05 1 410 57 47 ASP C C 173.865 0.1 1 411 57 47 ASP CA C 53.241 0.15 1 412 57 47 ASP CB C 44.753 0.15 1 413 57 47 ASP N N 117.965 0.05 1 414 58 48 PHE H H 8.944 0.01 1 415 58 48 PHE HA H 5.113 0.05 1 416 58 48 PHE HB2 H 2.747 0.05 2 417 58 48 PHE HB3 H 2.281 0.05 2 418 58 48 PHE C C 174.471 0.1 1 419 58 48 PHE CA C 56.720 0.15 1 420 58 48 PHE CB C 42.865 0.15 1 421 58 48 PHE N N 119.536 0.05 1 422 59 49 PHE H H 8.667 0.01 1 423 59 49 PHE HA H 5.201 0.05 1 424 59 49 PHE HB2 H 2.568 0.05 1 425 59 49 PHE HB3 H 2.568 0.05 1 426 59 49 PHE C C 174.654 0.1 1 427 59 49 PHE CA C 56.464 0.15 1 428 59 49 PHE CB C 44.592 0.15 1 429 59 49 PHE N N 118.348 0.05 1 430 60 50 ILE H H 8.588 0.01 1 431 60 50 ILE HA H 5.080 0.05 1 432 60 50 ILE HB H 1.626 0.05 1 433 60 50 ILE HG12 H 0.930 0.05 1 434 60 50 ILE HG13 H 0.930 0.05 1 435 60 50 ILE HG2 H 0.925 0.05 1 436 60 50 ILE HD1 H 0.290 0.05 1 437 60 50 ILE C C 175.167 0.1 1 438 60 50 ILE CA C 60.662 0.15 1 439 60 50 ILE CB C 40.614 0.15 1 440 60 50 ILE CG2 C 18.170 0.2 1 441 60 50 ILE CD1 C 14.118 0.2 1 442 60 50 ILE N N 117.320 0.05 1 443 61 51 ARG H H 9.141 0.01 1 444 61 51 ARG HA H 5.509 0.05 1 445 61 51 ARG HB2 H 2.020 0.05 1 446 61 51 ARG HB3 H 2.020 0.05 1 447 61 51 ARG HG2 H 1.627 0.05 1 448 61 51 ARG HG3 H 1.627 0.05 1 449 61 51 ARG HD2 H 3.202 0.05 1 450 61 51 ARG HD3 H 3.202 0.05 1 451 61 51 ARG C C 174.804 0.1 1 452 61 51 ARG CA C 54.478 0.15 1 453 61 51 ARG CB C 35.899 0.15 1 454 61 51 ARG CG C 28.567 0.2 1 455 61 51 ARG CD C 44.042 0.2 1 456 61 51 ARG N N 126.800 0.05 1 457 62 52 GLY H H 9.969 0.01 1 458 62 52 GLY HA2 H 3.150 0.05 1 459 62 52 GLY HA3 H 3.150 0.05 1 460 62 52 GLY C C 171.513 0.1 1 461 62 52 GLY CA C 45.086 0.15 1 462 62 52 GLY N N 113.564 0.05 1 463 63 53 GLU H H 9.015 0.01 1 464 63 53 GLU HA H 5.108 0.05 1 465 63 53 GLU HB2 H 2.076 0.05 2 466 63 53 GLU HB3 H 1.844 0.05 2 467 63 53 GLU HG2 H 2.048 0.05 1 468 63 53 GLU HG3 H 2.048 0.05 1 469 63 53 GLU C C 174.881 0.1 1 470 63 53 GLU CA C 53.601 0.15 1 471 63 53 GLU CB C 33.475 0.15 1 472 63 53 GLU CG C 36.533 0.2 1 473 63 53 GLU N N 125.904 0.05 1 474 64 54 ARG H H 9.455 0.01 1 475 64 54 ARG HA H 4.671 0.05 1 476 64 54 ARG HB2 H 1.864 0.05 1 477 64 54 ARG HB3 H 1.864 0.05 1 478 64 54 ARG HG2 H 1.864 0.05 1 479 64 54 ARG HG3 H 1.864 0.05 1 480 64 54 ARG HD2 H 3.260 0.05 1 481 64 54 ARG HD3 H 3.260 0.05 1 482 64 54 ARG C C 178.005 0.1 1 483 64 54 ARG CA C 57.814 0.15 1 484 64 54 ARG CB C 31.800 0.15 1 485 64 54 ARG CG C 27.226 0.2 1 486 64 54 ARG CD C 44.666 0.2 1 487 64 54 ARG N N 129.297 0.05 1 488 65 55 LEU H H 8.691 0.01 1 489 65 55 LEU HA H 4.127 0.05 1 490 65 55 LEU HB2 H 1.538 0.05 1 491 65 55 LEU HB3 H 1.538 0.05 1 492 65 55 LEU HG H 1.672 0.05 1 493 65 55 LEU HD1 H 0.895 0.05 2 494 65 55 LEU HD2 H 0.868 0.05 2 495 65 55 LEU C C 180.311 0.1 1 496 65 55 LEU CA C 58.051 0.15 1 497 65 55 LEU CB C 41.369 0.15 1 498 65 55 LEU CG C 25.982 0.2 1 499 65 55 LEU CD1 C 23.455 0.2 2 500 65 55 LEU CD2 C 25.649 0.2 2 501 65 55 LEU N N 126.013 0.05 1 502 66 56 ARG H H 8.492 0.01 1 503 66 56 ARG HA H 4.104 0.05 1 504 66 56 ARG HB2 H 1.603 0.05 2 505 66 56 ARG HB3 H 1.925 0.05 2 506 66 56 ARG HG2 H 1.603 0.05 1 507 66 56 ARG HG3 H 1.603 0.05 1 508 66 56 ARG HD2 H 3.235 0.05 1 509 66 56 ARG HD3 H 3.235 0.05 1 510 66 56 ARG C C 176.758 0.1 