data_26818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone and side chain chemical shift assignments of CHIP-TPR ; _BMRB_accession_number 26818 _BMRB_flat_file_name bmr26818.str _Entry_type original _Submission_date 2016-06-17 _Accession_date 2016-06-17 _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 Zhang Huaqun . . 2 Page Richard C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 625 "13C chemical shifts" 479 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 update BMRB 'update entry citation' 2016-10-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26819 CHIP-TPR/Hsp70p1 stop_ _Original_release_date 2016-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C resonance assignments for free and IEEVD peptide-bound forms of the tetratricopeptide repeat domain from the human E3 ubiquitin ligase CHIP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27709416 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Huaqun . . 2 McGlone Cameron . . 3 Mannion Matthew M. . 4 Page Richard C. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _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 5 _Page_last 9 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CHIP-TPR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CHIP-TPR $CHIP-TPR 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_CHIP-TPR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHIP-TPR _Molecular_mass 15860 _Mol_thiol_state 'all free' loop_ _Biological_function 'Binding domain of Ubiquitin ligase to Hsp70/Hsp90' stop_ _Details 'Assignments of the first 5 residues are not included.' ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; GAMGSEKSPSAQELKEQGNR LFVGRKYPEAAACYGRAITR NPLVAVYYTNRALCYLKMQQ HEQALADCRRALELDGQSVK AHFFLGQCQLEMESYDEAIA NLQRAYSLAKEQRLNFGDDI PSALRIAKKKRWNSIEERR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 16 GLY 2 17 ALA 3 18 MET 4 19 GLY 5 20 SER 6 21 GLU 7 22 LYS 8 23 SER 9 24 PRO 10 25 SER 11 26 ALA 12 27 GLN 13 28 GLU 14 29 LEU 15 30 LYS 16 31 GLU 17 32 GLN 18 33 GLY 19 34 ASN 20 35 ARG 21 36 LEU 22 37 PHE 23 38 VAL 24 39 GLY 25 40 ARG 26 41 LYS 27 42 TYR 28 43 PRO 29 44 GLU 30 45 ALA 31 46 ALA 32 47 ALA 33 48 CYS 34 49 TYR 35 50 GLY 36 51 ARG 37 52 ALA 38 53 ILE 39 54 THR 40 55 ARG 41 56 ASN 42 57 PRO 43 58 LEU 44 59 VAL 45 60 ALA 46 61 VAL 47 62 TYR 48 63 TYR 49 64 THR 50 65 ASN 51 66 ARG 52 67 ALA 53 68 LEU 54 69 CYS 55 70 TYR 56 71 LEU 57 72 LYS 58 73 MET 59 74 GLN 60 75 GLN 61 76 HIS 62 77 GLU 63 78 GLN 64 79 ALA 65 80 LEU 66 81 ALA 67 82 ASP 68 83 CYS 69 84 ARG 70 85 ARG 71 86 ALA 72 87 LEU 73 88 GLU 74 89 LEU 75 90 ASP 76 91 GLY 77 92 GLN 78 93 SER 79 94 VAL 80 95 LYS 81 96 ALA 82 97 HIS 83 98 PHE 84 99 PHE 85 100 LEU 86 101 GLY 87 102 GLN 88 103 CYS 89 104 GLN 90 105 LEU 91 106 GLU 92 107 MET 93 108 GLU 94 109 SER 95 110 TYR 96 111 ASP 97 112 GLU 98 113 ALA 99 114 ILE 100 115 ALA 101 116 ASN 102 117 LEU 103 118 GLN 104 119 ARG 105 120 ALA 106 121 TYR 107 122 SER 108 123 LEU 109 124 ALA 110 125 LYS 111 126 GLU 112 127 GLN 113 128 ARG 114 129 LEU 115 130 ASN 116 131 PHE 117 132 GLY 118 133 ASP 119 134 ASP 120 135 ILE 121 136 PRO 122 137 SER 123 138 ALA 124 139 LEU 125 140 ARG 126 141 ILE 127 142 ALA 128 143 LYS 129 144 LYS 130 145 LYS 131 146 ARG 132 147 TRP 133 148 ASN 134 149 SER 135 150 ILE 136 151 GLU 137 152 GLU 138 153 ARG 139 154 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q9UNE7 'E3 ubiquitin-protein ligase CHIP' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CHIP-TPR 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 $CHIP-TPR 'recombinant technology' . Escherichia coli BL21 pHis//2 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CHIP-TPR 0.45 mM 0.4 0.5 '[U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' HEPES 20 mM . . 'natural abundance' beta-mercaptoethanol 5 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 8.1 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2012.090.12.09 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-TCOSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TCOSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 pH 7.0 . pH temperature 293 . 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 carbon' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.000000000 '[15N] ammonium chloride' N 15 nitrogen ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D HCCH-TCOSY' '3D CBCA(CO)NH' '3D HNCACB' 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 CHIP-TPR _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 21 6 GLU H H 8.501 0.030 1 2 21 6 GLU HA H 4.162 0.030 1 3 21 6 GLU HB2 H 1.872 0.030 2 4 21 6 GLU HB3 H 1.919 0.030 2 5 21 6 GLU HG2 H 2.121 0.030 2 6 21 6 GLU HG3 H 2.172 0.030 2 7 21 6 GLU C C 173.671 0.300 1 8 21 6 GLU CA C 54.109 0.300 1 9 21 6 GLU CB C 27.304 0.300 1 10 21 6 GLU CG C 33.525 0.300 1 11 21 6 GLU N N 122.847 0.300 1 12 22 7 LYS H H 8.238 0.030 1 13 22 7 LYS HA H 4.259 0.030 1 14 22 7 LYS HB2 H 1.643 0.030 2 15 22 7 LYS HB3 H 1.7 0.030 2 16 22 7 LYS HG2 H 1.302 0.030 2 17 22 7 LYS HG3 H 1.302 0.030 2 18 22 7 LYS HD2 H 1.557 0.030 2 19 22 7 LYS HD3 H 1.557 0.030 2 20 22 7 LYS HE2 H 2.883 0.030 2 21 22 7 LYS HE3 H 2.883 0.030 2 22 22 7 LYS C C 173.553 0.300 1 23 22 7 LYS CA C 53.269 0.300 1 24 22 7 LYS CB C 30.411 0.300 1 25 22 7 LYS CG C 24.23 0.300 1 26 22 7 LYS CD C 27.823 0.300 1 27 22 7 LYS CE C 40.693 0.300 1 28 22 7 LYS N N 122.29 0.300 1 29 23 8 SER H H 8.28 0.030 1 30 23 8 SER CA C 53.325 0.300 1 31 23 8 SER CB C 61.55 0.300 1 32 23 8 SER N N 118.767 0.300 1 33 24 9 PRO HA H 4.452 0.030 1 34 24 9 PRO HB2 H 2.136 0.030 2 35 24 9 PRO HB3 H 1.683 0.030 2 36 24 9 PRO HG2 H 1.817 0.030 2 37 24 9 PRO HG3 H 1.879 0.030 2 38 24 9 PRO CA C 60.11 0.300 1 39 24 9 PRO CB C 29.459 0.300 1 40 24 9 PRO CG C 25.018 0.300 1 41 24 9 PRO CD C 48.124 0.300 1 42 25 10 SER H H 8.686 0.030 1 43 25 10 SER HA H 