data_19689 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of a phytocystatin from Sesamum indicum L. ; _BMRB_accession_number 19689 _BMRB_flat_file_name bmr19689.str _Entry_type original _Submission_date 2013-12-18 _Accession_date 2013-12-18 _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 Deli Irene . . 2 Hu Yu-Jyun . . 3 Chyan Chia-Lin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1123 "13C chemical shifts" 799 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-11 original author . stop_ _Original_release_date 2014-04-11 save_ ############################# # Citation for this entry # ############################# save_Sesame_Cystatin _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments and secondary structure of calmodulin in complex with its target sequence in rat olfactory cyclic nucleotide-gated ion channel.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23315338 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Irene Deli . . 2 Sung Fu-Hsing . . 3 Huang Jian-Wen . . 4 Lin Ta-Hsien . . 5 Chen Yi-Chen . . 6 Chyan Chia-Lin . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 97 _Page_last 102 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SiCYS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SiCYS $SiCYS 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_SiCYS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SiCYS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; MATLGGVHDSNSNPDTHSLA RFAVDQHNTKENGLLELVRV VEAREQVVAGTLHHLVLEVL DAGKKKLYEAKIWVKPWMDF KQLQEFKHVRDVPSFTSSDL GAKTDDQVSGWRPVPVHDPV VQDAAHHAIKTIQERSNSLF PYELSEVVHANAEVVDTSAK FDMLLKVKRGGKEEKYKVEV HKSTEEGGFNLKKVDLDHS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 LEU 5 GLY 6 GLY 7 VAL 8 HIS 9 ASP 10 SER 11 ASN 12 SER 13 ASN 14 PRO 15 ASP 16 THR 17 HIS 18 SER 19 LEU 20 ALA 21 ARG 22 PHE 23 ALA 24 VAL 25 ASP 26 GLN 27 HIS 28 ASN 29 THR 30 LYS 31 GLU 32 ASN 33 GLY 34 LEU 35 LEU 36 GLU 37 LEU 38 VAL 39 ARG 40 VAL 41 VAL 42 GLU 43 ALA 44 ARG 45 GLU 46 GLN 47 VAL 48 VAL 49 ALA 50 GLY 51 THR 52 LEU 53 HIS 54 HIS 55 LEU 56 VAL 57 LEU 58 GLU 59 VAL 60 LEU 61 ASP 62 ALA 63 GLY 64 LYS 65 LYS 66 LYS 67 LEU 68 TYR 69 GLU 70 ALA 71 LYS 72 ILE 73 TRP 74 VAL 75 LYS 76 PRO 77 TRP 78 MET 79 ASP 80 PHE 81 LYS 82 GLN 83 LEU 84 GLN 85 GLU 86 PHE 87 LYS 88 HIS 89 VAL 90 ARG 91 ASP 92 VAL 93 PRO 94 SER 95 PHE 96 THR 97 SER 98 SER 99 ASP 100 LEU 101 GLY 102 ALA 103 LYS 104 THR 105 ASP 106 ASP 107 GLN 108 VAL 109 SER 110 GLY 111 TRP 112 ARG 113 PRO 114 VAL 115 PRO 116 VAL 117 HIS 118 ASP 119 PRO 120 VAL 121 VAL 122 GLN 123 ASP 124 ALA 125 ALA 126 HIS 127 HIS 128 ALA 129 ILE 130 LYS 131 THR 132 ILE 133 GLN 134 GLU 135 ARG 136 SER 137 ASN 138 SER 139 LEU 140 PHE 141 PRO 142 TYR 143 GLU 144 LEU 145 SER 146 GLU 147 VAL 148 VAL 149 HIS 150 ALA 151 ASN 152 ALA 153 GLU 154 VAL 155 VAL 156 ASP 157 THR 158 SER 159 ALA 160 LYS 161 PHE 162 ASP 163 MET 164 LEU 165 LEU 166 LYS 167 VAL 168 LYS 169 ARG 170 GLY 171 GLY 172 LYS 173 GLU 174 GLU 175 LYS 176 TYR 177 LYS 178 VAL 179 GLU 180 VAL 181 HIS 182 LYS 183 SER 184 THR 185 GLU 186 GLU 187 GLY 188 GLY 189 PHE 190 ASN 191 LEU 192 LYS 193 LYS 194 VAL 195 ASP 196 LEU 197 ASP 198 HIS 199 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-04-22 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 GB AAK15090 "cystatin [Sesamum indicum]" 100.00 199 100.00 100.00 9.47e-142 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SiCYS 'E. coli' 562 Bacteria . Escherichia coli 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 $SiCYS 'recombinant technology' . Escherichia coli . pET32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SiCYS_Full _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SiCYS 80 uM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Saveframe_category software _Name AURELIA _Version . loop_ _Vendor _Address _Electronic_address 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $SiCYS_Full save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $SiCYS_Full save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $SiCYS_Full save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $SiCYS_Full save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $SiCYS_Full save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $SiCYS_Full save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $SiCYS_Full save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $SiCYS_Full save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $SiCYS_Full stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SiCYS _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 175.703 0.000 1 2 1 1 MET CA C 55.409 0.000 1 3 1 1 MET CB C 32.850 0.000 1 4 2 2 ALA H H 7.832 0.000 1 5 2 2 ALA HA H 5.285 0.000 1 6 2 2 ALA HB H 1.566 0.000 1 7 2 2 ALA C C 177.595 0.000 1 8 2 2 ALA CA C 52.285 0.000 1 9 2 2 ALA CB C 19.023 0.000 1 10 2 2 ALA N N 126.130 0.000 1 11 3 3 THR H H 8.119 0.000 1 12 3 3 THR HA H 4.396 0.000 1 13 3 3 THR HB H 4.170 0.000 1 14 3 3 THR HG2 H 1.229 0.000 1 15 3 3 THR CA C 61.359 0.000 1 16 3 3 THR CB C 69.605 0.000 1 17 3 3 THR CG2 C 21.434 0.000 1 18 3 3 THR N N 113.755 0.000 1 19 4 4 LEU H H 8.301 0.000 1 20 4 4 LEU HA H 4.425 0.000 1 21 4 4 LEU HB2 H 1.649 0.000 2 22 4 4 LEU HB3 H 1.649 0.000 2 23 4 4 LEU HG H 1.678 0.000 1 24 4 4 LEU HD1 H 0.940 0.000 2 25 4 4 LEU HD2 H 0.887 0.000 2 26 4 4 LEU C C 177.633 0.000 1 27 4 4 LEU CA C 55.067 0.000 1 28 4 4 LEU CB C 42.046 0.000 1 29 4 4 LEU CG C 27.147 0.000 1 30 4 4 LEU CD1 C 24.393 0.000 1 31 4 4 LEU CD2 C 23.427 0.000 1 32 4 4 LEU N N 124.724 0.000 1 33 5 5 GLY H H 8.453 0.000 1 34 5 5 GLY HA2 H 3.971 0.000 2 35 5 5 GLY HA3 H 3.971 0.000 2 36 5 5 GLY C C 