1 511 66 56 ARG CA C 59.114 0.15 1 512 66 56 ARG CB C 30.245 0.15 1 513 66 56 ARG CG C 26.681 0.2 1 514 66 56 ARG CD C 43.407 0.2 1 515 66 56 ARG N N 115.603 0.05 1 516 67 57 ASP H H 7.400 0.01 1 517 67 57 ASP HA H 4.748 0.05 1 518 67 57 ASP HB2 H 3.031 0.05 2 519 67 57 ASP HB3 H 2.468 0.05 2 520 67 57 ASP C C 175.670 0.1 1 521 67 57 ASP CA C 52.539 0.15 1 522 67 57 ASP CB C 41.457 0.15 1 523 67 57 ASP N N 113.518 0.05 1 524 68 58 LYS H H 8.119 0.01 1 525 68 58 LYS HA H 4.023 0.05 1 526 68 58 LYS HB2 H 2.034 0.05 2 527 68 58 LYS HB3 H 1.681 0.05 2 528 68 58 LYS HG2 H 1.385 0.05 1 529 68 58 LYS HG3 H 1.385 0.05 1 530 68 58 LYS HD2 H 1.681 0.05 1 531 68 58 LYS HD3 H 1.681 0.05 1 532 68 58 LYS HE2 H 3.027 0.05 1 533 68 58 LYS HE3 H 3.027 0.05 1 534 68 58 LYS C C 175.100 0.1 1 535 68 58 LYS CA C 57.940 0.15 1 536 68 58 LYS CB C 29.693 0.15 1 537 68 58 LYS CG C 25.417 0.2 1 538 68 58 LYS CD C 29.070 0.2 1 539 68 58 LYS CE C 42.256 0.2 1 540 68 58 LYS N N 115.753 0.05 1 541 69 59 MET H H 7.484 0.01 1 542 69 59 MET HA H 4.319 0.05 1 543 69 59 MET HB2 H 1.911 0.05 2 544 69 59 MET HB3 H 2.352 0.05 2 545 69 59 MET HG2 H 2.448 0.05 1 546 69 59 MET HG3 H 2.448 0.05 1 547 69 59 MET C C 176.722 0.1 1 548 69 59 MET CA C 55.911 0.15 1 549 69 59 MET CB C 33.336 0.15 1 550 69 59 MET CG C 32.283 0.2 1 551 69 59 MET N N 118.505 0.05 1 552 70 60 VAL H H 8.929 0.01 1 553 70 60 VAL HA H 4.343 0.05 1 554 70 60 VAL HB H 2.134 0.05 1 555 70 60 VAL HG1 H 1.084 0.05 1 556 70 60 VAL HG2 H 1.084 0.05 1 557 70 60 VAL C C 176.393 0.1 1 558 70 60 VAL CA C 64.015 0.15 1 559 70 60 VAL CB C 30.996 0.15 1 560 70 60 VAL CG1 C 21.464 0.2 1 561 70 60 VAL CG2 C 21.464 0.2 1 562 70 60 VAL N N 127.841 0.05 1 563 71 61 VAL H H 8.212 0.01 1 564 71 61 VAL HA H 4.439 0.05 1 565 71 61 VAL HB H 2.257 0.05 1 566 71 61 VAL HG1 H 0.931 0.05 2 567 71 61 VAL HG2 H 0.830 0.05 2 568 71 61 VAL C C 174.357 0.1 1 569 71 61 VAL CA C 61.050 0.15 1 570 71 61 VAL CB C 33.088 0.15 1 571 71 61 VAL CG1 C 21.790 0.2 2 572 71 61 VAL CG2 C 18.617 0.2 2 573 71 61 VAL N N 122.056 0.05 1 574 72 62 LEU H H 7.582 0.01 1 575 72 62 LEU HA H 4.615 0.05 1 576 72 62 LEU HB2 H 1.344 0.05 1 577 72 62 LEU HB3 H 1.344 0.05 1 578 72 62 LEU HG H 1.370 0.05 1 579 72 62 LEU HD1 H 0.600 0.05 1 580 72 62 LEU HD2 H 0.600 0.05 1 581 72 62 LEU C C 174.349 0.1 1 582 72 62 LEU CA C 54.829 0.15 1 583 72 62 LEU CB C 46.559 0.15 1 584 72 62 LEU CG C 27.269 0.2 1 585 72 62 LEU CD1 C 24.625 0.2 1 586 72 62 LEU CD2 C 24.625 0.2 1 587 72 62 LEU N N 121.949 0.05 1 588 73 63 GLU H H 8.836 0.01 1 589 73 63 GLU HA H 5.223 0.05 1 590 73 63 GLU HB2 H 2.146 0.05 1 591 73 63 GLU HB3 H 2.146 0.05 1 592 73 63 GLU HG2 H 2.257 0.05 1 593 73 63 GLU HG3 H 2.257 0.05 1 594 73 63 GLU C C 174.428 0.1 1 595 73 63 GLU CA C 57.266 0.15 1 596 73 63 GLU CB C 32.303 0.15 1 597 73 63 GLU CG C 37.885 0.2 1 598 73 63 GLU N N 127.863 0.05 1 599 74 64 CYS H H 9.119 0.01 1 600 74 64 CYS HA H 5.048 0.05 1 601 74 64 CYS HB2 H 2.899 0.05 1 602 74 64 CYS HB3 H 2.899 0.05 1 603 74 64 CYS C C 172.180 0.1 1 604 74 64 CYS CA C 56.118 0.15 1 605 74 64 CYS CB C 31.390 0.15 1 606 74 64 CYS N N 121.947 0.05 1 607 75 65 MET H H 8.909 0.01 1 608 75 65 MET HA H 4.418 0.05 1 609 75 65 MET HB2 H 1.926 0.05 2 610 75 65 MET HB3 H 2.249 0.05 2 611 75 65 MET HG2 H 2.249 0.05 1 612 