4.332 0.030 1 44 25 10 SER HB2 H 3.968 0.030 2 45 25 10 SER HB3 H 3.968 0.030 2 46 25 10 SER C C 171.808 0.300 1 47 25 10 SER CA C 54.421 0.300 1 48 25 10 SER CB C 62.394 0.300 1 49 25 10 SER N N 117.574 0.300 1 50 26 11 ALA H H 8.926 0.030 1 51 26 11 ALA HA H 3.827 0.030 1 52 26 11 ALA HB H 1.547 0.030 1 53 26 11 ALA C C 175.911 0.300 1 54 26 11 ALA CA C 53.119 0.300 1 55 26 11 ALA CB C 15.653 0.300 1 56 26 11 ALA N N 123.481 0.300 1 57 27 12 GLN H H 8.231 0.030 1 58 27 12 GLN HA H 3.975 0.030 1 59 27 12 GLN HB2 H 2.167 0.030 2 60 27 12 GLN HB3 H 1.982 0.030 2 61 27 12 GLN HG2 H 2.473 0.030 2 62 27 12 GLN HG3 H 2.288 0.030 2 63 27 12 GLN C C 175.635 0.300 1 64 27 12 GLN CA C 56.351 0.300 1 65 27 12 GLN CB C 25.266 0.300 1 66 27 12 GLN CG C 31.909 0.300 1 67 27 12 GLN N N 115.726 0.300 1 68 28 13 GLU H H 7.766 0.030 1 69 28 13 GLU HA H 4.114 0.030 1 70 28 13 GLU HB2 H 2.091 0.030 2 71 28 13 GLU HB3 H 1.933 0.030 2 72 28 13 GLU HG2 H 1.85 0.030 2 73 28 13 GLU HG3 H 1.85 0.030 2 74 28 13 GLU C C 177.2 0.300 1 75 28 13 GLU CA C 56.611 0.300 1 76 28 13 GLU CB C 27.196 0.300 1 77 28 13 GLU CG C 33.413 0.300 1 78 28 13 GLU N N 120.384 0.300 1 79 29 14 LEU H H 8.099 0.030 1 80 29 14 LEU HA H 3.985 0.030 1 81 29 14 LEU HB2 H 1.121 0.030 2 82 29 14 LEU HB3 H 1.121 0.030 2 83 29 14 LEU C C 175.996 0.300 1 84 29 14 LEU CA C 54.826 0.300 1 85 29 14 LEU CB C 40.718 0.300 1 86 29 14 LEU CG C 28.641 0.300 1 87 29 14 LEU CD1 C 24.49 0.300 2 88 29 14 LEU CD2 C 24.49 0.300 2 89 29 14 LEU N N 122.108 0.300 1 90 30 15 LYS H H 8.224 0.030 1 91 30 15 LYS HA H 3.686 0.030 1 92 30 15 LYS HB2 H 1.682 0.030 2 93 30 15 LYS HB3 H 1.682 0.030 2 94 30 15 LYS HG2 H 1.428 0.030 2 95 30 15 LYS HG3 H 1.428 0.030 2 96 30 15 LYS HE2 H 2.949 0.030 2 97 30 15 LYS HE3 H 2.949 0.030 2 98 30 15 LYS C C 175.496 0.300 1 99 30 15 LYS CA C 57.063 0.300 1 100 30 15 LYS CB C 27.695 0.300 1 101 30 15 LYS CG C 25.515 0.300 1 102 30 15 LYS CD C 26.742 0.300 1 103 30 15 LYS CE C 40.532 0.300 1 104 30 15 LYS N N 120.96 0.300 1 105 31 16 GLU H H 8.012 0.030 1 106 31 16 GLU HA H 4.129 0.030 1 107 31 16 GLU HB2 H 2.012 0.030 2 108 31 16 GLU HB3 H 2.012 0.030 2 109 31 16 GLU C C 176.64 0.300 1 110 31 16 GLU CA C 56.598 0.300 1 111 31 16 GLU CB C 26.241 0.300 1 112 31 16 GLU CG C 33.629 0.300 1 113 31 16 GLU N N 118.924 0.300 1 114 32 17 GLN H H 8.177 0.030 1 115 32 17 GLN HA H 3.861 0.030 1 116 32 17 GLN HB2 H 1.997 0.030 2 117 32 17 GLN HB3 H 2.271 0.030 2 118 32 17 GLN HG2 H 2.388 0.030 2 119 32 17 GLN HG3 H 2.443 0.030 2 120 32 17 GLN C C 176.216 0.300 1 121 32 17 GLN CA C 56.296 0.300 1 122 32 17 GLN CB C 25.34 0.300 1 123 32 17 GLN CG C 31.91 0.300 1 124 32 17 GLN N N 120.887 0.300 1 125 33 18 GLY H H 8.395 0.030 1 126 33 18 GLY HA2 H 3.201 0.030 2 127 33 18 GLY HA3 H 3.201 0.030 2 128 33 18 GLY C C 171.718 0.300 1 129 33 18 GLY CA C 44.643 0.300 1 130 33 18 GLY N N 108.205 0.300 1 131 34 19 ASN H H 8.496 0.030 1 132 34 19 ASN HA H 4.451 0.030 1 133 34 19 ASN HB2 H 3.106 0.030 2 134 34 19 ASN HB3 H 2.906 0.030 2 135 34 19 ASN C C 174.793 0.300 1 136 34 19 ASN CA C 53.27 0.300 1 137 34 19 ASN CB C 34.892 0.300 1 138 34 19 ASN N N 120.296 0.300 1 139 35 20 ARG H H 7.869 0.030 1 140 35 20 ARG HA H 3.944 0.030 1 141 35 20 ARG HB2 H 1.783 0.030 2 142 35 20 ARG HB3 H 1.917 0.030 2 143 35 20 ARG HG2 H 1.637 0.030 2 144 35 20 ARG HG3 H 1.507 0.030 2 145 35 20 ARG HD2 H 3.168 0.030 2 146 35 20 ARG HD3 H 3.056 0.030 2 147 35 20 ARG C C 177.584 0.300 1 148 35 20 ARG CA C 57.061 0.300 1 149 35 20 ARG CB C 27.441 0.300 1 150 35 20 ARG CG C 25.167 0.300 1 151 35 20 ARG CD C 40.65 0.300 1 152 35 20 ARG N N 119.948 0.300 1 153 36 21 LEU H H 7.946 0.030 1 154 36 21 LEU HA H 3.909 0.030 1 155 36 21 LEU C C 175.185 0.300 1 156 36 21 LEU CA C 55.056 0.300 1 157 36 21 LEU CB C 38.746 0.300 1 158 36 21 LEU CG C 23.751 0.300 1 159 36 21 LEU N N 122.305 0.300 1 160 37 22 PHE H H 8.863 0.030 1 161 37 22 PHE HA H 3.591 0.030 1 162 37 22 PHE HB2 H 3.087 0.030 2 163 37 22 PHE HB3 H 3.087 0.030 2 164 37 22 PHE C C 177.566 0.300 1 165 37 22 PHE CA C 60.184 0.300 1 166 37 22 PHE CB C 37.156 0.300 1 167 37 22 PHE N N 122.15 0.300 1 168 38 23 VAL H H 8.441 0.030 1 169 38 23 VAL HA H 3.605 0.030 1 170 38 23 VAL HB H 2.15 0.030 1 171 38 23 VAL HG1 H 1.134 0.030 2 172 38 23 VAL HG2 H 0.938 0.030 2 173 38 23 VAL C C 174.871 0.300 1 174 38 23 VAL CA C 63.359 0.300 1 175 38 23 VAL CB C 28.977 0.300 1 176 38 23 VAL CG1 C 20.014 0.300 2 177 38 23 VAL CG2 C 18.451 0.300 2 178 38 23 VAL N N 122.223 0.300 1 179 39 24 GLY H H 7.335 0.030 1 180 39 24 GLY HA2 H 4 0.030 2 181 39 24 GLY HA3 H 3.396 0.030 2 182 39 24 GLY C C 169.836 0.300 1 183 39 24 GLY CA C 42.349 0.300 1 184 39 24 GLY N N 106.462 0.300 1 185 40 25 ARG H H 7.526 0.030 1 186 40 25 ARG HA H 2.629 0.030 1 187 40 25 ARG HB2 H 1.845 0.030 2 188 40 25 ARG HB3 H 1.735 0.030 2 189 40 25 ARG HG2 H 1.261 0.030 2 190 40 25 ARG HG3 H 1.261 0.030 2 191 40 25 ARG HD2 H 3.104 0.030 2 192 40 25 ARG HD3 H 3.104 0.030 2 193 40 25 ARG C C 172.073 0.300 1 194 40 25 ARG CA C 53.863 0.300 1 195 40 25 ARG CB C 23.58 0.300 1 196 40 25 ARG CG C 24.874 0.300 1 197 40 25 ARG CD C 40.891 0.300 1 198 40 25 ARG N N 113.579 0.300 1 199 41 26 LYS H H 7.707 0.030 1 200 41 26 LYS HA H 4.332 0.030 1 201 41 26 LYS HB2 H 1.699 0.030 2 202 41 26 LYS HB3 H 1.582 0.030 2 203 41 26 LYS HG2 H 1.125 0.030 2 204 41 26 LYS HG3 H 1.004 0.030 2 205 41 26 LYS HD2 H 1.382 0.030 2 206 41 26 LYS HD3 H 1.543 0.030 2 207 41 26 LYS C C 173.489 0.300 1 208 41 26 LYS CA C 50.505 0.300 1 209 41 26 LYS CB C 26.608 0.300 1 210 41 26 LYS CG C 20.918 0.300 1 211 41 26 LYS N N 121.726 0.300 1 212 42 27 TYR H H 6.948 0.030 1 213 42 27 TYR HB2 H 2.901 0.030 2 214 42 27 TYR HB3 H 2.901 0.030 2 215 42 27 TYR C C 171.737 0.300 1 216 42 27 TYR CA C 60.038 0.300 1 217 42 27 TYR CB C 32.832 0.300 1 218 42 27 TYR N N 117.789 0.300 