174.461 0.000 1 37 5 5 GLY CA C 45.018 0.000 1 38 5 5 GLY N N 109.858 0.000 1 39 6 6 GLY H H 8.247 0.000 1 40 6 6 GLY HA2 H 3.941 0.000 2 41 6 6 GLY HA3 H 3.941 0.000 2 42 6 6 GLY C C 174.126 0.000 1 43 6 6 GLY CA C 45.018 0.000 1 44 6 6 GLY N N 108.702 0.000 1 45 7 7 VAL H H 7.966 0.000 1 46 7 7 VAL HA H 4.107 0.000 1 47 7 7 VAL HB H 2.040 0.000 1 48 7 7 VAL HG1 H 0.900 0.000 2 49 7 7 VAL HG2 H 0.880 0.000 2 50 7 7 VAL C C 177.320 0.000 1 51 7 7 VAL CA C 62.273 0.000 1 52 7 7 VAL CB C 32.479 0.000 1 53 7 7 VAL CG1 C 20.545 0.000 1 54 7 7 VAL CG2 C 20.545 0.000 1 55 7 7 VAL N N 118.953 0.000 1 56 8 8 HIS H H 8.463 0.000 1 57 8 8 HIS HA H 4.479 0.000 1 58 8 8 HIS HB2 H 3.248 0.000 2 59 8 8 HIS HB3 H 3.076 0.000 2 60 8 8 HIS C C 174.446 0.000 1 61 8 8 HIS CA C 55.390 0.000 1 62 8 8 HIS CB C 29.937 0.000 1 63 8 8 HIS N N 122.367 0.000 1 64 9 9 ASP H H 8.276 0.000 1 65 9 9 ASP HA H 4.670 0.000 1 66 9 9 ASP HB2 H 2.734 0.000 2 67 9 9 ASP HB3 H 2.734 0.000 2 68 9 9 ASP C C 176.418 0.000 1 69 9 9 ASP CA C 53.926 0.000 1 70 9 9 ASP CB C 40.978 0.000 1 71 9 9 ASP N N 122.130 0.000 1 72 10 10 SER H H 8.412 0.000 1 73 10 10 SER HA H 4.415 0.000 1 74 10 10 SER HB2 H 3.927 0.000 2 75 10 10 SER HB3 H 3.927 0.000 2 76 10 10 SER C C 174.743 0.000 1 77 10 10 SER CA C 58.836 0.000 1 78 10 10 SER CB C 63.481 0.000 1 79 10 10 SER N N 116.974 0.000 1 80 11 11 ASN H H 8.472 0.000 1 81 11 11 ASN HA H 4.740 0.000 1 82 11 11 ASN HB2 H 2.842 0.000 2 83 11 11 ASN HB3 H 2.842 0.000 2 84 11 11 ASN HD21 H 7.646 0.000 2 85 11 11 ASN HD22 H 6.901 0.000 2 86 11 11 ASN C C 175.172 0.000 1 87 11 11 ASN CA C 53.663 0.000 1 88 11 11 ASN CB C 38.953 0.000 1 89 11 11 ASN N N 120.100 0.000 1 90 11 11 ASN ND2 N 113.296 0.000 1 91 12 12 SER H H 8.095 0.000 1 92 12 12 SER HA H 4.445 0.000 1 93 12 12 SER HB2 H 3.878 0.000 2 94 12 12 SER HB3 H 3.878 0.000 2 95 12 12 SER C C 173.746 0.000 1 96 12 12 SER CA C 58.230 0.000 1 97 12 12 SER CB C 63.591 0.000 1 98 12 12 SER N N 115.109 0.000 1 99 13 13 ASN H H 8.283 0.000 1 100 13 13 ASN HA H 4.982 0.000 1 101 13 13 ASN HB2 H 2.949 0.000 2 102 13 13 ASN HB3 H 2.788 0.000 2 103 13 13 ASN HD21 H 7.693 0.000 2 104 13 13 ASN HD22 H 7.018 0.000 2 105 13 13 ASN CA C 51.346 0.000 1 106 13 13 ASN CB C 38.778 0.000 1 107 13 13 ASN N N 121.516 0.000 1 108 13 13 ASN ND2 N 113.421 0.000 1 109 14 14 PRO HA H 4.420 0.000 1 110 14 14 PRO HB2 H 2.280 0.000 2 111 14 14 PRO HB3 H 1.873 0.000 2 112 14 14 PRO HG2 H 2.001 0.000 2 113 14 14 PRO HG3 H 2.001 0.000 2 114 14 14 PRO HD2 H 3.824 0.000 2 115 14 14 PRO HD3 H 3.780 0.000 2 116 14 14 PRO C C 177.250 0.000 1 117 14 14 PRO CA C 63.591 0.000 1 118 14 14 PRO CB C 31.835 0.000 1 119 14 14 PRO CG C 27.206 0.000 1 120 14 14 PRO CD C 50.555 0.000 1 121 15 15 ASP H H 8.318 0.000 1 122 15 15 ASP HA H 4.870 0.000 1 123 15 15 ASP HB2 H 2.786 0.000 2 124 15 15 ASP HB3 H 2.634 0.000 2 125 15 15 ASP C C 177.560 0.000 1 126 15 15 ASP CA C 54.685 0.000 1 127 15 15 ASP CB C 40.470 0.000 1 128 15 15 ASP N N 119.797 0.000 1 129 16 16 THR H H 8.136 0.000 1 130 16 16 THR HA H 3.770 0.000 1 131 16 16 THR HB H 4.151 0.000 1 132 16 16 THR HG2 H 1.263 0.000 1 133 16 16 THR C C 176.048 0.000 1 134 16 16 THR CA C 65.906 0.000 1 135 16 16 THR CB C 68.601 0.000 1 136 16 16 THR CG2 C 23.163 0.000 1 137 16 16 THR N N 115.765 0.000 1 138 17 17 HIS H H 8.261 0.000 1 139 17 17 HIS HA H 4.049 0.000 1 140 17 17 HIS HB2 H 3.219 0.000 2 141 17 17 HIS HB3 H 3.219 0.000 2 142 17 17 HIS C C 177.405 0.000 1 143 17 17 HIS CA C 60.779 0.000 1 144 17 17 HIS CB C 29.685 0.000 1 145 17 17 HIS N N 121.672 0.000 1 146 18 18 SER H H 8.089 0.000 1 147 18 18 SER HA H 4.161 0.000 1 148 18 18 SER HB2 H 3.995 0.000 2 149 18 18 SER HB3 H 3.946 0.000 2 150 18 18 SER C C 178.040 0.000 1 151 18 18 SER CA C 61.599 0.000 1 152 18 18 SER CB C 62.302 0.000 1 153 18 18 SER N N 114.296 0.000 1 154 19 19 LEU H H 7.813 0.000 1 155 19 19 LEU HA H 4.020 0.000 1 156 19 19 LEU HB2 H 1.869 0.000 2 157 19 19 LEU HB3 H 1.185 0.000 2 158 19 19 LEU HG H 1.630 0.000 1 159 19 19 LEU HD1 H 0.466 0.000 2 160 19 19 LEU HD2 H 0.432 0.000 2 161 19 19 LEU C C 177.789 0.000 1 162 19 19 LEU CA C 57.498 0.000 1 163 19 19 LEU CB C 41.854 0.000 1 164 19 19 LEU CG C 24.100 0.000 1 165 19 19 LEU CD1 C 22.606 0.000 1 166 19 19 LEU CD2 C 22.694 0.000 1 167 19 19 LEU N N 123.610 0.000 1 168 20 20 ALA H H 8.101 0.000 1 169 20 20 ALA HA H 3.809 0.000 1 170 20 20 ALA HB H 1.385 0.000 1 171 20 20 ALA C C 178.486 0.000 1 172 20 20 ALA CA C 54.978 0.000 1 173 20 20 ALA CB C 20.292 0.000 1 174 20 20 ALA N N 122.139 0.000 1 175 21 21 ARG H H 8.165 0.000 1 176 21 21 ARG HA H 3.756 0.000 1 177 21 21 ARG HB2 H 1.933 0.000 2 178 21 21 ARG HB3 H 1.786 0.000 2 179 21 21 ARG HG2 H 1.678 0.000 2 180 21 21 ARG HG3 H 1.567 0.000 2 181 21 21 ARG HD2 H 3.228 0.000 2 182 21 21 ARG HD3 H 3.228 0.000 2 183 21 21 ARG C C 177.909 0.000 1 184 21 21 ARG CA C 59.138 0.000 1 185 21 21 ARG CB C 29.813 0.000 1 186 21 21 ARG CG C 27.147 0.000 1 187 21 21 ARG CD C 43.172 0.000 1 188 21 21 ARG N N 117.609 0.000 1 189 22 22 PHE H H 7.802 0.000 1 190 22 22 PHE HA H 4.376 0.000 1 191 22 22 PHE HB2 H 3.296 0.000 2 192 22 22 PHE HB3 H 3.296 0.000 2 193 22 22 PHE HD1 H 7.086 0.000 1 194 22 22 PHE HD2 H 7.086 0.000 1 195 22 22 PHE HE1 H 7.190 0.000 1 196 22 22 PHE HE2 H 7.190 0.000 1 197 22 22 PHE C C 176.235 0.000 1 198 22 22 PHE CA C 60.457 0.000 1 199 22 22 PHE CB C 38.016 0.000 1 200 22 22 PHE N N 119.515 0.000 1 201 23 23 ALA H H 8.175 0.000 1 202 23 23 ALA HA H 3.565 0.000 1 203 23 23 ALA HB H 1.522 0.000 1 204 23 23 ALA C C 177.586 0.000 1 205 23 23 ALA CA C 55.037 0.000 1 206 23 23 ALA CB C 18.212 0.000 1 207 23 23 ALA N N 121.172 0.000 1 208 