75 65 MET HG3 H 2.249 0.05 1 613 75 65 MET C C 175.373 0.1 1 614 75 65 MET CA C 55.646 0.15 1 615 75 65 MET CB C 33.918 0.15 1 616 75 65 MET CG C 31.985 0.2 1 617 75 65 MET N N 125.634 0.05 1 618 76 66 LEU H H 8.316 0.01 1 619 76 66 LEU HA H 4.046 0.05 1 620 76 66 LEU HB2 H 1.161 0.05 1 621 76 66 LEU HB3 H 1.161 0.05 1 622 76 66 LEU HG H 1.167 0.05 1 623 76 66 LEU HD1 H 0.477 0.05 2 624 76 66 LEU HD2 H 0.490 0.05 2 625 76 66 LEU C C 174.630 0.1 1 626 76 66 LEU CA C 55.223 0.15 1 627 76 66 LEU CB C 43.189 0.15 1 628 76 66 LEU CD1 C 24.423 0.2 2 629 76 66 LEU CD2 C 25.491 0.2 2 630 76 66 LEU N N 124.770 0.05 1 631 77 67 LYS H H 6.617 0.01 1 632 77 67 LYS HA H 4.568 0.05 1 633 77 67 LYS HB2 H 2.042 0.05 2 634 77 67 LYS HB3 H 1.730 0.05 2 635 77 67 LYS HG2 H 1.730 0.05 1 636 77 67 LYS HG3 H 1.730 0.05 1 637 77 67 LYS HD2 H 1.402 0.05 1 638 77 67 LYS HD3 H 1.402 0.05 1 639 77 67 LYS HE2 H 3.019 0.05 1 640 77 67 LYS HE3 H 3.019 0.05 1 641 77 67 LYS C C 175.991 0.1 1 642 77 67 LYS CA C 54.220 0.15 1 643 77 67 LYS CB C 36.718 0.15 1 644 77 67 LYS CG C 24.942 0.2 1 645 77 67 LYS CD C 29.115 0.2 1 646 77 67 LYS CE C 42.076 0.2 1 647 77 67 LYS N N 117.850 0.05 1 648 78 68 LYS H H 8.783 0.01 1 649 78 68 LYS HA H 3.853 0.05 1 650 78 68 LYS HB2 H 1.873 0.05 1 651 78 68 LYS HB3 H 1.873 0.05 1 652 78 68 LYS HG2 H 1.388 0.05 1 653 78 68 LYS HG3 H 1.388 0.05 1 654 78 68 LYS HD2 H 1.672 0.05 1 655 78 68 LYS HD3 H 1.672 0.05 1 656 78 68 LYS HE2 H 2.982 0.05 1 657 78 68 LYS HE3 H 2.982 0.05 1 658 78 68 LYS C C 175.579 0.1 1 659 78 68 LYS CA C 58.709 0.15 1 660 78 68 LYS CB C 32.518 0.15 1 661 78 68 LYS CG C 24.141 0.2 1 662 78 68 LYS CD C 29.343 0.2 1 663 78 68 LYS CE C 41.895 0.2 1 664 78 68 LYS N N 117.516 0.05 1 665 79 69 ASP H H 7.992 0.01 1 666 79 69 ASP HA H 4.623 0.05 1 667 79 69 ASP HB2 H 2.849 0.05 2 668 79 69 ASP HB3 H 2.609 0.05 2 669 79 69 ASP C C 175.182 0.1 1 670 79 69 ASP CA C 53.127 0.15 1 671 79 69 ASP CB C 39.563 0.15 1 672 79 69 ASP N N 115.654 0.05 1 673 80 70 LEU H H 7.158 0.01 1 674 80 70 LEU HA H 4.364 0.05 1 675 80 70 LEU HB2 H 1.764 0.05 1 676 80 70 LEU HB3 H 1.764 0.05 1 677 80 70 LEU HG H 1.619 0.05 1 678 80 70 LEU HD1 H 0.917 0.05 2 679 80 70 LEU HD2 H 0.754 0.05 2 680 80 70 LEU C C 175.661 0.1 1 681 80 70 LEU CA C 56.666 0.15 1 682 80 70 LEU CB C 43.593 0.15 1 683 80 70 LEU CG C 26.472 0.2 1 684 80 70 LEU CD1 C 25.887 0.2 2 685 80 70 LEU CD2 C 26.501 0.2 2 686 80 70 LEU N N 121.157 0.05 1 687 81 71 ILE H H 8.419 0.01 1 688 81 71 ILE HA H 4.388 0.05 1 689 81 71 ILE HB H 2.013 0.05 1 690 81 71 ILE HG12 H 1.735 0.05 2 691 81 71 ILE HG13 H 1.315 0.05 2 692 81 71 ILE HG2 H 0.958 0.05 1 693 81 71 ILE HD1 H 0.956 0.05 1 694 81 71 ILE C C 174.049 0.1 1 695 81 71 ILE CA C 60.546 0.15 1 696 81 71 ILE CB C 39.122 0.15 1 697 81 71 ILE CG1 C 27.139 0.2 1 698 81 71 ILE CG2 C 17.405 0.2 1 699 81 71 ILE CD1 C 12.831 0.2 1 700 81 71 ILE N N 127.395 0.05 1 701 82 72 TYR H H 8.893 0.01 1 702 82 72 TYR HA H 4.813 0.05 1 703 82 72 TYR HB2 H 3.030 0.05 2 704 82 72 TYR HB3 H 2.394 0.05 2 705 82 72 TYR C C 174.215 0.1 1 706 82 72 TYR CA C 57.921 0.15 1 707 82 72 TYR CB C 41.670 0.15 1 708 82 72 TYR N N 131.437 0.05 1 709 83 73 ASN H H 9.015 0.01 1 710 83 73 ASN HA H 4.727 0.05 1 711 83 73 ASN HB2 H 1.817 0.05 2 712 83 73 ASN HB3 H 1.590 0.05 2 713 