1 219 43 28 PRO HA H 4.171 0.030 1 220 43 28 PRO HB2 H 2.24 0.030 2 221 43 28 PRO HB3 H 1.742 0.030 2 222 43 28 PRO HG2 H 2.014 0.030 2 223 43 28 PRO HG3 H 2.014 0.030 2 224 43 28 PRO C C 177.895 0.300 1 225 43 28 PRO CA C 63.51 0.300 1 226 43 28 PRO CB C 27.951 0.300 1 227 43 28 PRO CG C 25.582 0.300 1 228 43 28 PRO N N 117.801 0.300 1 229 44 29 GLU H H 8.757 0.030 1 230 44 29 GLU HA H 3.852 0.030 1 231 44 29 GLU HB2 H 1.957 0.030 2 232 44 29 GLU HB3 H 1.799 0.030 2 233 44 29 GLU HG2 H 2.4 0.030 2 234 44 29 GLU HG3 H 2.096 0.030 2 235 44 29 GLU C C 177.112 0.300 1 236 44 29 GLU CA C 57.814 0.300 1 237 44 29 GLU CB C 25.802 0.300 1 238 44 29 GLU CG C 34.545 0.300 1 239 44 29 GLU N N 120.27 0.300 1 240 45 30 ALA H H 8.708 0.030 1 241 45 30 ALA HA H 3.809 0.030 1 242 45 30 ALA HB H 1.555 0.030 1 243 45 30 ALA C C 175.629 0.300 1 244 45 30 ALA CA C 53.181 0.300 1 245 45 30 ALA CB C 15.619 0.300 1 246 45 30 ALA N N 124.667 0.300 1 247 46 31 ALA H H 8.725 0.030 1 248 46 31 ALA HA H 3.867 0.030 1 249 46 31 ALA HB H 1.088 0.030 1 250 46 31 ALA C C 177.536 0.300 1 251 46 31 ALA CA C 53.117 0.300 1 252 46 31 ALA CB C 14.448 0.300 1 253 46 31 ALA N N 120.146 0.300 1 254 47 32 ALA H H 7.729 0.030 1 255 47 32 ALA HA H 4.042 0.030 1 256 47 32 ALA HB H 1.387 0.030 1 257 47 32 ALA C C 178.108 0.300 1 258 47 32 ALA CA C 52.047 0.300 1 259 47 32 ALA CB C 14.959 0.300 1 260 47 32 ALA N N 120.176 0.300 1 261 48 33 CYS H H 7.524 0.030 1 262 48 33 CYS HA H 3.796 0.030 1 263 48 33 CYS HB2 H 2.667 0.030 2 264 48 33 CYS HB3 H 2.479 0.030 2 265 48 33 CYS C C 174.633 0.300 1 266 48 33 CYS CA C 61.913 0.300 1 267 48 33 CYS CB C 23.032 0.300 1 268 48 33 CYS N N 119.297 0.300 1 269 49 34 TYR H H 8.275 0.030 1 270 49 34 TYR HA H 3.998 0.030 1 271 49 34 TYR HB2 H 2.531 0.030 2 272 49 34 TYR HB3 H 2.531 0.030 2 273 49 34 TYR C C 175.531 0.300 1 274 49 34 TYR CA C 57.984 0.300 1 275 49 34 TYR CB C 34.569 0.300 1 276 49 34 TYR N N 117.799 0.300 1 277 50 35 GLY H H 8.495 0.030 1 278 50 35 GLY HA2 H 3.913 0.030 2 279 50 35 GLY HA3 H 3.913 0.030 2 280 50 35 GLY C C 173.725 0.300 1 281 50 35 GLY CA C 44.548 0.300 1 282 50 35 GLY N N 105.618 0.300 1 283 51 36 ARG H H 7.661 0.030 1 284 51 36 ARG HA H 3.989 0.030 1 285 51 36 ARG HB2 H 1.881 0.030 2 286 51 36 ARG HB3 H 1.881 0.030 2 287 51 36 ARG HG2 H 1.503 0.030 2 288 51 36 ARG HG3 H 1.503 0.030 2 289 51 36 ARG C C 176.284 0.300 1 290 51 36 ARG CA C 56.74 0.300 1 291 51 36 ARG CB C 28.122 0.300 1 292 51 36 ARG CG C 25.167 0.300 1 293 51 36 ARG CD C 33.544 0.300 1 294 51 36 ARG N N 122.685 0.300 1 295 52 37 ALA H H 7.74 0.030 1 296 52 37 ALA HA H 3.557 0.030 1 297 52 37 ALA HB H 0.705 0.030 1 298 52 37 ALA C C 175.419 0.300 1 299 52 37 ALA CA C 53.061 0.300 1 300 52 37 ALA CB C 13.185 0.300 1 301 52 37 ALA N N 125.21 0.300 1 302 53 38 ILE H H 7.98 0.030 1 303 53 38 ILE HA H 3.511 0.030 1 304 53 38 ILE HB H 1.651 0.030 1 305 53 38 ILE HG2 H 0.737 0.030 1 306 53 38 ILE C C 174.199 0.300 1 307 53 38 ILE CA C 62.234 0.300 1 308 53 38 ILE CB C 35.711 0.300 1 309 53 38 ILE N N 119.483 0.300 1 310 54 39 THR H H 7.611 0.030 1 311 54 39 THR HA H 3.785 0.030 1 312 54 39 THR HB H 4.073 0.030 1 313 54 39 THR HG2 H 1.15 0.030 1 314 54 39 THR C C 173.753 0.300 1 315 54 39 THR CA C 63.391 0.300 1 316 54 39 THR CB C 66.122 0.300 1 317 54 39 THR CG2 C 19.159 0.300 1 318 54 39 THR N N 112.259 0.300 1 319 55 40 ARG H H 7.207 0.030 1 320 55 40 ARG HA H 4.067 0.030 1 321 55 40 ARG HB2 H 1.917 0.030 2 322 55 40 ARG HB3 H 1.814 0.030 2 323 55 40 ARG HD2 H 3.058 0.030 2 324 55 40 ARG HD3 H 3.058 0.030 2 325 55 40 ARG C C 174.352 0.300 1 326 55 40 ARG CA C 54.829 0.300 1 327 55 40 ARG CB C 27.421 0.300 1 328 55 40 ARG CG C 33.629 0.300 1 329 55 40 ARG CD C 40.838 0.300 1 330 55 40 ARG N N 118.823 0.300 1 331 56 41 ASN H H 8.278 0.030 1 332 56 41 ASN HA H 4.972 0.030 1 333 56 41 ASN HB2 H 3.1 0.030 2 334 56 41 ASN HB3 H 2.669 0.030 2 335 56 41 ASN C C 175.794 0.300 1 336 56 41 ASN CA C 48.491 0.300 1 337 56 41 ASN CB C 36.771 0.300 1 338 56 41 ASN N N 115.738 0.300 1 339 57 42 PRO HA H 4.929 0.030 1 340 57 42 PRO HB2 H 2.377 0.030 2 341 57 42 PRO HB3 H 2.075 0.030 2 342 57 42 PRO C C 175.867 0.300 1 343 57 42 PRO CA C 61.497 0.300 1 344 57 42 PRO CB C 29.384 0.300 1 345 57 42 PRO CG C 23.787 0.300 1 346 57 42 PRO N N 115.741 0.300 1 347 58 43 LEU H H 7.756 0.030 1 348 58 43 LEU HA H 4.625 0.030 1 349 58 43 LEU HB2 H 1.699 0.030 2 350 58 43 LEU HB3 H 1.449 0.030 2 351 58 43 LEU HD1 H 0.872 0.030 2 352 58 43 LEU HD2 H 0.712 0.030 2 353 58 43 LEU C C 173.257 0.300 1 354 58 43 LEU CA C 51.635 0.300 1 355 58 43 LEU CB C 38.147 0.300 1 356 58 43 LEU CD1 C 22.549 0.300 2 357 58 43 LEU CD2 C 19.665 0.300 2 358 58 43 LEU N N 119.745 0.300 1 359 59 44 VAL H H 7.583 0.030 1 360 59 44 VAL HA H 3.937 0.030 1 361 59 44 VAL HB H 1.19 0.030 1 362 59 44 VAL HG1 H 0.578 0.030 2 363 59 44 VAL HG2 H 0.264 0.030 2 364 59 44 VAL C C 173.286 0.300 1 365 59 44 VAL CA C 59.321 0.300 1 366 59 44 VAL CB C 29.265 0.300 1 367 59 44 VAL CG1 C 19.043 0.300 2 368 59 44 VAL CG2 C 17.609 0.300 2 369 59 44 VAL N N 121.733 0.300 1 370 60 45 ALA H H 8.637 0.030 1 371 60 45 ALA HA H 3.958 0.030 1 372 60 45 ALA HB H 1.48 0.030 1 373 60 45 ALA C C 177.104 0.300 1 374 60 45 ALA CA C 53.474 0.300 1 375 60 45 ALA CB C 16.84 0.300 1 376 60 45 ALA N N 130.987 0.300 1 377 61 46 VAL H H 8.002 0.030 1 378 61 46 VAL HA H 3.928 0.030 1 379 61 46 VAL HB H 1.897 0.030 1 380 61 46 VAL HG1 H 0.896 0.030 2 381 61 46 VAL HG2 H 0.677 0.030 2 382 61 46 VAL C C 173.765 0.300 1 383 61 46 VAL CA C 61.755 0.300 1 384 61 46 VAL CB C 28.906 0.300 1 385 61 46 VAL CG1 C 19.679 0.300 2 386 61 46 VAL CG2 C 17.66 0.300 2 387 61 46 VAL N N 113.297 0.300 1 388 62 47 TYR H H 6.736 0.030 1 389 62 47 TYR HA H 4.104 0.030 1 390 62 47 TYR HB2 H 2.915 0.030 2 391 62 47 TYR HB3 H 2.627 0.030 2 392 62 47 TYR C C 175.1 0.300 