24 24 VAL H H 7.819 0.000 1 209 24 24 VAL HA H 2.993 0.000 1 210 24 24 VAL HB H 2.022 0.000 1 211 24 24 VAL HG1 H 0.940 0.000 2 212 24 24 VAL HG2 H 0.769 0.000 2 213 24 24 VAL C C 176.822 0.000 1 214 24 24 VAL CA C 66.638 0.000 1 215 24 24 VAL CB C 31.329 0.000 1 216 24 24 VAL CG1 C 24.393 0.000 1 217 24 24 VAL CG2 C 22.225 0.000 1 218 24 24 VAL N N 115.890 0.000 1 219 25 25 ASP H H 8.406 0.000 1 220 25 25 ASP HA H 4.332 0.000 1 221 25 25 ASP HB2 H 2.763 0.000 2 222 25 25 ASP HB3 H 2.558 0.000 2 223 25 25 ASP C C 179.646 0.000 1 224 25 25 ASP CA C 57.410 0.000 1 225 25 25 ASP CB C 40.272 0.000 1 226 25 25 ASP N N 119.640 0.000 1 227 26 26 GLN H H 8.294 0.000 1 228 26 26 GLN HA H 3.712 0.000 1 229 26 26 GLN HB2 H 1.720 0.000 2 230 26 26 GLN HB3 H 1.680 0.000 2 231 26 26 GLN HG2 H 1.718 0.000 2 232 26 26 GLN HG3 H 1.327 0.000 2 233 26 26 GLN HE21 H 6.942 0.000 2 234 26 26 GLN HE22 H 7.253 0.000 2 235 26 26 GLN C C 178.428 0.000 1 236 26 26 GLN CA C 58.142 0.000 1 237 26 26 GLN CB C 27.528 0.000 1 238 26 26 GLN CG C 34.032 0.000 1 239 26 26 GLN N N 119.515 0.000 1 240 26 26 GLN NE2 N 115.265 0.000 1 241 27 27 HIS H H 7.872 0.000 1 242 27 27 HIS HA H 3.800 0.000 1 243 27 27 HIS HB2 H 2.795 0.000 2 244 27 27 HIS HB3 H 2.363 0.000 2 245 27 27 HIS C C 176.866 0.000 1 246 27 27 HIS CA C 60.164 0.000 1 247 27 27 HIS CB C 28.300 0.000 1 248 27 27 HIS N N 120.359 0.000 1 249 28 28 ASN H H 8.670 0.000 1 250 28 28 ASN HA H 3.980 0.000 1 251 28 28 ASN HB2 H 2.888 0.000 2 252 28 28 ASN HB3 H 2.749 0.000 2 253 28 28 ASN HD21 H 7.564 0.000 2 254 28 28 ASN HD22 H 6.825 0.000 2 255 28 28 ASN C C 179.075 0.000 1 256 28 28 ASN CA C 55.418 0.000 1 257 28 28 ASN CB C 36.873 0.000 1 258 28 28 ASN N N 117.046 0.000 1 259 28 28 ASN ND2 N 111.264 0.000 1 260 29 29 THR H H 8.013 0.000 1 261 29 29 THR HA H 4.024 0.000 1 262 29 29 THR HB H 4.103 0.000 1 263 29 29 THR HG2 H 1.230 0.000 1 264 29 29 THR C C 173.470 0.000 1 265 29 29 THR CA C 65.584 0.000 1 266 29 29 THR CB C 70.037 0.000 1 267 29 29 THR CG2 C 21.250 0.000 1 268 29 29 THR N N 114.327 0.000 1 269 30 30 LYS H H 7.790 0.000 1 270 30 30 LYS HA H 4.083 0.000 1 271 30 30 LYS HB2 H 1.835 0.000 2 272 30 30 LYS HB3 H 1.835 0.000 2 273 30 30 LYS HG2 H 1.515 0.000 2 274 30 30 LYS HG3 H 1.420 0.000 2 275 30 30 LYS HD2 H 1.667 0.000 2 276 30 30 LYS HD3 H 1.667 0.000 2 277 30 30 LYS HE2 H 3.000 0.000 2 278 30 30 LYS HE3 H 3.000 0.000 2 279 30 30 LYS C C 177.953 0.000 1 280 30 30 LYS CA C 58.611 0.000 1 281 30 30 LYS CB C 32.831 0.000 1 282 30 30 LYS CG C 24.686 0.000 1 283 30 30 LYS CD C 28.641 0.000 1 284 30 30 LYS CE C 41.850 0.000 1 285 30 30 LYS N N 121.266 0.000 1 286 31 31 GLU H H 7.937 0.000 1 287 31 31 GLU HA H 4.454 0.000 1 288 31 31 GLU HB2 H 2.113 0.000 2 289 31 31 GLU HB3 H 2.113 0.000 2 290 31 31 GLU HG2 H 2.006 0.000 2 291 31 31 GLU HG3 H 2.006 0.000 2 292 31 31 GLU C C 176.315 0.000 1 293 31 31 GLU CA C 54.510 0.000 1 294 31 31 GLU CB C 28.583 0.000 1 295 31 31 GLU CG C 35.497 0.000 1 296 31 31 GLU N N 113.765 0.000 1 297 32 32 ASN H H 7.596 0.000 1 298 32 32 ASN HA H 4.454 0.000 1 299 32 32 ASN HB2 H 3.047 0.000 2 300 32 32 ASN HB3 H 2.763 0.000 2 301 32 32 ASN HD21 H 7.499 0.000 2 302 32 32 ASN HD22 H 6.760 0.000 2 303 32 32 ASN C C 175.262 0.000 1 304 32 32 ASN CA C 54.510 0.000 1 305 32 32 ASN CB C 36.844 0.000 1 306 32 32 ASN N N 118.672 0.000 1 307 32 32 ASN ND2 N 112.514 0.000 1 308 33 33 GLY H H 8.494 0.000 1 309 33 33 GLY HA2 H 4.298 0.000 2 310 33 33 GLY HA3 H 3.760 0.000 2 311 33 33 GLY C C 173.480 0.000 1 312 33 33 GLY CA C 44.168 0.000 1 313 33 33 GLY N N 104.732 0.000 1 314 34 34 LEU H H 8.459 0.000 1 315 34 34 LEU HA H 4.533 0.000 1 316 34 34 LEU HB2 H 1.815 0.000 2 317 34 34 LEU HB3 H 1.488 0.000 2 318 34 34 LEU HG H 1.493 0.000 1 319 34 34 LEU HD1 H 0.911 0.000 2 320 34 34 LEU HD2 H 0.848 0.000 2 321 34 34 LEU C C 177.512 0.000 1 322 34 34 LEU CA C 53.309 0.000 1 323 34 34 LEU CB C 42.615 0.000 1 324 34 34 LEU CG C 26.532 0.000 1 325 34 34 LEU CD1 C 25.389 0.000 1 326 34 34 LEU CD2 C 23.427 0.000 1 327 34 34 LEU N N 120.328 0.000 1 328 35 35 LEU H H 8.611 0.000 1 329 35 35 LEU HA H 4.694 0.000 1 330 35 35 LEU HB2 H 1.908 0.000 2 331 35 35 LEU HB3 H 0.950 0.000 2 332 35 35 LEU HG H 1.792 0.000 1 333 35 35 LEU HD1 H 0.734 0.000 2 334 35 35 LEU HD2 H 0.413 0.000 2 335 35 35 LEU C C 177.883 0.000 1 336 35 35 LEU CA C 55.828 0.000 1 337 35 35 LEU CB C 42.908 0.000 1 338 35 35 LEU CG C 26.800 0.000 1 339 35 35 LEU CD1 C 22.284 0.000 1 340 35 35 LEU CD2 C 25.946 0.000 1 341 35 35 LEU N N 121.141 0.000 1 342 36 36 GLU H H 8.453 0.000 1 343 36 36 GLU HA H 4.670 0.000 1 344 36 36 GLU HB2 H 2.155 0.000 2 345 36 36 GLU HB3 H 2.009 0.000 2 346 36 36 GLU HG2 H 2.310 0.000 2 347 36 36 GLU HG3 H 2.310 0.000 2 348 36 36 GLU C C 175.932 0.000 1 349 36 36 GLU CA C 54.070 0.000 1 350 36 36 GLU CB C 32.450 0.000 1 351 36 36 GLU CG C 35.877 0.000 1 352 36 36 GLU N N 119.765 0.000 1 353 37 37 LEU H H 9.156 0.000 1 354 37 37 LEU HA H 4.161 0.000 1 355 37 37 LEU HB2 H 1.980 0.000 2 356 37 37 LEU HB3 H 1.980 0.000 2 357 37 37 LEU HG H 1.320 0.000 1 358 37 37 LEU HD1 H 0.611 0.000 2 359 37 37 LEU HD2 H 0.835 0.000 2 360 37 37 LEU C C 175.781 0.000 1 361 37 37 LEU CA C 56.267 0.000 1 362 37 37 LEU CB C 42.420 0.000 1 363 37 37 LEU CG C 26.942 0.000 1 364 37 37 LEU CD1 C 26.913 0.000 1 365 37 37 LEU CD2 C 23.800 0.000 1 366 37 37 LEU N N 126.141 0.000 1 367 38 38 VAL H H 9.151 0.000 1 368 38 38 VAL HA H 4.215 0.000 1 369 38 38 VAL HB H 1.933 0.000 1 370 38 38 VAL HG1 H 0.945 0.000 2 371 38 38 VAL HG2 H 0.945 0.000 2 372 38 38 VAL C C 176.117 0.000 1 373 38 38 VAL CA C 64.500 0.000 1 374 38 38 VAL CB C 32.508 0.000 1 375 38 