83 73 ASN HD21 H 6.807 0.05 2 714 83 73 ASN HD22 H 6.722 0.05 2 715 83 73 ASN C C 172.944 0.1 1 716 83 73 ASN CA C 52.631 0.15 1 717 83 73 ASN CB C 40.870 0.15 1 718 83 73 ASN CG C 176.299 0.2 1 719 83 73 ASN N N 126.639 0.05 1 720 83 73 ASN ND2 N 114.211 0.05 1 721 84 74 LYS H H 8.589 0.01 1 722 84 74 LYS HA H 4.206 0.05 1 723 84 74 LYS HB2 H 1.593 0.05 1 724 84 74 LYS HB3 H 1.593 0.05 1 725 84 74 LYS HG2 H 0.956 0.05 1 726 84 74 LYS HG3 H 0.956 0.05 1 727 84 74 LYS HD2 H 1.482 0.05 1 728 84 74 LYS HD3 H 1.482 0.05 1 729 84 74 LYS HE2 H 2.846 0.05 1 730 84 74 LYS HE3 H 2.846 0.05 1 731 84 74 LYS C C 175.537 0.1 1 732 84 74 LYS CA C 55.782 0.15 1 733 84 74 LYS CB C 30.534 0.15 1 734 84 74 LYS CG C 23.344 0.2 1 735 84 74 LYS CD C 28.787 0.2 1 736 84 74 LYS CE C 41.210 0.2 1 737 84 74 LYS N N 124.663 0.05 1 738 85 75 VAL H H 7.757 0.01 1 739 85 75 VAL HA H 3.936 0.05 1 740 85 75 VAL HB H 2.185 0.05 1 741 85 75 VAL HG1 H 1.200 0.05 2 742 85 75 VAL HG2 H 0.832 0.05 2 743 85 75 VAL C C 176.706 0.1 1 744 85 75 VAL CA C 65.537 0.15 1 745 85 75 VAL CB C 32.982 0.15 1 746 85 75 VAL CG1 C 21.530 0.2 2 747 85 75 VAL CG2 C 21.485 0.2 2 748 85 75 VAL N N 125.541 0.05 1 749 86 76 THR H H 8.586 0.01 1 750 86 76 THR HA H 5.107 0.05 1 751 86 76 THR HB H 5.107 0.05 1 752 86 76 THR CA C 58.935 0.15 1 753 86 76 THR CB C 69.310 0.15 1 754 86 76 THR N N 111.347 0.05 1 755 87 77 PRO HB2 H 2.253 0.05 2 756 87 77 PRO HB3 H 2.037 0.05 2 757 87 77 PRO HG2 H 2.037 0.05 1 758 87 77 PRO HG3 H 2.037 0.05 1 759 87 77 PRO C C 176.806 0.1 1 760 87 77 PRO CA C 64.709 0.15 1 761 87 77 PRO CB C 32.795 0.15 1 762 88 78 THR H H 7.798 0.01 1 763 88 78 THR HA H 4.466 0.05 1 764 88 78 THR HB H 4.466 0.05 1 765 88 78 THR HG2 H 0.875 0.05 1 766 88 78 THR C C 172.579 0.1 1 767 88 78 THR CA C 60.388 0.15 1 768 88 78 THR CB C 69.557 0.15 1 769 88 78 THR CG2 C 21.420 0.2 1 770 88 78 THR N N 99.242 0.05 1 771 89 79 PHE H H 7.826 0.01 1 772 89 79 PHE HA H 6.021 0.05 1 773 89 79 PHE HB2 H 3.055 0.05 1 774 89 79 PHE HB3 H 3.055 0.05 1 775 89 79 PHE C C 173.580 0.1 1 776 89 79 PHE CA C 57.168 0.15 1 777 89 79 PHE CB C 40.611 0.15 1 778 89 79 PHE N N 124.174 0.05 1 779 90 80 HIS H H 7.973 0.01 1 780 90 80 HIS HA H 5.296 0.05 1 781 90 80 HIS HB2 H 3.105 0.05 2 782 90 80 HIS HB3 H 2.957 0.05 2 783 90 80 HIS C C 173.014 0.1 1 784 90 80 HIS CA C 51.377 0.15 1 785 90 80 HIS CB C 36.654 0.15 1 786 90 80 HIS N N 126.583 0.05 1 787 91 81 HIS H H 8.556 0.01 1 788 91 81 HIS HA H 5.024 0.05 1 789 91 81 HIS HB2 H 2.876 0.05 2 790 91 81 HIS HB3 H 1.712 0.05 2 791 91 81 HIS C C 172.548 0.1 1 792 91 81 HIS CA C 55.139 0.15 1 793 91 81 HIS CB C 34.663 0.15 1 794 91 81 HIS N N 115.173 0.05 1 795 92 82 TRP H H 9.415 0.01 1 796 92 82 TRP HA H 5.721 0.05 1 797 92 82 TRP HB2 H 3.448 0.05 1 798 92 82 TRP HB3 H 3.448 0.05 1 799 92 82 TRP C C 174.664 0.1 1 800 92 82 TRP CA C 56.839 0.15 1 801 92 82 TRP CB C 33.214 0.15 1 802 92 82 TRP N N 117.555 0.05 1 803 93 83 LYS H H 8.993 0.01 1 804 93 83 LYS HA H 5.614 0.05 1 805 93 83 LYS HB2 H 1.865 0.05 1 806 93 83 LYS HB3 H 1.865 0.05 1 807 93 83 LYS HG2 H 1.394 0.05 1 808 93 83 LYS HG3 H 1.394 0.05 1 809 93 83 LYS HD2 H 1.748 0.05 1 810 93 83 LYS HD3 H 1.748 0.05 1 811 93 83 LYS HE2 H 3.027 0.05 1 812 93 83 LYS HE3 H 3.027 0.05 1 813 93 83 LYS C C 175.792 0.1 1 814 