1 393 62 47 TYR CA C 55.507 0.300 1 394 62 47 TYR CB C 33.96 0.300 1 395 62 47 TYR N N 118.289 0.300 1 396 63 48 TYR H H 7.05 0.030 1 397 63 48 TYR HA H 3.89 0.030 1 398 63 48 TYR HB2 H 3.284 0.030 2 399 63 48 TYR HB3 H 2.923 0.030 2 400 63 48 TYR C C 175.645 0.300 1 401 63 48 TYR CA C 59.024 0.300 1 402 63 48 TYR CB C 35.491 0.300 1 403 63 48 TYR N N 115.609 0.300 1 404 64 49 THR H H 7.922 0.030 1 405 64 49 THR HA H 3.612 0.030 1 406 64 49 THR HB H 4.042 0.030 1 407 64 49 THR HG2 H 0.922 0.030 1 408 64 49 THR C C 172.866 0.300 1 409 64 49 THR CA C 63.609 0.300 1 410 64 49 THR CB C 64.615 0.300 1 411 64 49 THR N N 114.717 0.300 1 412 65 50 ASN H H 7.996 0.030 1 413 65 50 ASN HA H 3.9 0.030 1 414 65 50 ASN C C 175.145 0.300 1 415 65 50 ASN CA C 52.41 0.300 1 416 65 50 ASN CB C 32.496 0.300 1 417 65 50 ASN N N 118.704 0.300 1 418 66 51 ARG H H 7.616 0.030 1 419 66 51 ARG HA H 3.617 0.030 1 420 66 51 ARG HB2 H 1.339 0.030 2 421 66 51 ARG HB3 H 1.339 0.030 2 422 66 51 ARG C C 175.078 0.300 1 423 66 51 ARG CA C 59.139 0.300 1 424 66 51 ARG CB C 27.467 0.300 1 425 66 51 ARG CG C 30.289 0.300 1 426 66 51 ARG N N 122.466 0.300 1 427 67 52 ALA H H 8.802 0.030 1 428 67 52 ALA HA H 4.037 0.030 1 429 67 52 ALA HB H 1.649 0.030 1 430 67 52 ALA C C 176.876 0.300 1 431 67 52 ALA CA C 53.275 0.300 1 432 67 52 ALA CB C 16.994 0.300 1 433 67 52 ALA N N 121.992 0.300 1 434 68 53 LEU H H 7.222 0.030 1 435 68 53 LEU HA H 3.512 0.030 1 436 68 53 LEU HB2 H 1.383 0.030 2 437 68 53 LEU HB3 H 1.227 0.030 2 438 68 53 LEU HD1 H 0.311 0.030 2 439 68 53 LEU HD2 H 0.896 0.030 2 440 68 53 LEU C C 176.423 0.300 1 441 68 53 LEU CA C 54.653 0.300 1 442 68 53 LEU CB C 37.671 0.300 1 443 68 53 LEU N N 116.031 0.300 1 444 69 54 CYS H H 7.075 0.030 1 445 69 54 CYS HA H 3.803 0.030 1 446 69 54 CYS HB2 H 3.323 0.030 2 447 69 54 CYS HB3 H 2.556 0.030 2 448 69 54 CYS C C 173.637 0.300 1 449 69 54 CYS CA C 61.466 0.300 1 450 69 54 CYS CB C 24.11 0.300 1 451 69 54 CYS N N 116.07 0.300 1 452 70 55 TYR H H 7.911 0.030 1 453 70 55 TYR HA H 4.334 0.030 1 454 70 55 TYR HB2 H 2.726 0.030 2 455 70 55 TYR HB3 H 2.726 0.030 2 456 70 55 TYR C C 176.376 0.300 1 457 70 55 TYR CA C 57.365 0.300 1 458 70 55 TYR CB C 33.958 0.300 1 459 70 55 TYR N N 117.934 0.300 1 460 71 56 LEU H H 8.815 0.030 1 461 71 56 LEU HA H 3.602 0.030 1 462 71 56 LEU HB2 H 1.6 0.030 2 463 71 56 LEU HB3 H 1.476 0.030 2 464 71 56 LEU HG H 1.411 0.030 1 465 71 56 LEU HD1 H 0.65 0.030 2 466 71 56 LEU HD2 H 0.65 0.030 2 467 71 56 LEU C C 178.318 0.300 1 468 71 56 LEU CA C 56.054 0.300 1 469 71 56 LEU CB C 38.781 0.300 1 470 71 56 LEU CG C 24.277 0.300 1 471 71 56 LEU CD1 C 21.529 0.300 2 472 71 56 LEU CD2 C 21.529 0.300 2 473 71 56 LEU N N 122.823 0.300 1 474 72 57 LYS H H 7.799 0.030 1 475 72 57 LYS HA H 3.788 0.030 1 476 72 57 LYS HB2 H 1.202 0.030 2 477 72 57 LYS HB3 H 0.778 0.030 2 478 72 57 LYS HG2 H 1.366 0.030 2 479 72 57 LYS HG3 H 1.475 0.030 2 480 72 57 LYS HD2 H 1.814 0.030 2 481 72 57 LYS HD3 H 1.945 0.030 2 482 72 57 LYS HE2 H 3.122 0.030 2 483 72 57 LYS HE3 H 3.122 0.030 2 484 72 57 LYS C C 175.685 0.300 1 485 72 57 LYS CA C 54.293 0.300 1 486 72 57 LYS CB C 27.488 0.300 1 487 72 57 LYS CG C 21.782 0.300 1 488 72 57 LYS CD C 24.897 0.300 1 489 72 57 LYS N N 119.785 0.300 1 490 73 58 MET H H 7.34 0.030 1 491 73 58 MET HA H 4.216 0.030 1 492 73 58 MET HB2 H 2.504 0.030 2 493 73 58 MET HB3 H 1.913 0.030 2 494 73 58 MET C C 171.639 0.300 1 495 73 58 MET CA C 53.182 0.300 1 496 73 58 MET CB C 31.851 0.300 1 497 73 58 MET N N 116.383 0.300 1 498 74 59 GLN H H 7.747 0.030 1 499 74 59 GLN HA H 3.192 0.030 1 500 74 59 GLN HB2 H 2.262 0.030 2 501 74 59 GLN HB3 H 2.184 0.030 2 502 74 59 GLN C C 171.697 0.300 1 503 74 59 GLN CA C 54.569 0.300 1 504 74 59 GLN CB C 22.767 0.300 1 505 74 59 GLN CG C 31.751 0.300 1 506 74 59 GLN N N 113.449 0.300 1 507 75 60 GLN H H 8.188 0.030 1 508 75 60 GLN HA H 4.502 0.030 1 509 75 60 GLN HB2 H 2.026 0.030 2 510 75 60 GLN HB3 H 1.613 0.030 2 511 75 60 GLN HG2 H 2.171 0.030 2 512 75 60 GLN HG3 H 2.171 0.030 2 513 75 60 GLN C C 173.754 0.300 1 514 75 60 GLN CA C 50.461 0.300 1 515 75 60 GLN CB C 23.583 0.300 1 516 75 60 GLN CG C 36.019 0.300 1 517 75 60 GLN N N 119.594 0.300 1 518 76 61 HIS H H 7.154 0.030 1 519 76 61 HIS HA H 3.717 0.030 1 520 76 61 HIS HB2 H 2.79 0.030 2 521 76 61 HIS HB3 H 3.215 0.030 2 522 76 61 HIS C C 174.16 0.300 1 523 76 61 HIS CA C 59.493 0.300 1 524 76 61 HIS CB C 27.781 0.300 1 525 76 61 HIS N N 118.767 0.300 1 526 77 62 GLU H H 8.869 0.030 1 527 77 62 GLU HA H 3.75 0.030 1 528 77 62 GLU HB2 H 1.852 0.030 2 529 77 62 GLU HB3 H 1.814 0.030 2 530 77 62 GLU HG2 H 2.172 0.030 2 531 77 62 GLU HG3 H 2.127 0.030 2 532 77 62 GLU C C 176.879 0.300 1 533 77 62 GLU CA C 57.783 0.300 1 534 77 62 GLU CB C 25.931 0.300 1 535 77 62 GLU CG C 33.87 0.300 1 536 77 62 GLU N N 118.148 0.300 1 537 78 63 GLN H H 7.698 0.030 1 538 78 63 GLN HA H 3.723 0.030 1 539 78 63 GLN HB2 H 0.732 0.030 2 540 78 63 GLN HB3 H 1.087 0.030 2 541 78 63 GLN HG2 H 1.887 0.030 2 542 78 63 GLN HG3 H 1.819 0.030 2 543 78 63 GLN C C 175.832 0.300 1 544 78 63 GLN CA C 56.329 0.300 1 545 78 63 GLN CB C 23.812 0.300 1 546 78 63 GLN CG C 32.243 0.300 1 547 78 63 GLN N N 119.218 0.300 1 548 79 64 ALA H H 7.708 0.030 1 549 79 64 ALA HA H 4.112 0.030 1 550 79 64 ALA HB H 1.451 0.030 1 551 79 64 ALA C C 176.438 0.300 1 552 79 64 ALA CA C 53.092 0.300 1 553 79 64 ALA CB C 16.121 0.300 1 554 79 64 ALA N N 122.05 0.300 1 555 80 65 LEU H H 8.607 0.030 1 556 80 65 LEU HA H 3.705 0.030 1 557 80 65 LEU HB2 H 1.756 0.030 2 558 80 65 LEU HB3 H 1.614 0.030 2 559 80 65 LEU HG H 1.534 0.030 1 560 80 65 LEU HD1 H 0.724 0.030 2 561 80 65 LEU HD2 H 0.724 0.030 2 562 80 65 LEU C C 175.999 0.300 1 563 80 65 LEU CA C 56.16 0.300 1 564 80 65 LEU CB C 39.614 0.300 1 565 80 65 LEU CG C 23.662 0.300 1 566 80 65 LEU CD1 C 21.633 