38 VAL CG1 C 21.054 0.000 1 376 38 38 VAL CG2 C 21.054 0.000 1 377 38 38 VAL N N 127.079 0.000 1 378 39 39 ARG H H 7.866 0.000 1 379 39 39 ARG HA H 4.780 0.000 1 380 39 39 ARG HB2 H 2.134 0.000 2 381 39 39 ARG HB3 H 2.104 0.000 2 382 39 39 ARG HG2 H 1.807 0.000 2 383 39 39 ARG HG3 H 1.807 0.000 2 384 39 39 ARG HD2 H 3.047 0.000 2 385 39 39 ARG HD3 H 3.047 0.000 2 386 39 39 ARG C C 173.574 0.000 1 387 39 39 ARG CA C 55.155 0.000 1 388 39 39 ARG CB C 31.791 0.000 1 389 39 39 ARG CD C 43.330 0.000 1 390 39 39 ARG N N 111.171 0.000 1 391 40 40 VAL H H 9.098 0.000 1 392 40 40 VAL HA H 4.142 0.000 1 393 40 40 VAL HB H 2.092 0.000 1 394 40 40 VAL HG1 H 0.843 0.000 2 395 40 40 VAL HG2 H 0.843 0.000 2 396 40 40 VAL C C 175.464 0.000 1 397 40 40 VAL CA C 63.006 0.000 1 398 40 40 VAL CB C 31.418 0.000 1 399 40 40 VAL CG1 C 22.079 0.000 1 400 40 40 VAL CG2 C 22.079 0.000 1 401 40 40 VAL N N 122.641 0.000 1 402 41 41 VAL H H 9.147 0.000 1 403 41 41 VAL HA H 3.892 0.000 1 404 41 41 VAL HB H 1.930 0.000 1 405 41 41 VAL HG1 H 0.913 0.000 2 406 41 41 VAL HG2 H 0.818 0.000 2 407 41 41 VAL C C 175.885 0.000 1 408 41 41 VAL CA C 64.793 0.000 1 409 41 41 VAL CB C 32.567 0.000 1 410 41 41 VAL CG1 C 21.259 0.000 1 411 41 41 VAL CG2 C 21.259 0.000 1 412 41 41 VAL N N 128.443 0.000 1 413 42 42 GLU H H 7.673 0.000 1 414 42 42 GLU HA H 4.616 0.000 1 415 42 42 GLU HB2 H 1.908 0.000 2 416 42 42 GLU HB3 H 1.908 0.000 2 417 42 42 GLU HG2 H 2.167 0.000 2 418 42 42 GLU HG3 H 2.167 0.000 2 419 42 42 GLU C C 173.339 0.000 1 420 42 42 GLU CA C 55.564 0.000 1 421 42 42 GLU CB C 33.915 0.000 1 422 42 42 GLU CG C 36.288 0.000 1 423 42 42 GLU N N 116.796 0.000 1 424 43 43 ALA H H 8.628 0.000 1 425 43 43 ALA HA H 5.329 0.000 1 426 43 43 ALA HB H 1.424 0.000 1 427 43 43 ALA C C 175.612 0.000 1 428 43 43 ALA CA C 51.756 0.000 1 429 43 43 ALA CB C 22.694 0.000 1 430 43 43 ALA N N 125.172 0.000 1 431 44 44 ARG H H 8.928 0.000 1 432 44 44 ARG HA H 4.862 0.000 1 433 44 44 ARG HB2 H 1.997 0.000 2 434 44 44 ARG HB3 H 1.857 0.000 2 435 44 44 ARG HG2 H 1.693 0.000 2 436 44 44 ARG HG3 H 1.600 0.000 2 437 44 44 ARG HD2 H 3.117 0.000 2 438 44 44 ARG HD3 H 3.179 0.000 2 439 44 44 ARG C C 174.899 0.000 1 440 44 44 ARG CA C 54.830 0.000 1 441 44 44 ARG CB C 33.805 0.000 1 442 44 44 ARG CG C 27.360 0.000 1 443 44 44 ARG CD C 43.233 0.000 1 444 44 44 ARG N N 120.953 0.000 1 445 45 45 GLU H H 9.597 0.000 1 446 45 45 GLU HA H 5.173 0.000 1 447 45 45 GLU HB2 H 1.810 0.000 2 448 45 45 GLU HB3 H 1.810 0.000 2 449 45 45 GLU HG2 H 1.990 0.000 2 450 45 45 GLU HG3 H 1.884 0.000 2 451 45 45 GLU C C 175.109 0.000 1 452 45 45 GLU CA C 54.949 0.000 1 453 45 45 GLU CB C 32.840 0.000 1 454 45 45 GLU CG C 35.438 0.000 1 455 45 45 GLU N N 130.366 0.000 1 456 46 46 GLN H H 8.728 0.000 1 457 46 46 GLN HA H 4.700 0.000 1 458 46 46 GLN HB2 H 2.117 0.000 2 459 46 46 GLN HB3 H 2.018 0.000 2 460 46 46 GLN HG2 H 2.289 0.000 2 461 46 46 GLN HG3 H 2.289 0.000 2 462 46 46 GLN C C 174.132 0.000 1 463 46 46 GLN CA C 54.026 0.000 1 464 46 46 GLN CB C 32.479 0.000 1 465 46 46 GLN CG C 35.877 0.000 1 466 46 46 GLN N N 122.047 0.000 1 467 47 47 VAL H H 8.863 0.000 1 468 47 47 VAL HA H 4.321 0.000 1 469 47 47 VAL HB H 2.123 0.000 1 470 47 47 VAL HG1 H 1.097 0.000 2 471 47 47 VAL HG2 H 1.097 0.000 2 472 47 47 VAL C C 176.264 0.000 1 473 47 47 VAL CA C 64.000 0.000 1 474 47 47 VAL CB C 31.310 0.000 1 475 47 47 VAL CG1 C 21.112 0.000 1 476 47 47 VAL CG2 C 21.112 0.000 1 477 47 47 VAL N N 126.797 0.000 1 478 48 48 VAL H H 8.283 0.000 1 479 48 48 VAL HA H 4.508 0.000 1 480 48 48 VAL HB H 1.986 0.000 1 481 48 48 VAL HG1 H 0.720 0.000 2 482 48 48 VAL HG2 H 0.569 0.000 2 483 48 48 VAL C C 174.595 0.000 1 484 48 48 VAL CA C 61.101 0.000 1 485 48 48 VAL CB C 34.032 0.000 1 486 48 48 VAL CG1 C 21.800 0.000 1 487 48 48 VAL CG2 C 19.970 0.000 1 488 48 48 VAL N N 128.641 0.000 1 489 49 49 ALA H H 8.060 0.000 1 490 49 49 ALA HA H 4.763 0.000 1 491 49 49 ALA HB H 1.630 0.000 1 492 49 49 ALA C C 177.105 0.000 1 493 49 49 ALA CA C 52.522 0.000 1 494 49 49 ALA CB C 16.864 0.000 1 495 49 49 ALA N N 128.798 0.000 1 496 50 50 GLY H H 7.984 0.000 1 497 50 50 GLY HA2 H 4.029 0.000 2 498 50 50 GLY HA3 H 4.029 0.000 2 499 50 50 GLY C C 173.315 0.000 1 500 50 50 GLY CA C 45.018 0.000 1 501 50 50 GLY N N 108.327 0.000 1 502 51 51 THR H H 9.115 0.000 1 503 51 51 THR HA H 5.036 0.000 1 504 51 51 THR HB H 3.775 0.000 1 505 51 51 THR HG2 H 0.750 0.000 1 506 51 51 THR CA C 61.775 0.000 1 507 51 51 THR CB C 71.267 0.000 1 508 51 51 THR CG2 C 22.200 0.000 1 509 51 51 THR N N 117.109 0.000 1 510 52 52 LEU H H 9.215 0.000 1 511 52 52 LEU HA H 5.256 0.000 1 512 52 52 LEU HB2 H 1.700 0.000 2 513 52 52 LEU HB3 H 1.700 0.000 2 514 52 52 LEU HG H 0.711 0.000 1 515 52 52 LEU HD1 H 0.691 0.000 2 516 52 52 LEU HD2 H 0.633 0.000 2 517 52 52 LEU C C 175.395 0.000 1 518 52 52 LEU CA C 52.928 0.000 1 519 52 52 LEU CB C 44.200 0.000 1 520 52 52 LEU CG C 25.302 0.000 1 521 52 52 LEU CD1 C 23.514 0.000 1 522 52 52 LEU CD2 C 23.339 0.000 1 523 52 52 LEU N N 128.704 0.000 1 524 53 53 HIS H H 9.603 0.000 1 525 53 53 HIS HA H 4.940 0.000 1 526 53 53 HIS HB2 H 3.125 0.000 2 527 53 53 HIS HB3 H 2.910 0.000 2 528 53 53 HIS C C 174.406 0.000 1 529 53 53 HIS CA C 55.828 0.000 1 530 53 53 HIS CB C 32.567 0.000 1 531 53 53 HIS N N 126.797 0.000 1 532 54 54 HIS H H 9.063 0.000 1 533 54 54 HIS HA H 5.486 0.000 1 534 54 54 HIS HB2 H 3.115 0.000 2 535 54 54 HIS HB3 H 2.945 0.000 2 536 54 54 HIS C C 174.473 0.000 1 537 54 54 HIS CA C 54.275 0.000 1 538 54 54 HIS CB C 32.391 0.000 1 539 54 54 HIS N N 124.703 0.000 1 540 55 55 LEU H H 9.432 0.000 1 541 55 55 LEU HA H 5.403 0.000 1 542 55 55 LEU HB2 H 1.705 