93 83 LYS CA C 55.014 0.15 1 815 93 83 LYS CB C 36.704 0.15 1 816 93 83 LYS CG C 24.808 0.2 1 817 93 83 LYS CD C 29.952 0.2 1 818 93 83 LYS CE C 42.037 0.2 1 819 93 83 LYS N N 122.341 0.05 1 820 94 84 ILE H H 8.867 0.01 1 821 94 84 ILE HA H 4.517 0.05 1 822 94 84 ILE HB H 2.072 0.05 1 823 94 84 ILE HG12 H 1.452 0.05 1 824 94 84 ILE HG13 H 1.452 0.05 1 825 94 84 ILE HG2 H 1.198 0.05 1 826 94 84 ILE HD1 H 1.160 0.05 1 827 94 84 ILE C C 175.032 0.1 1 828 94 84 ILE CA C 60.009 0.15 1 829 94 84 ILE CB C 40.716 0.15 1 830 94 84 ILE CG1 C 28.473 0.2 1 831 94 84 ILE CG2 C 17.718 0.2 1 832 94 84 ILE CD1 C 14.428 0.2 1 833 94 84 ILE N N 125.126 0.05 1 834 95 85 ASP H H 9.373 0.01 1 835 95 85 ASP HA H 4.244 0.05 1 836 95 85 ASP HB2 H 3.011 0.05 1 837 95 85 ASP HB3 H 3.011 0.05 1 838 95 85 ASP C C 174.720 0.1 1 839 95 85 ASP CA C 56.829 0.15 1 840 95 85 ASP CB C 39.372 0.15 1 841 95 85 ASP N N 128.192 0.05 1 842 96 86 ASP H H 8.737 0.01 1 843 96 86 ASP HA H 4.587 0.05 1 844 96 86 ASP HB2 H 2.807 0.05 1 845 96 86 ASP HB3 H 2.807 0.05 1 846 96 86 ASP C C 175.604 0.1 1 847 96 86 ASP CA C 54.480 0.15 1 848 96 86 ASP CB C 40.517 0.15 1 849 96 86 ASP N N 118.346 0.05 1 850 97 87 LYS H H 8.461 0.01 1 851 97 87 LYS HA H 4.423 0.05 1 852 97 87 LYS HB2 H 2.142 0.05 1 853 97 87 LYS HB3 H 2.142 0.05 1 854 97 87 LYS HG2 H 1.595 0.05 1 855 97 87 LYS HG3 H 1.595 0.05 1 856 97 87 LYS HD2 H 1.820 0.05 1 857 97 87 LYS HD3 H 1.820 0.05 1 858 97 87 LYS HE2 H 3.158 0.05 1 859 97 87 LYS HE3 H 3.158 0.05 1 860 97 87 LYS C C 174.794 0.1 1 861 97 87 LYS CA C 55.613 0.15 1 862 97 87 LYS CB C 34.562 0.15 1 863 97 87 LYS CG C 25.047 0.2 1 864 97 87 LYS CD C 28.865 0.2 1 865 97 87 LYS CE C 42.362 0.2 1 866 97 87 LYS N N 121.818 0.05 1 867 98 88 LYS H H 7.945 0.01 1 868 98 88 LYS HA H 5.084 0.05 1 869 98 88 LYS HB2 H 1.680 0.05 2 870 98 88 LYS HB3 H 1.486 0.05 2 871 98 88 LYS HG2 H 1.295 0.05 1 872 98 88 LYS HG3 H 1.295 0.05 1 873 98 88 LYS HD2 H 1.486 0.05 1 874 98 88 LYS HD3 H 1.486 0.05 1 875 98 88 LYS HE2 H 2.792 0.05 1 876 98 88 LYS HE3 H 2.792 0.05 1 877 98 88 LYS C C 174.894 0.1 1 878 98 88 LYS CA C 55.506 0.15 1 879 98 88 LYS CB C 34.705 0.15 1 880 98 88 LYS CG C 25.265 0.2 1 881 98 88 LYS CD C 29.618 0.2 1 882 98 88 LYS CE C 42.072 0.2 1 883 98 88 LYS N N 120.865 0.05 1 884 99 89 PHE H H 8.071 0.01 1 885 99 89 PHE HA H 5.164 0.05 1 886 99 89 PHE HB2 H 2.493 0.05 1 887 99 89 PHE HB3 H 2.493 0.05 1 888 99 89 PHE C C 172.755 0.1 1 889 99 89 PHE CA C 56.031 0.15 1 890 99 89 PHE CB C 43.987 0.15 1 891 99 89 PHE N N 119.928 0.05 1 892 100 90 GLY H H 8.139 0.01 1 893 100 90 GLY HA2 H 4.440 0.05 2 894 100 90 GLY HA3 H 3.004 0.05 2 895 100 90 GLY C C 171.022 0.1 1 896 100 90 GLY CA C 44.722 0.15 1 897 100 90 GLY N N 104.777 0.05 1 898 101 91 LEU H H 8.551 0.01 1 899 101 91 LEU HA H 5.021 0.05 1 900 101 91 LEU HB2 H 1.538 0.05 1 901 101 91 LEU HB3 H 1.538 0.05 1 902 101 91 LEU HG H 1.672 0.05 1 903 101 91 LEU HD1 H 0.895 0.05 2 904 101 91 LEU HD2 H 0.868 0.05 2 905 101 91 LEU C C 174.780 0.1 1 906 101 91 LEU CA C 53.357 0.15 1 907 101 91 LEU CB C 46.308 0.15 1 908 101 91 LEU CG C 25.982 0.2 1 909 101 91 LEU CD1 C 23.455 0.2 2 910 101 91 LEU CD2 C 25.649 0.2 2 911 101 91 LEU N N 119.032 0.05 1 912 102 92 THR H H 8.510 0.01 1 913 102 92 THR HA H 5.271 0.05 1 914 102 92 THR HB