0.300 2 567 80 65 LEU CD2 C 21.633 0.300 2 568 80 65 LEU N N 120.273 0.300 1 569 81 66 ALA H H 7.296 0.030 1 570 81 66 ALA HA H 3.894 0.030 1 571 81 66 ALA HB H 1.388 0.030 1 572 81 66 ALA C C 178.369 0.300 1 573 81 66 ALA CA C 52.406 0.300 1 574 81 66 ALA CB C 15.18 0.300 1 575 81 66 ALA N N 119.073 0.300 1 576 82 67 ASP H H 7.55 0.030 1 577 82 67 ASP HA H 4.672 0.030 1 578 82 67 ASP HB2 H 3.212 0.030 2 579 82 67 ASP HB3 H 2.708 0.030 2 580 82 67 ASP C C 176.311 0.300 1 581 82 67 ASP CA C 55.155 0.300 1 582 82 67 ASP CB C 37.856 0.300 1 583 82 67 ASP N N 120.332 0.300 1 584 83 68 CYS H H 8.339 0.030 1 585 83 68 CYS HA H 3.834 0.030 1 586 83 68 CYS HB2 H 3.059 0.030 2 587 83 68 CYS HB3 H 3.107 0.030 2 588 83 68 CYS HG H 2.472 0.030 1 589 83 68 CYS C C 174.029 0.300 1 590 83 68 CYS CA C 62.711 0.300 1 591 83 68 CYS CB C 25.187 0.300 1 592 83 68 CYS N N 118.537 0.300 1 593 84 69 ARG H H 8.142 0.030 1 594 84 69 ARG HA H 3.689 0.030 1 595 84 69 ARG HB2 H 1.735 0.030 2 596 84 69 ARG HB3 H 1.541 0.030 2 597 84 69 ARG HG2 H 1.404 0.030 2 598 84 69 ARG HG3 H 1.404 0.030 2 599 84 69 ARG HD2 H 2.846 0.030 2 600 84 69 ARG HD3 H 2.959 0.030 2 601 84 69 ARG C C 176.443 0.300 1 602 84 69 ARG CA C 56.987 0.300 1 603 84 69 ARG CB C 26.701 0.300 1 604 84 69 ARG CG C 25.423 0.300 1 605 84 69 ARG CD C 39.243 0.300 1 606 84 69 ARG N N 116.733 0.300 1 607 85 70 ARG H H 7.579 0.030 1 608 85 70 ARG HA H 3.746 0.030 1 609 85 70 ARG HB2 H 1.458 0.030 2 610 85 70 ARG HB3 H 1.458 0.030 2 611 85 70 ARG HG2 H 1.103 0.030 2 612 85 70 ARG HG3 H 1.103 0.030 2 613 85 70 ARG C C 175.549 0.300 1 614 85 70 ARG CA C 55.222 0.300 1 615 85 70 ARG CB C 26.306 0.300 1 616 85 70 ARG CG C 23.303 0.300 1 617 85 70 ARG N N 120.175 0.300 1 618 86 71 ALA H H 8.074 0.030 1 619 86 71 ALA HA H 3.647 0.030 1 620 86 71 ALA HB H 1.368 0.030 1 621 86 71 ALA C C 176.632 0.300 1 622 86 71 ALA CA C 53.085 0.300 1 623 86 71 ALA CB C 16.331 0.300 1 624 86 71 ALA N N 120.672 0.300 1 625 87 72 LEU H H 7.499 0.030 1 626 87 72 LEU HA H 3.885 0.030 1 627 87 72 LEU HB2 H 1.096 0.030 2 628 87 72 LEU HB3 H 1.303 0.030 2 629 87 72 LEU HG H 1.495 0.030 1 630 87 72 LEU C C 176.368 0.300 1 631 87 72 LEU CA C 53.593 0.300 1 632 87 72 LEU CB C 39.175 0.300 1 633 87 72 LEU CG C 22.776 0.300 1 634 87 72 LEU N N 115.264 0.300 1 635 88 73 GLU H H 7.306 0.030 1 636 88 73 GLU HA H 3.817 0.030 1 637 88 73 GLU HB2 H 2.063 0.030 2 638 88 73 GLU HB3 H 1.843 0.030 2 639 88 73 GLU HG2 H 2.362 0.030 2 640 88 73 GLU HG3 H 2.362 0.030 2 641 88 73 GLU C C 175.821 0.300 1 642 88 73 GLU CA C 55.815 0.300 1 643 88 73 GLU CB C 27.014 0.300 1 644 88 73 GLU CG C 33.436 0.300 1 645 88 73 GLU N N 118.451 0.300 1 646 89 74 LEU H H 7.066 0.030 1 647 89 74 LEU HA H 4.111 0.030 1 648 89 74 LEU HB2 H 1.279 0.030 2 649 89 74 LEU HB3 H 1.459 0.030 2 650 89 74 LEU HD1 H 0.79 0.030 2 651 89 74 LEU HD2 H 0.79 0.030 2 652 89 74 LEU C C 174.807 0.300 1 653 89 74 LEU CA C 53.266 0.300 1 654 89 74 LEU CB C 40.957 0.300 1 655 89 74 LEU CG C 23.89 0.300 1 656 89 74 LEU CD1 C 19.506 0.300 2 657 89 74 LEU CD2 C 19.506 0.300 2 658 89 74 LEU N N 118.71 0.300 1 659 90 75 ASP H H 8.58 0.030 1 660 90 75 ASP HA H 4.544 0.030 1 661 90 75 ASP HB2 H 2.547 0.030 2 662 90 75 ASP HB3 H 2.309 0.030 2 663 90 75 ASP C C 172.591 0.300 1 664 90 75 ASP CA C 50.299 0.300 1 665 90 75 ASP CB C 38.137 0.300 1 666 90 75 ASP N N 120.107 0.300 1 667 91 76 GLY H H 8.523 0.030 1 668 91 76 GLY HA2 H 4.117 0.030 2 669 91 76 GLY HA3 H 3.695 0.030 2 670 91 76 GLY C C 171.975 0.300 1 671 91 76 GLY CA C 44.009 0.300 1 672 91 76 GLY N N 111.315 0.300 1 673 92 77 GLN H H 7.729 0.030 1 674 92 77 GLN HA H 4.348 0.030 1 675 92 77 GLN HB2 H 2.216 0.030 2 676 92 77 GLN HB3 H 2.099 0.030 2 677 92 77 GLN C C 172.356 0.300 1 678 92 77 GLN CA C 50.994 0.300 1 679 92 77 GLN CB C 26.08 0.300 1 680 92 77 GLN CG C 31.182 0.300 1 681 92 77 GLN N N 115.671 0.300 1 682 93 78 SER H H 6.751 0.030 1 683 93 78 SER HA H 4.257 0.030 1 684 93 78 SER HB2 H 3.874 0.030 2 685 93 78 SER HB3 H 4.043 0.030 2 686 93 78 SER CA C 55.285 0.300 1 687 93 78 SER CB C 59.508 0.300 1 688 93 78 SER N N 110.259 0.300 1 689 95 80 LYS HA H 4.056 0.030 1 690 95 80 LYS HB2 H 1.726 0.030 2 691 95 80 LYS HB3 H 1.726 0.030 2 692 95 80 LYS HG2 H 1.405 0.030 2 693 95 80 LYS HG3 H 1.036 0.030 2 694 95 80 LYS C C 172.942 0.300 1 695 95 80 LYS CA C 58.195 0.300 1 696 95 80 LYS CB C 35.889 0.300 1 697 95 80 LYS CG C 24.948 0.300 1 698 96 81 ALA H H 8.408 0.030 1 699 96 81 ALA HA H 4.161 0.030 1 700 96 81 ALA HB H 1.22 0.030 1 701 96 81 ALA C C 172.847 0.300 1 702 96 81 ALA CA C 49.503 0.300 1 703 96 81 ALA CB C 16.489 0.300 1 704 96 81 ALA N N 129.332 0.300 1 705 97 82 HIS H H 8.054 0.030 1 706 97 82 HIS HA H 4.325 0.030 1 707 97 82 HIS HB2 H 2.733 0.030 2 708 97 82 HIS HB3 H 2.733 0.030 2 709 97 82 HIS C C 170.445 0.300 1 710 97 82 HIS CA C 55.4 0.300 1 711 97 82 HIS CB C 25.542 0.300 1 712 97 82 HIS N N 118.44 0.300 1 713 98 83 PHE H H 7.625 0.030 1 714 98 83 PHE HA H 4.098 0.030 1 715 98 83 PHE HB2 H 2.811 0.030 2 716 98 83 PHE HB3 H 2.811 0.030 2 717 98 83 PHE CA C 56.972 0.300 1 718 98 83 PHE CB C 36.617 0.300 1 719 98 83 PHE N N 126.785 0.300 1 720 99 84 PHE HA H 4.132 0.030 1 721 99 84 PHE HB2 H 2.794 0.030 2 722 99 84 PHE HB3 H 2.794 0.030 2 723 99 84 PHE C C 175.126 0.300 1 724 99 84 PHE CA C 55.739 0.300 1 725 99 84 PHE CB C 34.186 0.300 1 726 100 85 LEU H H 8.009 0.030 1 727 100 85 LEU HA H 3.951 0.030 1 728 100 85 LEU HB2 H 1.81 0.030 2 729 100 85 LEU HB3 H 1.81 0.030 2 730 100 85 LEU HD1 H 0.599 0.030 2 731 100 85 LEU HD2 H 0.566 0.030 2 732 100 85 LEU C C 175.699 0.300 1 733 100 85 LEU CA C 56.016 0.300 1 734 100 85 LEU CB C 39.32 0.300 1 735 100 85 LEU CG C 24.49 0.300 1 736 100 85 LEU CD1 C 21.514 0.300 2 737 100 85 LEU CD2 C 21.514 0.300 2 738 100 85 LEU N N 122.88 0.300 1 739 101 86 GLY H H 8.224 0.030 1 740 101 