0.000 2 543 55 55 LEU HB3 H 1.505 0.000 2 544 55 55 LEU HG H 1.781 0.000 1 545 55 55 LEU HD1 H 0.882 0.000 2 546 55 55 LEU HD2 H 1.063 0.000 2 547 55 55 LEU C C 175.876 0.000 1 548 55 55 LEU CA C 53.426 0.000 1 549 55 55 LEU CB C 45.887 0.000 1 550 55 55 LEU CG C 27.294 0.000 1 551 55 55 LEU CD1 C 26.532 0.000 1 552 55 55 LEU CD2 C 25.155 0.000 1 553 55 55 LEU N N 124.578 0.000 1 554 56 56 VAL H H 8.840 0.000 1 555 56 56 VAL HA H 4.720 0.000 1 556 56 56 VAL HB H 1.883 0.000 1 557 56 56 VAL HG1 H 0.877 0.000 2 558 56 56 VAL HG2 H 0.877 0.000 2 559 56 56 VAL C C 175.117 0.000 1 560 56 56 VAL CA C 62.498 0.000 1 561 56 56 VAL CB C 32.155 0.000 1 562 56 56 VAL CG1 C 20.907 0.000 1 563 56 56 VAL CG2 C 20.907 0.000 1 564 56 56 VAL N N 122.203 0.000 1 565 57 57 LEU H H 9.784 0.000 1 566 57 57 LEU HA H 4.997 0.000 1 567 57 57 LEU HB2 H 1.664 0.000 2 568 57 57 LEU HB3 H 1.239 0.000 2 569 57 57 LEU HG H 1.662 0.000 1 570 57 57 LEU HD1 H 0.813 0.000 2 571 57 57 LEU HD2 H 0.911 0.000 2 572 57 57 LEU C C 174.339 0.000 1 573 57 57 LEU CA C 53.250 0.000 1 574 57 57 LEU CB C 44.520 0.000 1 575 57 57 LEU CG C 26.268 0.000 1 576 57 57 LEU CD1 C 26.268 0.000 1 577 57 57 LEU CD2 C 26.708 0.000 1 578 57 57 LEU N N 126.985 0.000 1 579 58 58 GLU H H 9.004 0.000 1 580 58 58 GLU HA H 5.354 0.000 1 581 58 58 GLU HB2 H 2.048 0.000 2 582 58 58 GLU HB3 H 1.800 0.000 2 583 58 58 GLU HG2 H 1.967 0.000 2 584 58 58 GLU HG3 H 1.967 0.000 2 585 58 58 GLU C C 175.841 0.000 1 586 58 58 GLU CA C 55.213 0.000 1 587 58 58 GLU CB C 32.146 0.000 1 588 58 58 GLU CG C 37.371 0.000 1 589 58 58 GLU N N 122.891 0.000 1 590 59 59 VAL H H 9.379 0.000 1 591 59 59 VAL HA H 5.359 0.000 1 592 59 59 VAL HB H 2.074 0.000 1 593 59 59 VAL HG1 H 0.862 0.000 2 594 59 59 VAL HG2 H 0.770 0.000 2 595 59 59 VAL C C 173.566 0.000 1 596 59 59 VAL CA C 58.201 0.000 1 597 59 59 VAL CB C 35.262 0.000 1 598 59 59 VAL CG1 C 20.819 0.000 1 599 59 59 VAL CG2 C 21.223 0.000 1 600 59 59 VAL N N 120.859 0.000 1 601 60 60 LEU H H 9.222 0.000 1 602 60 60 LEU HA H 4.904 0.000 1 603 60 60 LEU HB2 H 1.586 0.000 2 604 60 60 LEU HB3 H 1.410 0.000 2 605 60 60 LEU HG H 0.794 0.000 1 606 60 60 LEU HD1 H 0.725 0.000 2 607 60 60 LEU HD2 H 0.725 0.000 2 608 60 60 LEU C C 176.156 0.000 1 609 60 60 LEU CA C 53.719 0.000 1 610 60 60 LEU CB C 45.076 0.000 1 611 60 60 LEU CG C 24.950 0.000 1 612 60 60 LEU CD1 C 24.071 0.000 1 613 60 60 LEU CD2 C 24.071 0.000 1 614 60 60 LEU N N 121.172 0.000 1 615 61 61 ASP H H 9.110 0.000 1 616 61 61 ASP HA H 4.836 0.000 1 617 61 61 ASP HB2 H 2.783 0.000 2 618 61 61 ASP HB3 H 2.304 0.000 2 619 61 61 ASP C C 175.826 0.000 1 620 61 61 ASP CA C 52.137 0.000 1 621 61 61 ASP CB C 42.996 0.000 1 622 61 61 ASP N N 123.047 0.000 1 623 62 62 ALA H H 9.127 0.000 1 624 62 62 ALA HA H 4.020 0.000 1 625 62 62 ALA HB H 1.390 0.000 1 626 62 62 ALA C C 177.782 0.000 1 627 62 62 ALA CA C 52.752 0.000 1 628 62 62 ALA CB C 16.688 0.000 1 629 62 62 ALA N N 129.923 0.000 1 630 63 63 GLY H H 8.253 0.000 1 631 63 63 GLY HA2 H 4.288 0.000 2 632 63 63 GLY HA3 H 3.589 0.000 2 633 63 63 GLY C C 175.991 0.000 1 634 63 63 GLY CA C 45.252 0.000 1 635 63 63 GLY N N 102.576 0.000 1 636 64 64 LYS H H 7.755 0.000 1 637 64 64 LYS HA H 4.654 0.000 1 638 64 64 LYS HB2 H 1.930 0.000 2 639 64 64 LYS HB3 H 1.854 0.000 2 640 64 64 LYS HG2 H 1.515 0.000 2 641 64 64 LYS HG3 H 1.420 0.000 2 642 64 64 LYS HD2 H 1.757 0.000 2 643 64 64 LYS HD3 H 1.757 0.000 2 644 64 64 LYS HE2 H 3.081 0.000 2 645 64 64 LYS HE3 H 3.081 0.000 2 646 64 64 LYS C C 175.658 0.000 1 647 64 64 LYS CA C 54.334 0.000 1 648 64 64 LYS CB C 33.973 0.000 1 649 64 64 LYS CG C 24.686 0.000 1 650 64 64 LYS CD C 28.700 0.000 1 651 64 64 LYS CE C 42.030 0.000 1 652 64 64 LYS N N 121.297 0.000 1 653 65 65 LYS H H 8.740 0.000 1 654 65 65 LYS HA H 5.148 0.000 1 655 65 65 LYS HB2 H 1.835 0.000 2 656 65 65 LYS HB3 H 1.742 0.000 2 657 65 65 LYS HG2 H 1.537 0.000 2 658 65 65 LYS HG3 H 1.317 0.000 2 659 65 65 LYS HD2 H 1.678 0.000 2 660 65 65 LYS HD3 H 1.678 0.000 2 661 65 65 LYS HE2 H 2.970 0.000 2 662 65 65 LYS HE3 H 2.871 0.000 2 663 65 65 LYS C C 176.839 0.000 1 664 65 65 LYS CA C 56.590 0.000 1 665 65 65 LYS CB C 33.006 0.000 1 666 65 65 LYS CG C 26.063 0.000 1 667 65 65 LYS CD C 28.993 0.000 1 668 65 65 LYS CE C 41.795 0.000 1 669 65 65 LYS N N 125.141 0.000 1 670 66 66 LYS H H 9.274 0.000 1 671 66 66 LYS HA H 5.033 0.000 1 672 66 66 LYS HB2 H 1.863 0.000 2 673 66 66 LYS HB3 H 1.736 0.000 2 674 66 66 LYS C C 173.759 0.000 1 675 66 66 LYS CA C 55.564 0.000 1 676 66 66 LYS CB C 39.217 0.000 1 677 66 66 LYS N N 123.547 0.000 1 678 67 67 LEU H H 8.922 0.000 1 679 67 67 LEU HA H 5.740 0.000 1 680 67 67 LEU HB2 H 1.556 0.000 2 681 67 67 LEU HB3 H 1.155 0.000 2 682 67 67 LEU HG H 1.517 0.000 1 683 67 67 LEU HD1 H 0.823 0.000 2 684 67 67 LEU HD2 H 0.823 0.000 2 685 67 67 LEU C C 176.037 0.000 1 686 67 67 LEU CA C 53.191 0.000 1 687 67 67 LEU CB C 44.110 0.000 1 688 67 67 LEU CG C 26.620 0.000 1 689 67 67 LEU CD1 C 23.720 0.000 1 690 67 67 LEU CD2 C 23.720 0.000 1 691 67 67 LEU N N 120.578 0.000 1 692 68 68 TYR H H 9.250 0.000 1 693 68 68 TYR HA H 4.992 0.000 1 694 68 68 TYR HB2 H 2.163 0.000 2 695 68 68 TYR HB3 H 1.747 0.000 2 696 68 68 TYR HD1 H 6.550 0.000 1 697 68 68 TYR HD2 H 6.550 0.000 1 698 68 68 TYR HE1 H 6.406 0.000 1 699 68 68 TYR HE2 H 6.406 0.000 1 700 68 68 TYR C C 173.999 0.000 1 701 68 68 TYR CA C 55.974 0.000 1 702 68 68 TYR CB C 43.641 0.000 1 703 68 68 TYR N N 123.016 0.000 1 704 69 69 GLU H H 9.209 0.000 1 705 69 69 GLU HA H 5.388 0.000 1 706 69 69 GLU HB2 H 1.838 0.000 2 707 69 69 GLU HB3 H 1.838 0.000 2 708 69 69 GLU HG2 H 2.167 0.000 2 709 69 69 GLU HG3 H 2.167 0.000 2 710 