H 3.960 0.05 1 915 102 92 THR HG2 H 1.189 0.05 1 916 102 92 THR C C 175.445 0.1 1 917 102 92 THR CA C 61.194 0.15 1 918 102 92 THR CB C 69.233 0.15 1 919 102 92 THR CG2 C 21.832 0.2 1 920 102 92 THR N N 115.742 0.05 1 921 103 93 PHE H H 9.184 0.01 1 922 103 93 PHE HA H 4.572 0.05 1 923 103 93 PHE HB2 H 2.393 0.05 1 924 103 93 PHE HB3 H 2.393 0.05 1 925 103 93 PHE C C 175.553 0.1 1 926 103 93 PHE CA C 57.814 0.15 1 927 103 93 PHE CB C 41.880 0.15 1 928 103 93 PHE N N 126.470 0.05 1 929 104 94 GLN H H 10.359 0.01 1 930 104 94 GLN HA H 4.254 0.05 1 931 104 94 GLN HB2 H 2.414 0.05 1 932 104 94 GLN HB3 H 2.414 0.05 1 933 104 94 GLN HG2 H 2.554 0.05 1 934 104 94 GLN HG3 H 2.554 0.05 1 935 104 94 GLN HE21 H 7.471 0.05 2 936 104 94 GLN HE22 H 7.040 0.05 2 937 104 94 GLN C C 175.738 0.1 1 938 104 94 GLN CA C 57.595 0.15 1 939 104 94 GLN CB C 30.394 0.15 1 940 104 94 GLN CG C 35.016 0.2 1 941 104 94 GLN CD C 180.133 0.2 1 942 104 94 GLN N N 118.553 0.05 1 943 104 94 GLN NE2 N 112.755 0.05 1 944 105 95 SER H H 7.466 0.01 1 945 105 95 SER HA H 5.088 0.05 1 946 105 95 SER CA C 55.328 0.15 1 947 105 95 SER CB C 64.963 0.15 1 948 105 95 SER N N 108.513 0.05 1 949 106 96 PRO HA H 4.447 0.05 1 950 106 96 PRO HB2 H 2.380 0.05 1 951 106 96 PRO HB3 H 2.380 0.05 1 952 106 96 PRO HG2 H 2.017 0.05 1 953 106 96 PRO HG3 H 2.017 0.05 1 954 106 96 PRO C C 178.878 0.1 1 955 106 96 PRO CA C 64.194 0.15 1 956 106 96 PRO CB C 32.341 0.5 1 957 106 96 PRO CG C 27.891 0.2 1 958 107 97 ALA H H 8.072 0.01 1 959 107 97 ALA HA H 4.111 0.05 1 960 107 97 ALA HB H 1.483 0.05 1 961 107 97 ALA C C 180.575 0.1 1 962 107 97 ALA CA C 55.581 0.15 1 963 107 97 ALA CB C 18.232 0.15 1 964 107 97 ALA N N 120.658 0.05 1 965 108 98 ASP H H 7.752 0.01 1 966 108 98 ASP HA H 4.420 0.05 1 967 108 98 ASP HB2 H 2.945 0.05 1 968 108 98 ASP HB3 H 2.945 0.05 1 969 108 98 ASP C C 177.004 0.1 1 970 108 98 ASP CA C 56.978 0.15 1 971 108 98 ASP CB C 41.094 0.15 1 972 108 98 ASP N N 121.219 0.05 1 973 109 99 ALA H H 6.884 0.01 1 974 109 99 ALA HA H 1.831 0.05 1 975 109 99 ALA HB H 0.873 0.05 1 976 109 99 ALA C C 179.442 0.1 1 977 109 99 ALA CA C 54.082 0.15 1 978 109 99 ALA CB C 20.625 0.15 1 979 109 99 ALA N N 122.284 0.05 1 980 110 100 ARG H H 7.848 0.01 1 981 110 100 ARG HA H 4.223 0.05 1 982 110 100 ARG HB2 H 1.845 0.05 1 983 110 100 ARG HB3 H 1.845 0.05 1 984 110 100 ARG HG2 H 1.631 0.05 1 985 110 100 ARG HG3 H 1.631 0.05 1 986 110 100 ARG HD2 H 3.255 0.05 1 987 110 100 ARG HD3 H 3.255 0.05 1 988 110 100 ARG C C 179.286 0.1 1 989 110 100 ARG CA C 59.205 0.15 1 990 110 100 ARG CB C 30.847 0.15 1 991 110 100 ARG CG C 28.039 0.2 1 992 110 100 ARG CD C 43.637 0.2 1 993 110 100 ARG N N 116.313 0.05 1 994 111 101 ALA H H 7.911 0.01 1 995 111 101 ALA HA H 4.054 0.05 1 996 111 101 ALA HB H 1.588 0.05 1 997 111 101 ALA C C 180.576 0.1 1 998 111 101 ALA CA C 55.001 0.15 1 999 111 101 ALA CB C 17.942 0.15 1 1000 111 101 ALA N N 122.129 0.05 1 1001 112 102 PHE H H 8.406 0.01 1 1002 112 102 PHE HA H 3.775 0.05 1 1003 112 102 PHE HB2 H 3.035 0.05 1 1004 112 102 PHE HB3 H 3.035 0.05 1 1005 112 102 PHE C C 176.049 0.1 1 1006 112 102 PHE CA C 63.000 0.15 1 1007 112 102 PHE CB C 40.816 0.15 1 1008 112 102 PHE N N 122.138 0.05 1 1009 113 103 ASP H H 8.207 0.01 1 1010 113 103 ASP HA H 4.015 0.05 1 1011 113 103 ASP