86 GLY HA2 H 4.115 0.030 2 741 101 86 GLY HA3 H 3.463 0.030 2 742 101 86 GLY C C 172.783 0.300 1 743 101 86 GLY CA C 44.725 0.300 1 744 101 86 GLY N N 105.422 0.300 1 745 102 87 GLN H H 8.475 0.030 1 746 102 87 GLN HA H 3.892 0.030 1 747 102 87 GLN HB2 H 1.935 0.030 2 748 102 87 GLN HB3 H 1.935 0.030 2 749 102 87 GLN HG2 H 2.262 0.030 2 750 102 87 GLN HG3 H 2.262 0.030 2 751 102 87 GLN C C 175.818 0.300 1 752 102 87 GLN CA C 56.587 0.300 1 753 102 87 GLN CB C 26.293 0.300 1 754 102 87 GLN CG C 30.918 0.300 1 755 102 87 GLN N N 120.301 0.300 1 756 103 88 CYS H H 8.44 0.030 1 757 103 88 CYS HA H 3.74 0.030 1 758 103 88 CYS HB2 H 2.951 0.030 2 759 103 88 CYS HB3 H 2.921 0.030 2 760 103 88 CYS C C 173.94 0.300 1 761 103 88 CYS CA C 60.754 0.300 1 762 103 88 CYS CB C 24.324 0.300 1 763 103 88 CYS N N 119.714 0.300 1 764 104 89 GLN H H 8.498 0.030 1 765 104 89 GLN HA H 3.608 0.030 1 766 104 89 GLN HB2 H 1.907 0.030 2 767 104 89 GLN HB3 H 1.907 0.030 2 768 104 89 GLN HG2 H 2.174 0.030 2 769 104 89 GLN HG3 H 2.174 0.030 2 770 104 89 GLN C C 175.513 0.300 1 771 104 89 GLN CA C 56.459 0.300 1 772 104 89 GLN CB C 24.22 0.300 1 773 104 89 GLN N N 117.484 0.300 1 774 105 90 LEU H H 8.433 0.030 1 775 105 90 LEU HA H 3.604 0.030 1 776 105 90 LEU HB2 H 1.457 0.030 2 777 105 90 LEU HB3 H 2.018 0.030 2 778 105 90 LEU HG H 1.585 0.030 1 779 105 90 LEU HD1 H 0.924 0.030 2 780 105 90 LEU HD2 H 0.871 0.030 2 781 105 90 LEU C C 177.784 0.300 1 782 105 90 LEU CA C 55.842 0.300 1 783 105 90 LEU CB C 38.89 0.300 1 784 105 90 LEU CG C 24.131 0.300 1 785 105 90 LEU CD1 C 21.48 0.300 2 786 105 90 LEU CD2 C 21.48 0.300 2 787 105 90 LEU N N 122.207 0.300 1 788 106 91 GLU H H 7.656 0.030 1 789 106 91 GLU HA H 3.815 0.030 1 790 106 91 GLU HB2 H 1.832 0.030 2 791 106 91 GLU HB3 H 1.871 0.030 2 792 106 91 GLU HG2 H 2.124 0.030 2 793 106 91 GLU HG3 H 2.176 0.030 2 794 106 91 GLU C C 175.141 0.300 1 795 106 91 GLU CA C 56.283 0.300 1 796 106 91 GLU CB C 25.873 0.300 1 797 106 91 GLU CG C 33.492 0.300 1 798 106 91 GLU N N 120.24 0.300 1 799 107 92 MET H H 7.228 0.030 1 800 107 92 MET HA H 4.049 0.030 1 801 107 92 MET HB2 H 2.275 0.030 2 802 107 92 MET HB3 H 1.918 0.030 2 803 107 92 MET HG2 H 2.379 0.030 2 804 107 92 MET HG3 H 2.379 0.030 2 805 107 92 MET C C 171.717 0.300 1 806 107 92 MET CA C 54.13 0.300 1 807 107 92 MET CB C 31.076 0.300 1 808 107 92 MET CG C 33.563 0.300 1 809 107 92 MET N N 115.627 0.300 1 810 108 93 GLU H H 7.439 0.030 1 811 108 93 GLU HA H 2.723 0.030 1 812 108 93 GLU HB2 H 2.144 0.030 2 813 108 93 GLU HB3 H 1.881 0.030 2 814 108 93 GLU HG2 H 1.836 0.030 2 815 108 93 GLU HG3 H 2.021 0.030 2 816 108 93 GLU C C 171.813 0.300 1 817 108 93 GLU CA C 54.718 0.300 1 818 108 93 GLU CB C 23.012 0.300 1 819 108 93 GLU CG C 33.901 0.300 1 820 108 93 GLU N N 112.152 0.300 1 821 109 94 SER H H 8.033 0.030 1 822 109 94 SER HA H 4.539 0.030 1 823 109 94 SER HB2 H 3.891 0.030 2 824 109 94 SER HB3 H 3.378 0.030 2 825 109 94 SER C C 173.002 0.300 1 826 109 94 SER CA C 51.853 0.300 1 827 109 94 SER CB C 58.681 0.300 1 828 109 94 SER N N 116.603 0.300 1 829 110 95 TYR H H 6.832 0.030 1 830 110 95 TYR HA H 3.8 0.030 1 831 110 95 TYR HB2 H 2.841 0.030 2 832 110 95 TYR HB3 H 2.715 0.030 2 833 110 95 TYR C C 174.381 0.300 1 834 110 95 TYR CA C 59.739 0.300 1 835 110 95 TYR CB C 35.914 0.300 1 836 110 95 TYR N N 117.566 0.300 1 837 111 96 ASP H H 8.372 0.030 1 838 111 96 ASP HA H 4.276 0.030 1 839 111 96 ASP HB2 H 2.502 0.030 2 840 111 96 ASP HB3 H 2.502 0.030 2 841 111 96 ASP C C 177.084 0.300 1 842 111 96 ASP CA C 55.678 0.300 1 843 111 96 ASP CB C 37.156 0.300 1 844 111 96 ASP N N 118.452 0.300 1 845 112 97 GLU H H 8.444 0.030 1 846 112 97 GLU HA H 3.886 0.030 1 847 112 97 GLU HB2 H 2.088 0.030 2 848 112 97 GLU HB3 H 1.851 0.030 2 849 112 97 GLU HG2 H 2.172 0.030 2 850 112 97 GLU HG3 H 2.297 0.030 2 851 112 97 GLU C C 174.94 0.300 1 852 112 97 GLU CA C 56.683 0.300 1 853 112 97 GLU CB C 27.146 0.300 1 854 112 97 GLU CG C 34.567 0.300 1 855 112 97 GLU N N 121.429 0.300 1 856 113 98 ALA H H 7.858 0.030 1 857 113 98 ALA HA H 4.268 0.030 1 858 113 98 ALA HB H 1.352 0.030 1 859 113 98 ALA C C 177.369 0.300 1 860 113 98 ALA CA C 52.745 0.300 1 861 113 98 ALA CB C 16.278 0.300 1 862 113 98 ALA N N 120.337 0.300 1 863 114 99 ILE H H 8.272 0.030 1 864 114 99 ILE HA H 3.296 0.030 1 865 114 99 ILE HB H 1.781 0.030 1 866 114 99 ILE HG2 H 0.755 0.030 1 867 114 99 ILE HD1 H 0.755 0.030 1 868 114 99 ILE C C 174.434 0.300 1 869 114 99 ILE CA C 63.199 0.300 1 870 114 99 ILE CB C 35.934 0.300 1 871 114 99 ILE CD1 C 13.989 0.300 1 872 114 99 ILE N N 116.518 0.300 1 873 115 100 ALA H H 7.471 0.030 1 874 115 100 ALA HA H 4.083 0.030 1 875 115 100 ALA HB H 1.401 0.030 1 876 115 100 ALA C C 178.898 0.300 1 877 115 100 ALA CA C 52.671 0.300 1 878 115 100 ALA CB C 15.04 0.300 1 879 115 100 ALA N N 120.938 0.300 1 880 116 101 ASN H H 8.345 0.030 1 881 116 101 ASN HA H 4.715 0.030 1 882 116 101 ASN HB2 H 2.87 0.030 2 883 116 101 ASN HB3 H 2.536 0.030 2 884 116 101 ASN C C 174.967 0.300 1 885 116 101 ASN CA C 54.932 0.300 1 886 116 101 ASN CB C 35.912 0.300 1 887 116 101 ASN N N 117.058 0.300 1 888 117 102 LEU H H 8.966 0.030 1 889 117 102 LEU HA H 4.058 0.030 1 890 117 102 LEU HB2 H 1.726 0.030 2 891 117 102 LEU HB3 H 1.598 0.030 2 892 117 102 LEU HG H 1.48 0.030 1 893 117 102 LEU C C 176.062 0.300 1 894 117 102 LEU CA C 55.434 0.300 1 895 117 102 LEU CB C 39.62 0.300 1 896 117 102 LEU N N 122.055 0.300 1 897 118 103 GLN H H 8.764 0.030 1 898 118 103 GLN HA H 3.965 0.030 1 899 118 103 GLN HB2 H 1.978 0.030 2 900 118 103 GLN HB3 H 1.978 0.030 2 901 118 103 GLN HG2 H 2.447 0.030 2 902 118 103 GLN HG3 H 2.289 0.030 2 903 118 103 GLN C C 176.409 0.300 1 904 118 103 GLN CA C 56.503 0.300 1 905 118 103 GLN CB C 25.216 0.300 1 906 118 103 GLN CG C 33.486 0.300 1 907 118 103 GLN N N 118.601 0.300 