69 69 GLU C C 174.373 0.000 1 711 69 69 GLU CA C 53.719 0.000 1 712 69 69 GLU CB C 32.567 0.000 1 713 69 69 GLU CG C 36.288 0.000 1 714 69 69 GLU N N 119.609 0.000 1 715 70 70 ALA H H 9.262 0.000 1 716 70 70 ALA HA H 5.510 0.000 1 717 70 70 ALA HB H 1.356 0.000 1 718 70 70 ALA C C 175.774 0.000 1 719 70 70 ALA CA C 49.441 0.000 1 720 70 70 ALA CB C 23.427 0.000 1 721 70 70 ALA N N 125.141 0.000 1 722 71 71 LYS H H 8.525 0.000 1 723 71 71 LYS HA H 5.745 0.000 1 724 71 71 LYS HB2 H 1.703 0.000 2 725 71 71 LYS HB3 H 1.683 0.000 2 726 71 71 LYS HG2 H 1.199 0.000 2 727 71 71 LYS HG3 H 1.199 0.000 2 728 71 71 LYS HD2 H 1.520 0.000 2 729 71 71 LYS HD3 H 1.520 0.000 2 730 71 71 LYS HE2 H 2.622 0.000 2 731 71 71 LYS HE3 H 2.622 0.000 2 732 71 71 LYS C C 175.934 0.000 1 733 71 71 LYS CA C 54.715 0.000 1 734 71 71 LYS CB C 35.760 0.000 1 735 71 71 LYS CG C 25.536 0.000 1 736 71 71 LYS CD C 26.532 0.000 1 737 71 71 LYS CE C 41.678 0.000 1 738 71 71 LYS N N 120.422 0.000 1 739 72 72 ILE H H 9.344 0.000 1 740 72 72 ILE HA H 5.095 0.000 1 741 72 72 ILE HB H 1.810 0.000 1 742 72 72 ILE HG12 H 0.730 0.000 2 743 72 72 ILE HG13 H 0.730 0.000 2 744 72 72 ILE HG2 H 1.009 0.000 1 745 72 72 ILE HD1 H 0.880 0.000 1 746 72 72 ILE C C 173.536 0.000 1 747 72 72 ILE CA C 60.369 0.000 1 748 72 72 ILE CB C 42.674 0.000 1 749 72 72 ILE CG1 C 19.325 0.000 1 750 72 72 ILE CG2 C 17.216 0.000 1 751 72 72 ILE CD1 C 19.471 0.000 1 752 72 72 ILE N N 125.024 0.000 1 753 73 73 TRP H H 9.415 0.000 1 754 73 73 TRP HA H 5.800 0.000 1 755 73 73 TRP HB2 H 3.611 0.000 2 756 73 73 TRP HB3 H 3.015 0.000 2 757 73 73 TRP HD1 H 6.768 0.000 1 758 73 73 TRP HE1 H 10.390 0.000 1 759 73 73 TRP HE3 H 6.972 0.000 1 760 73 73 TRP HZ2 H 6.972 0.000 1 761 73 73 TRP HZ3 H 6.741 0.000 1 762 73 73 TRP HH2 H 6.741 0.000 1 763 73 73 TRP C C 174.582 0.000 1 764 73 73 TRP CA C 54.000 0.000 1 765 73 73 TRP CB C 31.560 0.000 1 766 73 73 TRP N N 131.235 0.000 1 767 73 73 TRP NE1 N 128.757 0.000 1 768 74 74 VAL H H 9.549 0.000 1 769 74 74 VAL HA H 4.870 0.000 1 770 74 74 VAL HB H 2.206 0.000 1 771 74 74 VAL HG1 H 1.020 0.000 2 772 74 74 VAL HG2 H 0.916 0.000 2 773 74 74 VAL C C 174.854 0.000 1 774 74 74 VAL CA C 60.189 0.000 1 775 74 74 VAL CB C 34.700 0.000 1 776 74 74 VAL CG1 C 21.786 0.000 1 777 74 74 VAL CG2 C 21.786 0.000 1 778 74 74 VAL N N 125.204 0.000 1 779 75 75 LYS H H 7.854 0.000 1 780 75 75 LYS C C 175.018 0.000 1 781 75 75 LYS CA C 54.660 0.000 1 782 75 75 LYS CB C 34.330 0.000 1 783 75 75 LYS N N 121.922 0.000 1 784 76 76 PRO HA H 4.357 0.000 1 785 76 76 PRO HB2 H 2.085 0.000 2 786 76 76 PRO HB3 H 2.085 0.000 2 787 76 76 PRO HG2 H 2.182 0.000 2 788 76 76 PRO HG3 H 2.182 0.000 2 789 76 76 PRO C C 177.852 0.000 1 790 76 76 PRO CA C 64.998 0.000 1 791 76 76 PRO CB C 31.700 0.000 1 792 77 77 TRP H H 7.010 0.000 1 793 77 77 TRP HA H 4.640 0.000 1 794 77 77 TRP HB2 H 3.409 0.000 2 795 77 77 TRP HB3 H 3.409 0.000 2 796 77 77 TRP HD1 H 7.150 0.000 1 797 77 77 TRP HE1 H 10.360 0.000 1 798 77 77 TRP HE3 H 7.600 0.000 1 799 77 77 TRP HZ2 H 7.012 0.000 1 800 77 77 TRP HZ3 H 7.150 0.000 1 801 77 77 TRP HH2 H 7.110 0.000 1 802 77 77 TRP C C 175.001 0.000 1 803 77 77 TRP CA C 58.662 0.000 1 804 77 77 TRP CB C 27.499 0.000 1 805 77 77 TRP N N 114.265 0.000 1 806 77 77 TRP NE1 N 131.000 0.000 1 807 78 78 MET H H 6.963 0.000 1 808 78 78 MET HA H 4.778 0.000 1 809 78 78 MET HB2 H 2.015 0.000 2 810 78 78 MET HB3 H 2.015 0.000 2 811 78 78 MET HE H 1.972 0.000 1 812 78 78 MET C C 174.157 0.000 1 813 78 78 MET CA C 54.026 0.000 1 814 78 78 MET CB C 32.744 0.000 1 815 78 78 MET CE C 16.190 0.000 1 816 78 78 MET N N 117.390 0.000 1 817 79 79 ASP H H 7.808 0.000 1 818 79 79 ASP HA H 4.264 0.000 1 819 79 79 ASP HB2 H 2.882 0.000 2 820 79 79 ASP HB3 H 2.421 0.000 2 821 79 79 ASP C C 173.910 0.000 1 822 79 79 ASP CA C 54.715 0.000 1 823 79 79 ASP CB C 39.422 0.000 1 824 79 79 ASP N N 118.765 0.000 1 825 80 80 PHE H H 6.875 0.000 1 826 80 80 PHE HA H 4.645 0.000 1 827 80 80 PHE HB2 H 2.680 0.000 2 828 80 80 PHE HB3 H 2.680 0.000 2 829 80 80 PHE HD1 H 7.357 0.000 1 830 80 80 PHE HD2 H 7.357 0.000 1 831 80 80 PHE HE1 H 7.845 0.000 1 832 80 80 PHE HE2 H 7.845 0.000 1 833 80 80 PHE C C 174.564 0.000 1 834 80 80 PHE CA C 57.117 0.000 1 835 80 80 PHE CB C 41.356 0.000 1 836 80 80 PHE N N 118.015 0.000 1 837 81 81 LYS H H 7.761 0.000 1 838 81 81 LYS C C 173.886 0.000 1 839 81 81 LYS CA C 54.852 0.000 1 840 81 81 LYS CB C 35.207 0.000 1 841 81 81 LYS N N 128.110 0.000 1 842 82 82 GLN H H 8.834 0.000 1 843 82 82 GLN HA H 4.610 0.000 1 844 82 82 GLN HB2 H 1.860 0.000 2 845 82 82 GLN HB3 H 1.980 0.000 2 846 82 82 GLN HG2 H 2.177 0.000 2 847 82 82 GLN HG3 H 2.177 0.000 2 848 82 82 GLN HE21 H 7.751 0.000 2 849 82 82 GLN HE22 H 7.006 0.000 2 850 82 82 GLN C C 175.018 0.000 1 851 82 82 GLN CA C 54.749 0.000 1 852 82 82 GLN CB C 33.889 0.000 1 853 82 82 GLN CG C 36.300 0.000 1 854 82 82 GLN N N 121.094 0.000 1 855 82 82 GLN NE2 N 111.470 0.000 1 856 83 83 LEU H H 8.836 0.000 1 857 83 83 LEU HA H 4.680 0.000 1 858 83 83 LEU HB2 H 2.343 0.000 2 859 83 83 LEU HB3 H 2.128 0.000 2 860 83 83 LEU HG H 0.826 0.000 1 861 83 83 LEU HD1 H 0.882 0.000 2 862 83 83 LEU HD2 H 0.520 0.000 2 863 83 83 LEU C C 175.118 0.000 1 864 83 83 LEU CA C 54.200 0.000 1 865 83 83 LEU CB C 40.682 0.000 1 866 83 83 LEU CG C 23.000 0.000 1 867 83 83 LEU CD1 C 28.800 0.000 1 868 83 83 LEU CD2 C 28.800 0.000 1 869 83 83 LEU N N 122.172 0.000 1 870 84 84 GLN H H 9.291 0.000 1 871 84 84 GLN HA H 4.567 0.000 1 872 84 84 GLN HB2 H 2.201 0.000 2 873 84 84 GLN HB3 H 1.961 0.000 2 874 84 84 GLN HG2 H 2.397 0.000 2 875 84 84 GLN HG3 H 2.397 0.000 2 876 84 84 GLN HE21 H 7.317 0.000 2 877 