HB2 H 2.914 0.05 1 1012 113 103 ASP HB3 H 2.914 0.05 1 1013 113 103 ASP C C 177.188 0.1 1 1014 113 103 ASP CA C 56.921 0.15 1 1015 113 103 ASP CB C 42.669 0.15 1 1016 113 103 ASP N N 117.931 0.05 1 1017 114 104 ARG H H 8.094 0.01 1 1018 114 104 ARG HA H 3.769 0.05 1 1019 114 104 ARG HB2 H 1.819 0.05 1 1020 114 104 ARG HB3 H 1.819 0.05 1 1021 114 104 ARG HG2 H 1.602 0.05 1 1022 114 104 ARG HG3 H 1.602 0.05 1 1023 114 104 ARG HD2 H 3.154 0.05 1 1024 114 104 ARG HD3 H 3.154 0.05 1 1025 114 104 ARG C C 178.951 0.1 1 1026 114 104 ARG CA C 59.597 0.15 1 1027 114 104 ARG CB C 30.169 0.15 1 1028 114 104 ARG CG C 27.606 0.2 1 1029 114 104 ARG CD C 43.548 0.2 1 1030 114 104 ARG N N 116.326 0.05 1 1031 115 105 GLY H H 7.894 0.01 1 1032 115 105 GLY HA2 H 3.787 0.05 2 1033 115 105 GLY HA3 H 3.275 0.05 2 1034 115 105 GLY C C 174.265 0.1 1 1035 115 105 GLY CA C 47.662 0.15 1 1036 115 105 GLY N N 107.566 0.05 1 1037 116 106 ILE H H 8.115 0.01 1 1038 116 106 ILE HA H 3.186 0.05 1 1039 116 106 ILE HB H 1.626 0.05 1 1040 116 106 ILE HG12 H 0.594 0.05 2 1041 116 106 ILE HG13 H 0.165 0.05 2 1042 116 106 ILE HG2 H 0.232 0.05 1 1043 116 106 ILE HD1 H 0.226 0.05 1 1044 116 106 ILE C C 177.357 0.1 1 1045 116 106 ILE CA C 62.697 0.15 1 1046 116 106 ILE CB C 35.085 0.15 1 1047 116 106 ILE CG2 C 16.752 0.2 1 1048 116 106 ILE CD1 C 13.821 0.2 1 1049 116 106 ILE N N 122.203 0.05 1 1050 117 107 ARG H H 8.072 0.01 1 1051 117 107 ARG HA H 3.598 0.05 1 1052 117 107 ARG HB2 H 1.704 0.05 1 1053 117 107 ARG HB3 H 1.704 0.05 1 1054 117 107 ARG HG2 H 1.704 0.05 2 1055 117 107 ARG HG3 H 1.514 0.05 2 1056 117 107 ARG HD2 H 3.050 0.05 1 1057 117 107 ARG HD3 H 3.050 0.05 1 1058 117 107 ARG C C 179.471 0.1 1 1059 117 107 ARG CA C 59.532 0.15 1 1060 117 107 ARG CB C 29.514 0.15 1 1061 117 107 ARG CG C 27.523 0.2 1 1062 117 107 ARG CD C 43.087 0.2 1 1063 117 107 ARG N N 117.925 0.05 1 1064 118 108 ARG H H 7.940 0.01 1 1065 118 108 ARG HA H 3.944 0.05 1 1066 118 108 ARG HB2 H 1.904 0.05 2 1067 118 108 ARG HB3 H 1.705 0.05 2 1068 118 108 ARG HG2 H 1.904 0.05 2 1069 118 108 ARG HG3 H 1.705 0.05 2 1070 118 108 ARG HD2 H 3.229 0.05 1 1071 118 108 ARG HD3 H 3.229 0.05 1 1072 118 108 ARG C C 177.532 0.1 1 1073 118 108 ARG CA C 58.824 0.15 1 1074 118 108 ARG CB C 30.109 0.15 1 1075 118 108 ARG CG C 27.563 0.2 1 1076 118 108 ARG CD C 43.515 0.2 1 1077 118 108 ARG N N 119.655 0.05 1 1078 119 109 ALA H H 7.708 0.01 1 1079 119 109 ALA HA H 3.169 0.05 1 1080 119 109 ALA HB H 0.521 0.05 1 1081 119 109 ALA C C 178.293 0.1 1 1082 119 109 ALA CA C 55.183 0.15 1 1083 119 109 ALA CB C 17.543 0.15 1 1084 119 109 ALA N N 122.392 0.05 1 1085 120 110 ILE H H 8.092 0.01 1 1086 120 110 ILE HA H 3.255 0.05 1 1087 120 110 ILE HB H 1.845 0.05 1 1088 120 110 ILE HG12 H 1.631 0.05 1 1089 120 110 ILE HG13 H 1.631 0.05 1 1090 120 110 ILE HG2 H 0.823 0.05 1 1091 120 110 ILE HD1 H 0.619 0.05 1 1092 120 110 ILE C C 176.739 0.1 1 1093 120 110 ILE CA C 64.143 0.15 1 1094 120 110 ILE CB C 36.933 0.15 1 1095 120 110 ILE CG1 C 28.071 0.2 1 1096 120 110 ILE CG2 C 17.365 0.2 1 1097 120 110 ILE CD1 C 12.686 0.2 1 1098 120 110 ILE N N 115.752 0.05 1 1099 121 111 GLU H H 7.920 0.01 1 1100 121 111 GLU HA H 3.909 0.05 1 1101 121 111 GLU HB2 H 2.190 0.05 1 1102 121 111 GLU HB3 H 2.190 0.05 1 1103 121 111 GLU HG2 H 2.343 0.05 