1 908 119 104 ARG H H 7.84 0.030 1 909 119 104 ARG HA H 3.967 0.030 1 910 119 104 ARG HB2 H 1.567 0.030 2 911 119 104 ARG HB3 H 1.792 0.030 2 912 119 104 ARG HG2 H 1.733 0.030 2 913 119 104 ARG HG3 H 1.733 0.030 2 914 119 104 ARG HD2 H 2.981 0.030 2 915 119 104 ARG HD3 H 2.981 0.030 2 916 119 104 ARG C C 175.116 0.300 1 917 119 104 ARG CA C 55.985 0.300 1 918 119 104 ARG CB C 26.421 0.300 1 919 119 104 ARG CG C 23.901 0.300 1 920 119 104 ARG CD C 39.273 0.300 1 921 119 104 ARG N N 121 0.300 1 922 120 105 ALA H H 8.34 0.030 1 923 120 105 ALA HA H 3.705 0.030 1 924 120 105 ALA HB H 1.503 0.030 1 925 120 105 ALA C C 175.305 0.300 1 926 120 105 ALA CA C 52.972 0.300 1 927 120 105 ALA CB C 14.772 0.300 1 928 120 105 ALA N N 120.225 0.300 1 929 121 106 TYR H H 8.085 0.030 1 930 121 106 TYR HA H 3.992 0.030 1 931 121 106 TYR HB2 H 3.148 0.030 2 932 121 106 TYR HB3 H 2.958 0.030 2 933 121 106 TYR C C 174.577 0.300 1 934 121 106 TYR CA C 57.612 0.300 1 935 121 106 TYR CB C 35.31 0.300 1 936 121 106 TYR N N 116.373 0.300 1 937 122 107 SER H H 8.334 0.030 1 938 122 107 SER HA H 4.057 0.030 1 939 122 107 SER HB2 H 3.845 0.030 2 940 122 107 SER HB3 H 3.845 0.030 2 941 122 107 SER C C 175.026 0.300 1 942 122 107 SER CA C 59.228 0.300 1 943 122 107 SER CB C 60.064 0.300 1 944 122 107 SER N N 115.053 0.300 1 945 123 108 LEU H H 8.593 0.030 1 946 123 108 LEU HA H 3.906 0.030 1 947 123 108 LEU HB2 H 1.552 0.030 2 948 123 108 LEU HB3 H 1.415 0.030 2 949 123 108 LEU HG H 1.119 0.030 1 950 123 108 LEU HD1 H 0.682 0.030 2 951 123 108 LEU HD2 H 0.682 0.030 2 952 123 108 LEU C C 175.472 0.300 1 953 123 108 LEU CA C 54.987 0.300 1 954 123 108 LEU CB C 40.15 0.300 1 955 123 108 LEU CG C 23.342 0.300 1 956 123 108 LEU N N 123.269 0.300 1 957 124 109 ALA H H 8.33 0.030 1 958 124 109 ALA HA H 3.663 0.030 1 959 124 109 ALA HB H 1.302 0.030 1 960 124 109 ALA C C 177.259 0.300 1 961 124 109 ALA CA C 53 0.300 1 962 124 109 ALA CB C 14.411 0.300 1 963 124 109 ALA N N 122.031 0.300 1 964 125 110 LYS H H 7.601 0.030 1 965 125 110 LYS HA H 3.934 0.030 1 966 125 110 LYS HB2 H 1.632 0.030 2 967 125 110 LYS HB3 H 1.632 0.030 2 968 125 110 LYS HG2 H 1.197 0.030 2 969 125 110 LYS HG3 H 1.126 0.030 2 970 125 110 LYS HD2 H 1.367 0.030 2 971 125 110 LYS HD3 H 1.367 0.030 2 972 125 110 LYS C C 177.837 0.300 1 973 125 110 LYS CA C 56.244 0.300 1 974 125 110 LYS CB C 28.978 0.300 1 975 125 110 LYS CG C 21.815 0.300 1 976 125 110 LYS N N 117.011 0.300 1 977 126 111 GLU H H 7.868 0.030 1 978 126 111 GLU HA H 3.897 0.030 1 979 126 111 GLU HB2 H 2.064 0.030 2 980 126 111 GLU HB3 H 2.175 0.030 2 981 126 111 GLU HG2 H 2.291 0.030 2 982 126 111 GLU HG3 H 2.291 0.030 2 983 126 111 GLU C C 175.922 0.300 1 984 126 111 GLU CA C 56.571 0.300 1 985 126 111 GLU CB C 26.691 0.300 1 986 126 111 GLU CG C 33.466 0.300 1 987 126 111 GLU N N 121.131 0.300 1 988 127 112 GLN H H 8.049 0.030 1 989 127 112 GLN HA H 3.995 0.030 1 990 127 112 GLN HB2 H 2.043 0.030 2 991 127 112 GLN HB3 H 2.136 0.030 2 992 127 112 GLN HG2 H 2.251 0.030 2 993 127 112 GLN HG3 H 2.496 0.030 2 994 127 112 GLN C C 172.078 0.300 1 995 127 112 GLN CA C 53.215 0.300 1 996 127 112 GLN CB C 26.508 0.300 1 997 127 112 GLN CG C 33.588 0.300 1 998 127 112 GLN N N 115.534 0.300 1 999 128 113 ARG H H 7.695 0.030 1 1000 128 113 ARG HA H 3.771 0.030 1 1001 128 113 ARG HB2 H 1.958 0.030 2 1002 128 113 ARG HB3 H 1.818 0.030 2 1003 128 113 ARG C C 174.588 0.300 1 1004 128 113 ARG N N 116.737 0.300 1 1005 129 114 LEU H H 8.055 0.030 1 1006 129 114 LEU HA H 4.313 0.030 1 1007 129 114 LEU HB2 H 1.454 0.030 2 1008 129 114 LEU HB3 H 1.378 0.030 2 1009 129 114 LEU HD1 H 0.916 0.030 2 1010 129 114 LEU HD2 H 0.793 0.030 2 1011 129 114 LEU CA C 51.252 0.300 1 1012 129 114 LEU CB C 41.238 0.300 1 1013 129 114 LEU CG C 24.02 0.300 1 1014 129 114 LEU CD1 C 22.283 0.300 2 1015 129 114 LEU CD2 C 20.801 0.300 2 1016 129 114 LEU N N 118.445 0.300 1 1017 131 116 PHE HA H 4.554 0.030 1 1018 131 116 PHE HB2 H 3.042 0.030 2 1019 131 116 PHE HB3 H 2.823 0.030 2 1020 131 116 PHE C C 173.178 0.300 1 1021 131 116 PHE CA C 54.188 0.300 1 1022 131 116 PHE CB C 36.758 0.300 1 1023 132 117 GLY H H 8.095 0.030 1 1024 132 117 GLY HA2 H 4.11 0.030 2 1025 132 117 GLY HA3 H 3.836 0.030 2 1026 132 117 GLY CA C 43.949 0.300 1 1027 132 117 GLY N N 109.72 0.300 1 1028 136 121 PRO HA H 4.335 0.030 1 1029 136 121 PRO HB2 H 2.175 0.030 2 1030 136 121 PRO HB3 H 1.803 0.030 2 1031 136 121 PRO HG2 H 1.899 0.030 2 1032 136 121 PRO HG3 H 1.899 0.030 2 1033 136 121 PRO C C 174.278 0.300 1 1034 136 121 PRO CA C 60.592 0.300 1 1035 136 121 PRO CB C 29.352 0.300 1 1036 136 121 PRO CG C 24.656 0.300 1 1037 136 121 PRO CD C 48.125 0.300 1 1038 137 122 SER H H 8.398 0.030 1 1039 137 122 SER HA H 4.326 0.030 1 1040 137 122 SER HB2 H 3.901 0.030 2 1041 137 122 SER HB3 H 3.788 0.030 2 1042 137 122 SER C C 171.761 0.300 1 1043 137 122 SER CA C 55.308 0.300 1 1044 137 122 SER CB C 61.405 0.300 1 1045 137 122 SER N N 116.495 0.300 1 1046 138 123 ALA H H 8.365 0.030 1 1047 138 123 ALA HA H 4.14 0.030 1 1048 138 123 ALA HB H 1.307 0.030 1 1049 138 123 ALA C C 176.899 0.300 1 1050 138 123 ALA CA C 50.849 0.300 1 1051 138 123 ALA CB C 15.959 0.300 1 1052 138 123 ALA N N 125.111 0.300 1 1053 139 124 LEU H H 8.19 0.030 1 1054 139 124 LEU HA H 3.834 0.030 1 1055 139 124 LEU HB2 H 1.554 0.030 2 1056 139 124 LEU HB3 H 1.507 0.030 2 1057 139 124 LEU HG H 1.423 0.030 1 1058 139 124 LEU HD1 H 0.761 0.030 2 1059 139 124 LEU HD2 H 0.761 0.030 2 1060 139 124 LEU C C 175.18 0.300 1 1061 139 124 LEU CA C 55.392 0.300 1 1062 139 124 LEU CB C 39.705 0.300 1 1063 139 124 LEU CG C 26.344 0.300 1 1064 139 124 LEU CD1 C 24.44 0.300 2 1065 139 124 LEU CD2 C 23.196 0.300 2 1066 139 124 LEU N N 118.734 0.300 1 1067 140 125 ARG H H 7.971 0.030 1 1068 140 125 ARG HA H 3.863 0.030 1 1069 140 125 ARG HB2 H 1.929 0.030 2 1070 