84 84 GLN HE22 H 6.561 0.000 2 878 84 84 GLN C C 176.044 0.000 1 879 84 84 GLN CA C 56.824 0.000 1 880 84 84 GLN CB C 30.516 0.000 1 881 84 84 GLN CG C 34.471 0.000 1 882 84 84 GLN N N 128.329 0.000 1 883 84 84 GLN NE2 N 110.452 0.000 1 884 85 85 GLU H H 7.626 0.000 1 885 85 85 GLU HA H 4.630 0.000 1 886 85 85 GLU HB2 H 2.240 0.000 2 887 85 85 GLU HB3 H 2.240 0.000 2 888 85 85 GLU HG2 H 2.236 0.000 2 889 85 85 GLU HG3 H 2.236 0.000 2 890 85 85 GLU C C 173.941 0.000 1 891 85 85 GLU CA C 55.900 0.000 1 892 85 85 GLU CB C 34.237 0.000 1 893 85 85 GLU CG C 36.786 0.000 1 894 85 85 GLU N N 115.609 0.000 1 895 86 86 PHE H H 8.922 0.000 1 896 86 86 PHE HA H 5.295 0.000 1 897 86 86 PHE HB2 H 3.462 0.000 2 898 86 86 PHE HB3 H 2.851 0.000 2 899 86 86 PHE HD1 H 6.183 0.000 1 900 86 86 PHE HD2 H 6.183 0.000 1 901 86 86 PHE HE1 H 6.860 0.000 1 902 86 86 PHE HE2 H 6.860 0.000 1 903 86 86 PHE C C 173.918 0.000 1 904 86 86 PHE CA C 58.611 0.000 1 905 86 86 PHE CB C 41.000 0.000 1 906 86 86 PHE N N 127.360 0.000 1 907 87 87 LYS H H 8.898 0.000 1 908 87 87 LYS HA H 4.924 0.000 1 909 87 87 LYS HB2 H 1.840 0.000 2 910 87 87 LYS HB3 H 1.840 0.000 2 911 87 87 LYS HG2 H 1.395 0.000 2 912 87 87 LYS HG3 H 1.395 0.000 2 913 87 87 LYS HD2 H 1.683 0.000 2 914 87 87 LYS HD3 H 1.683 0.000 2 915 87 87 LYS HE2 H 2.939 0.000 2 916 87 87 LYS HE3 H 2.939 0.000 2 917 87 87 LYS C C 174.030 0.000 1 918 87 87 LYS CA C 54.744 0.000 1 919 87 87 LYS CB C 36.493 0.000 1 920 87 87 LYS CG C 24.276 0.000 1 921 87 87 LYS CD C 28.641 0.000 1 922 87 87 LYS CE C 41.912 0.000 1 923 87 87 LYS N N 125.922 0.000 1 924 88 88 HIS H H 8.805 0.000 1 925 88 88 HIS HA H 3.182 0.000 1 926 88 88 HIS HB2 H 2.788 0.000 2 927 88 88 HIS HB3 H 2.655 0.000 2 928 88 88 HIS C C 174.575 0.000 1 929 88 88 HIS CA C 57.176 0.000 1 930 88 88 HIS CB C 31.366 0.000 1 931 88 88 HIS N N 126.579 0.000 1 932 89 89 VAL H H 8.247 0.000 1 933 89 89 VAL HA H 3.927 0.000 1 934 89 89 VAL HB H 1.675 0.000 1 935 89 89 VAL HG1 H 0.715 0.000 2 936 89 89 VAL HG2 H 0.765 0.000 2 937 89 89 VAL C C 175.180 0.000 1 938 89 89 VAL CA C 63.504 0.000 1 939 89 89 VAL CB C 33.094 0.000 1 940 89 89 VAL CG1 C 20.761 0.000 1 941 89 89 VAL CG2 C 20.761 0.000 1 942 89 89 VAL N N 126.235 0.000 1 943 90 90 ARG HA H 4.163 0.000 1 944 90 90 ARG HB2 H 1.852 0.000 2 945 90 90 ARG HB3 H 1.678 0.000 2 946 90 90 ARG HG2 H 1.374 0.000 2 947 90 90 ARG HG3 H 1.374 0.000 2 948 90 90 ARG HD2 H 3.125 0.000 2 949 90 90 ARG HD3 H 3.125 0.000 2 950 90 90 ARG C C 173.814 0.000 1 951 90 90 ARG CA C 56.141 0.000 1 952 90 90 ARG CB C 31.624 0.000 1 953 90 90 ARG CG C 26.581 0.000 1 954 90 90 ARG CD C 43.132 0.000 1 955 91 91 ASP HA H 5.017 0.000 1 956 91 91 ASP HB2 H 2.930 0.000 2 957 91 91 ASP HB3 H 2.682 0.000 2 958 91 91 ASP C C 175.282 0.000 1 959 91 91 ASP CA C 54.334 0.000 1 960 91 91 ASP CB C 40.100 0.000 1 961 92 92 VAL H H 7.744 0.000 1 962 92 92 VAL HA H 3.910 0.000 1 963 92 92 VAL HB H 1.843 0.000 1 964 92 92 VAL HG1 H 0.872 0.000 2 965 92 92 VAL HG2 H 0.872 0.000 2 966 92 92 VAL CA C 64.500 0.000 1 967 92 92 VAL CB C 32.065 0.000 1 968 92 92 VAL CG1 C 21.962 0.000 1 969 92 92 VAL CG2 C 21.962 0.000 1 970 92 92 VAL N N 126.010 0.000 1 971 93 93 PRO HA H 4.405 0.000 1 972 93 93 PRO HB2 H 1.794 0.000 2 973 93 93 PRO HB3 H 2.234 0.000 2 974 93 93 PRO HG2 H 1.968 0.000 2 975 93 93 PRO HG3 H 2.016 0.000 2 976 93 93 PRO HD2 H 3.862 0.000 2 977 93 93 PRO HD3 H 3.704 0.000 2 978 93 93 PRO C C 176.485 0.000 1 979 93 93 PRO CA C 63.115 0.000 1 980 93 93 PRO CB C 32.080 0.000 1 981 93 93 PRO CG C 27.360 0.000 1 982 93 93 PRO CD C 51.015 0.000 1 983 94 94 SER H H 8.243 0.000 1 984 94 94 SER HA H 4.403 0.000 1 985 94 94 SER HB2 H 3.805 0.000 2 986 94 94 SER HB3 H 3.805 0.000 2 987 94 94 SER C C 174.194 0.000 1 988 94 94 SER CA C 57.935 0.000 1 989 94 94 SER CB C 63.434 0.000 1 990 94 94 SER N N 115.428 0.000 1 991 95 95 PHE HA H 4.760 0.000 1 992 95 95 PHE HB2 H 3.190 0.000 2 993 95 95 PHE HB3 H 3.072 0.000 2 994 95 95 PHE C C 175.689 0.000 1 995 95 95 PHE CA C 57.685 0.000 1 996 95 95 PHE CB C 37.935 0.000 1 997 96 96 THR H H 8.148 0.000 1 998 96 96 THR HA H 4.399 0.000 1 999 96 96 THR HB H 4.218 0.000 1 1000 96 96 THR HG2 H 1.193 0.000 1 1001 96 96 THR C C 174.257 0.000 1 1002 96 96 THR CA C 61.434 0.000 1 1003 96 96 THR CB C 69.934 0.000 1 1004 96 96 THR CG2 C 21.623 0.000 1 1005 96 96 THR N N 115.786 0.000 1 1006 97 97 SER H H 8.319 0.000 1 1007 97 97 SER HA H 3.835 0.000 1 1008 97 97 SER HB2 H 4.029 0.000 2 1009 97 97 SER HB3 H 4.029 0.000 2 1010 97 97 SER CA C 63.850 0.000 1 1011 97 97 SER CB C 64.168 0.000 1 1012 97 97 SER N N 118.005 0.000 1 1013 98 98 SER H H 8.348 0.000 1 1014 98 98 SER HA H 4.477 0.000 1 1015 98 98 SER HB2 H 3.856 0.000 2 1016 98 98 SER HB3 H 3.856 0.000 2 1017 98 98 SER C C 174.213 0.000 1 1018 98 98 SER CA C 58.435 0.000 1 1019 98 98 SER CB C 63.747 0.000 1 1020 98 98 SER N N 117.662 0.000 1 1021 99 99 ASP H H 8.271 0.000 1 1022 99 99 ASP HA H 4.575 0.000 1 1023 99 99 ASP HB2 H 2.659 0.000 2 1024 99 99 ASP HB3 H 2.639 0.000 2 1025 99 99 ASP C C 176.369 0.000 1 1026 99 99 ASP CA C 54.408 0.000 1 1027 99 99 ASP CB C 41.060 0.000 1 1028 99 99 ASP N N 122.109 0.000 1 1029 100 100 LEU H H 8.130 0.000 1 1030 100 100 LEU HA H 4.286 0.000 1 1031 100 100 LEU HB2 H 1.647 0.000 2 1032 100 100 LEU HB3 H 1.647 0.000 2 1033 100 100 LEU HG H 1.642 0.000 1 1034 100 100 LEU HD1 H 0.935 0.000 2 1035 100 100 LEU HD2 H 0.864 0.000 2 1036 100 100 LEU C C 178.013 0.000 1 1037 100 100 LEU CA C 55.435 0.000 1 1038 100 100 LEU CB C 41.935 0.000 1 1039 100 100 LEU CG C 26.685 0.000 1 1040 100 100 LEU CD1 C 24.990 0.000 1 1041 100 100 LEU CD2 C 23.350 0.000 1 1042 100 100 