1 1104 121 111 GLU HG3 H 2.343 0.05 1 1105 121 111 GLU C C 178.669 0.1 1 1106 121 111 GLU CA C 59.425 0.15 1 1107 121 111 GLU CB C 29.280 0.15 1 1108 121 111 GLU CG C 36.343 0.2 1 1109 121 111 GLU N N 122.044 0.05 1 1110 122 112 ASP H H 7.906 0.01 1 1111 122 112 ASP HA H 4.490 0.05 1 1112 122 112 ASP HB2 H 2.895 0.05 1 1113 122 112 ASP HB3 H 2.895 0.05 1 1114 122 112 ASP C C 179.294 0.1 1 1115 122 112 ASP CA C 56.691 0.15 1 1116 122 112 ASP CB C 40.160 0.15 1 1117 122 112 ASP N N 120.933 0.05 1 1118 123 113 ILE H H 8.084 0.01 1 1119 123 113 ILE HA H 3.618 0.05 1 1120 123 113 ILE HB H 1.575 0.05 1 1121 123 113 ILE HG2 H 0.819 0.05 1 1122 123 113 ILE HD1 H 0.829 0.05 1 1123 123 113 ILE C C 178.141 0.1 1 1124 123 113 ILE CA C 64.807 0.15 1 1125 123 113 ILE CB C 38.442 0.15 1 1126 123 113 ILE CG1 C 28.409 0.2 1 1127 123 113 ILE CG2 C 17.362 0.2 1 1128 123 113 ILE CD1 C 14.176 0.2 1 1129 123 113 ILE N N 122.555 0.05 1 1130 124 114 SER H H 7.968 0.01 1 1131 124 114 SER HA H 4.312 0.05 1 1132 124 114 SER HB2 H 3.977 0.05 1 1133 124 114 SER HB3 H 3.977 0.05 1 1134 124 114 SER C C 175.003 0.1 1 1135 124 114 SER CA C 60.189 0.15 1 1136 124 114 SER CB C 63.385 0.15 1 1137 124 114 SER N N 115.456 0.05 1 1138 125 115 GLN H H 7.982 0.01 1 1139 125 115 GLN HA H 4.312 0.05 1 1140 125 115 GLN HB2 H 2.146 0.05 1 1141 125 115 GLN HB3 H 2.146 0.05 1 1142 125 115 GLN HG2 H 2.477 0.05 1 1143 125 115 GLN HG3 H 2.477 0.05 1 1144 125 115 GLN HE21 H 7.536 0.05 2 1145 125 115 GLN HE22 H 6.842 0.05 2 1146 125 115 GLN C C 176.670 0.1 1 1147 125 115 GLN CA C 56.599 0.15 1 1148 125 115 GLN CB C 29.243 0.15 1 1149 125 115 GLN CG C 33.854 0.2 1 1150 125 115 GLN CD C 180.461 0.2 1 1151 125 115 GLN N N 120.044 0.05 1 1152 125 115 GLN NE2 N 112.237 0.05 1 1153 126 116 GLY H H 8.148 0.01 1 1154 126 116 GLY HA2 H 4.031 0.05 1 1155 126 116 GLY HA3 H 4.031 0.05 1 1156 126 116 GLY C C 173.746 0.1 1 1157 126 116 GLY CA C 45.480 0.15 1 1158 126 116 GLY N N 108.479 0.05 1 1159 127 117 CYS H H 8.175 0.01 1 1160 127 117 CYS HA H 4.790 0.05 1 1161 127 117 CYS HB2 H 2.942 0.05 1 1162 127 117 CYS HB3 H 2.942 0.05 1 1163 127 117 CYS CA C 56.652 0.15 1 1164 127 117 CYS CB C 27.676 0.15 1 1165 127 117 CYS N N 119.823 0.05 1 1166 128 118 PRO HA H 4.490 0.05 1 1167 128 118 PRO HB2 H 2.034 0.05 2 1168 128 118 PRO HB3 H 2.338 0.05 2 1169 128 118 PRO HG2 H 2.034 0.05 1 1170 128 118 PRO HG3 H 2.034 0.05 1 1171 128 118 PRO HD2 H 3.783 0.05 1 1172 128 118 PRO HD3 H 3.783 0.05 1 1173 128 118 PRO C C 176.895 0.1 1 1174 128 118 PRO CA C 63.396 0.15 1 1175 128 118 PRO CB C 32.206 0.15 1 1176 128 118 PRO CG C 27.241 0.2 1 1177 128 118 PRO CD C 50.793 0.2 1 1178 129 119 GLU H H 8.542 0.01 1 1179 129 119 GLU HA H 4.312 0.05 1 1180 129 119 GLU HB2 H 2.021 0.05 1 1181 129 119 GLU HB3 H 2.021 0.05 1 1182 129 119 GLU HG2 H 2.302 0.05 1 1183 129 119 GLU HG3 H 2.302 0.05 1 1184 129 119 GLU C C 175.764 0.1 1 1185 129 119 GLU CA C 56.770 0.15 1 1186 129 119 GLU CB C 30.475 0.15 1 1187 129 119 GLU CG C 36.346 0.2 1 1188 129 119 GLU N N 121.265 0.05 1 1189 130 120 SER H H 7.952 0.01 1 1190 130 120 SER HA H 4.265 0.05 1 1191 130 120 SER HB2 H 3.856 0.05 1 1192 130 120 SER HB3 H 3.856 0.05 1 1193 130 120 SER CA C 59.858 0.15 1 1194 130 120 SER CB C 64.870 0.15 1 1195 130 120 SER N N 122.063 0.05 1 stop_ save_