140 125 ARG HB3 H 1.783 0.030 2 1071 140 125 ARG HG2 H 1.429 0.030 2 1072 140 125 ARG HG3 H 1.429 0.030 2 1073 140 125 ARG HD2 H 3.192 0.030 2 1074 140 125 ARG HD3 H 3.093 0.030 2 1075 140 125 ARG C C 177.217 0.300 1 1076 140 125 ARG CA C 57.36 0.300 1 1077 140 125 ARG CB C 27.576 0.300 1 1078 140 125 ARG CG C 25.336 0.300 1 1079 140 125 ARG CD C 40.821 0.300 1 1080 140 125 ARG N N 118.541 0.300 1 1081 141 126 ILE H H 7.801 0.030 1 1082 141 126 ILE HA H 3.626 0.030 1 1083 141 126 ILE HB H 1.864 0.030 1 1084 141 126 ILE HG12 H 1.664 0.030 2 1085 141 126 ILE HG13 H 1.086 0.030 2 1086 141 126 ILE HG2 H 0.856 0.030 1 1087 141 126 ILE HD1 H 0.77 0.030 1 1088 141 126 ILE C C 175.108 0.300 1 1089 141 126 ILE CA C 62.015 0.300 1 1090 141 126 ILE CB C 35.19 0.300 1 1091 141 126 ILE CG1 C 26.655 0.300 1 1092 141 126 ILE CG2 C 14.817 0.300 1 1093 141 126 ILE N N 120.505 0.300 1 1094 142 127 ALA H H 8.364 0.030 1 1095 142 127 ALA HA H 3.833 0.030 1 1096 142 127 ALA HB H 1.363 0.030 1 1097 142 127 ALA C C 176.414 0.300 1 1098 142 127 ALA CA C 52.914 0.300 1 1099 142 127 ALA CB C 16.619 0.300 1 1100 142 127 ALA N N 122.389 0.300 1 1101 143 128 LYS H H 8.174 0.030 1 1102 143 128 LYS HA H 3.756 0.030 1 1103 143 128 LYS HB2 H 1.712 0.030 2 1104 143 128 LYS HB3 H 1.865 0.030 2 1105 143 128 LYS HG2 H 1.545 0.030 2 1106 143 128 LYS HG3 H 1.269 0.030 2 1107 143 128 LYS HD2 H 1.802 0.030 2 1108 143 128 LYS HD3 H 1.611 0.030 2 1109 143 128 LYS HE2 H 2.172 0.030 2 1110 143 128 LYS HE3 H 2.131 0.030 2 1111 143 128 LYS C C 176.359 0.300 1 1112 143 128 LYS CA C 57.459 0.300 1 1113 143 128 LYS CB C 29.902 0.300 1 1114 143 128 LYS CG C 24.118 0.300 1 1115 143 128 LYS N N 115.267 0.300 1 1116 144 129 LYS H H 7.672 0.030 1 1117 144 129 LYS HA H 4.213 0.030 1 1118 144 129 LYS HB2 H 1.646 0.030 2 1119 144 129 LYS HB3 H 1.726 0.030 2 1120 144 129 LYS HG2 H 1.481 0.030 2 1121 144 129 LYS HG3 H 1.481 0.030 2 1122 144 129 LYS HE2 H 3.055 0.030 2 1123 144 129 LYS HE3 H 3.055 0.030 2 1124 144 129 LYS C C 175.85 0.300 1 1125 144 129 LYS CA C 56.218 0.300 1 1126 144 129 LYS CB C 29.304 0.300 1 1127 144 129 LYS CG C 21.838 0.300 1 1128 144 129 LYS CD C 26.243 0.300 1 1129 144 129 LYS CE C 38.961 0.300 1 1130 144 129 LYS N N 120.902 0.300 1 1131 145 130 LYS H H 8.282 0.030 1 1132 145 130 LYS HA H 3.76 0.030 1 1133 145 130 LYS HB2 H 1.475 0.030 2 1134 145 130 LYS HB3 H 1.493 0.030 2 1135 145 130 LYS HG2 H 1.301 0.030 2 1136 145 130 LYS HG3 H 1.301 0.030 2 1137 145 130 LYS HE2 H 2.878 0.030 2 1138 145 130 LYS HE3 H 2.878 0.030 2 1139 145 130 LYS C C 176.102 0.300 1 1140 145 130 LYS CA C 56.182 0.300 1 1141 145 130 LYS CB C 29.072 0.300 1 1142 145 130 LYS CG C 23.223 0.300 1 1143 145 130 LYS CD C 32.242 0.300 1 1144 145 130 LYS CE C 39.544 0.300 1 1145 145 130 LYS N N 118.753 0.300 1 1146 146 131 ARG H H 7.723 0.030 1 1147 146 131 ARG C C 175.054 0.300 1 1148 146 131 ARG CA C 55.79 0.300 1 1149 146 131 ARG CB C 27.328 0.300 1 1150 146 131 ARG N N 119.178 0.300 1 1151 147 132 TRP H H 7.867 0.030 1 1152 147 132 TRP HA H 4.338 0.030 1 1153 147 132 TRP HB2 H 3.292 0.030 2 1154 147 132 TRP HB3 H 3.202 0.030 2 1155 147 132 TRP C C 174.645 0.300 1 1156 147 132 TRP CA C 56.719 0.300 1 1157 147 132 TRP CB C 26.27 0.300 1 1158 147 132 TRP N N 120.12 0.300 1 1159 148 133 ASN H H 8.233 0.030 1 1160 148 133 ASN HA H 4.35 0.030 1 1161 148 133 ASN HB2 H 2.713 0.030 2 1162 148 133 ASN HB3 H 2.713 0.030 2 1163 148 133 ASN C C 173.418 0.300 1 1164 148 133 ASN CA C 52.282 0.300 1 1165 148 133 ASN CB C 35.899 0.300 1 1166 148 133 ASN N N 117.373 0.300 1 1167 149 134 SER H H 7.739 0.030 1 1168 149 134 SER HA H 4.248 0.030 1 1169 149 134 SER HB2 H 3.859 0.030 2 1170 149 134 SER HB3 H 3.832 0.030 2 1171 149 134 SER C C 172.584 0.300 1 1172 149 134 SER CA C 57.202 0.300 1 1173 149 134 SER CB C 60.844 0.300 1 1174 149 134 SER N N 114.474 0.300 1 1175 150 135 ILE H H 7.611 0.030 1 1176 150 135 ILE HA H 3.905 0.030 1 1177 150 135 ILE HB H 1.724 0.030 1 1178 150 135 ILE HG12 H 1.407 0.030 2 1179 150 135 ILE HG13 H 1.041 0.030 2 1180 150 135 ILE HG2 H 0.724 0.030 1 1181 150 135 ILE C C 174.515 0.300 1 1182 150 135 ILE CA C 59.895 0.300 1 1183 150 135 ILE CB C 35.699 0.300 1 1184 150 135 ILE CG1 C 25.063 0.300 1 1185 150 135 ILE CG2 C 14.584 0.300 1 1186 150 135 ILE CD1 C 10.394 0.300 1 1187 150 135 ILE N N 121.309 0.300 1 1188 151 136 GLU H H 7.969 0.030 1 1189 151 136 GLU HA H 3.953 0.030 1 1190 151 136 GLU HB2 H 1.774 0.030 2 1191 151 136 GLU HB3 H 1.628 0.030 2 1192 151 136 GLU HG2 H 1.91 0.030 2 1193 151 136 GLU HG3 H 1.91 0.030 2 1194 151 136 GLU C C 174.357 0.300 1 1195 151 136 GLU CA C 54.61 0.300 1 1196 151 136 GLU CB C 27.221 0.300 1 1197 151 136 GLU CG C 33.244 0.300 1 1198 151 136 GLU N N 121.9 0.300 1 1199 152 137 GLU H H 7.977 0.030 1 1200 152 137 GLU HA H 4.086 0.030 1 1201 152 137 GLU HB2 H 1.865 0.030 2 1202 152 137 GLU HB3 H 1.925 0.030 2 1203 152 137 GLU HG2 H 2.113 0.030 2 1204 152 137 GLU HG3 H 2.183 0.030 2 1205 152 137 GLU C C 173.631 0.300 1 1206 152 137 GLU CA C 54.162 0.300 1 1207 152 137 GLU CB C 27.036 0.300 1 1208 152 137 GLU CG C 33.662 0.300 1 1209 152 137 GLU N N 119.978 0.300 1 1210 153 138 ARG H H 7.883 0.030 1 1211 153 138 ARG HA H 4.226 0.030 1 1212 153 138 ARG HB2 H 1.763 0.030 2 1213 153 138 ARG HB3 H 1.677 0.030 2 1214 153 138 ARG HG2 H 1.634 0.030 2 1215 153 138 ARG HG3 H 1.554 0.030 2 1216 153 138 ARG HD2 H 3.057 0.030 2 1217 153 138 ARG HD3 H 2.88 0.030 2 1218 153 138 ARG C C 172.647 0.300 1 1219 153 138 ARG CA C 53.305 0.300 1 1220 153 138 ARG CB C 30.266 0.300 1 1221 153 138 ARG CG C 27.779 0.300 1 1222 153 138 ARG CD C 40.643 0.300 1 1223 153 138 ARG N N 121.555 0.300 1 1224 154 139 ARG H H 7.768 0.030 1 1225 154 139 ARG C C 178.397 0.300 1 1226 154 139 ARG CA C 54.966 0.300 1 1227 154 139 ARG CB C 28.68 0.300 1 1228 154 139 ARG N N 127.611 0.300 1 stop_ save_