LEU N N 122.328 0.000 1 1043 101 101 GLY H H 8.330 0.000 1 1044 101 101 GLY HA2 H 4.017 0.000 2 1045 101 101 GLY HA3 H 3.788 0.000 2 1046 101 101 GLY C C 173.800 0.000 1 1047 101 101 GLY CA C 45.300 0.000 1 1048 101 101 GLY N N 108.920 0.000 1 1049 102 102 ALA H H 7.960 0.000 1 1050 102 102 ALA HA H 4.330 0.000 1 1051 102 102 ALA HB H 1.383 0.000 1 1052 102 102 ALA C C 177.599 0.000 1 1053 102 102 ALA CA C 52.247 0.000 1 1054 102 102 ALA CB C 19.311 0.000 1 1055 102 102 ALA N N 123.485 0.000 1 1056 103 103 LYS H H 8.294 0.000 1 1057 103 103 LYS HA H 4.426 0.000 1 1058 103 103 LYS HB2 H 1.885 0.000 2 1059 103 103 LYS HB3 H 1.794 0.000 2 1060 103 103 LYS HG2 H 1.477 0.000 2 1061 103 103 LYS HG3 H 1.450 0.000 2 1062 103 103 LYS HD2 H 1.696 0.000 2 1063 103 103 LYS HD3 H 1.684 0.000 2 1064 103 103 LYS HE2 H 3.002 0.000 2 1065 103 103 LYS HE3 H 3.002 0.000 2 1066 103 103 LYS C C 176.820 0.000 1 1067 103 103 LYS CA C 55.935 0.000 1 1068 103 103 LYS CB C 32.935 0.000 1 1069 103 103 LYS CG C 24.435 0.000 1 1070 103 103 LYS CD C 28.685 0.000 1 1071 103 103 LYS CE C 41.685 0.000 1 1072 103 103 LYS N N 120.859 0.000 1 1073 104 104 THR H H 8.177 0.000 1 1074 104 104 THR HA H 4.374 0.000 1 1075 104 104 THR HB H 4.272 0.000 1 1076 104 104 THR HG2 H 1.193 0.000 1 1077 104 104 THR C C 174.424 0.000 1 1078 104 104 THR CA C 61.622 0.000 1 1079 104 104 THR CB C 69.809 0.000 1 1080 104 104 THR CG2 C 21.623 0.000 1 1081 104 104 THR N N 115.171 0.000 1 1082 105 105 ASP H H 8.353 0.000 1 1083 105 105 ASP HA H 4.575 0.000 1 1084 105 105 ASP HB2 H 2.659 0.000 2 1085 105 105 ASP HB3 H 2.639 0.000 2 1086 105 105 ASP C C 175.938 0.000 1 1087 105 105 ASP CA C 54.408 0.000 1 1088 105 105 ASP CB C 41.060 0.000 1 1089 105 105 ASP N N 122.234 0.000 1 1090 106 106 ASP H H 8.236 0.000 1 1091 106 106 ASP HA H 4.575 0.000 1 1092 106 106 ASP HB2 H 2.659 0.000 2 1093 106 106 ASP HB3 H 2.639 0.000 2 1094 106 106 ASP C C 176.278 0.000 1 1095 106 106 ASP CA C 54.408 0.000 1 1096 106 106 ASP CB C 41.060 0.000 1 1097 106 106 ASP N N 120.328 0.000 1 1098 107 107 GLN H H 8.236 0.000 1 1099 107 107 GLN HA H 4.321 0.000 1 1100 107 107 GLN HB2 H 2.028 0.000 2 1101 107 107 GLN HB3 H 2.131 0.000 2 1102 107 107 GLN HG2 H 2.351 0.000 2 1103 107 107 GLN HG3 H 2.351 0.000 2 1104 107 107 GLN HE21 H 7.546 0.000 2 1105 107 107 GLN HE22 H 6.800 0.000 2 1106 107 107 GLN C C 175.963 0.000 1 1107 107 107 GLN CA C 55.896 0.000 1 1108 107 107 GLN CB C 29.099 0.000 1 1109 107 107 GLN CG C 33.685 0.000 1 1110 107 107 GLN CD C 175.963 0.000 1 1111 107 107 GLN N N 119.892 0.000 1 1112 107 107 GLN NE2 N 112.092 0.000 1 1113 108 108 VAL H H 8.071 0.000 1 1114 108 108 VAL HA H 4.145 0.000 1 1115 108 108 VAL HB H 2.083 0.000 1 1116 108 108 VAL HG1 H 0.920 0.000 2 1117 108 108 VAL HG2 H 0.920 0.000 2 1118 108 108 VAL C C 175.976 0.000 1 1119 108 108 VAL CA C 62.184 0.000 1 1120 108 108 VAL CB C 32.748 0.000 1 1121 108 108 VAL CG1 C 20.430 0.000 1 1122 108 108 VAL CG2 C 20.430 0.000 1 1123 108 108 VAL N N 120.516 0.000 1 1124 109 109 SER H H 8.300 0.000 1 1125 109 109 SER HA H 4.490 0.000 1 1126 109 109 SER HB2 H 3.820 0.000 2 1127 109 109 SER HB3 H 3.820 0.000 2 1128 109 109 SER C C 174.574 0.000 1 1129 109 109 SER CA C 58.185 0.000 1 1130 109 109 SER CB C 63.872 0.000 1 1131 109 109 SER N N 119.234 0.000 1 1132 110 110 GLY H H 8.523 0.000 1 1133 110 110 GLY HA2 H 3.949 0.000 2 1134 110 110 GLY HA3 H 3.949 0.000 2 1135 110 110 GLY C C 173.578 0.000 1 1136 110 110 GLY CA C 44.990 0.000 1 1137 110 110 GLY N N 111.108 0.000 1 1138 111 111 TRP H H 7.877 0.000 1 1139 111 111 TRP HA H 4.575 0.000 1 1140 111 111 TRP HB2 H 2.986 0.000 2 1141 111 111 TRP HB3 H 2.893 0.000 2 1142 111 111 TRP HE1 H 9.965 0.000 1 1143 111 111 TRP HE3 H 7.543 0.000 1 1144 111 111 TRP HZ2 H 7.495 0.000 1 1145 111 111 TRP HZ3 H 7.131 0.000 1 1146 111 111 TRP HH2 H 7.236 0.000 1 1147 111 111 TRP C C 176.967 0.000 1 1148 111 111 TRP CA C 56.872 0.000 1 1149 111 111 TRP CB C 29.998 0.000 1 1150 111 111 TRP N N 120.362 0.000 1 1151 111 111 TRP NE1 N 130.119 0.000 1 1152 112 112 ARG H H 8.963 0.000 1 1153 112 112 ARG HA H 5.059 0.000 1 1154 112 112 ARG HB2 H 1.971 0.000 2 1155 112 112 ARG HB3 H 1.896 0.000 2 1156 112 112 ARG HG2 H 1.766 0.000 2 1157 112 112 ARG HG3 H 1.766 0.000 2 1158 112 112 ARG HD2 H 3.266 0.000 2 1159 112 112 ARG HD3 H 3.266 0.000 2 1160 112 112 ARG C C 173.155 0.000 1 1161 112 112 ARG CA C 52.935 0.000 1 1162 112 112 ARG CB C 31.685 0.000 1 1163 112 112 ARG CG C 26.185 0.000 1 1164 112 112 ARG CD C 43.185 0.000 1 1165 112 112 ARG N N 122.552 0.000 1 1166 113 113 PRO HA H 5.340 0.000 1 1167 113 113 PRO HB2 H 2.448 0.000 2 1168 113 113 PRO HB3 H 1.954 0.000 2 1169 113 113 PRO HG2 H 2.213 0.000 2 1170 113 113 PRO HG3 H 2.138 0.000 2 1171 113 113 PRO HD2 H 3.770 0.000 2 1172 113 113 PRO HD3 H 3.770 0.000 2 1173 113 113 PRO C C 177.048 0.000 1 1174 113 113 PRO CA C 62.934 0.000 1 1175 113 113 PRO CB C 32.185 0.000 1 1176 113 113 PRO CG C 27.435 0.000 1 1177 113 113 PRO CD C 50.435 0.000 1 1178 114 114 VAL H H 8.453 0.000 1 1179 114 114 VAL HA H 4.895 0.000 1 1180 114 114 VAL HB H 2.100 0.000 1 1181 114 114 VAL HG1 H 1.026 0.000 2 1182 114 114 VAL HG2 H 0.860 0.000 2 1183 114 114 VAL C C 172.601 0.000 1 1184 114 114 VAL CA C 57.685 0.000 1 1185 114 114 VAL CB C 33.935 0.000 1 1186 114 114 VAL CG1 C 22.185 0.000 1 1187 114 114 VAL CG2 C 20.400 0.000 1 1188 114 114 VAL N N 119.765 0.000 1 1189 115 115 PRO HA H 4.403 0.000 1 1190 115 115 PRO HB2 H 2.235 0.000 2 1191 115 115 PRO HB3 H 1.778 0.000 2 1192 115 115 PRO HG2 H 2.009 0.000 2 1193 115 115 PRO HG3 H 1.966 0.000 2 1194 115 115 PRO HD2 H 3.700 0.000 2 1195 115 115 PRO HD3 H 3.852 0.000 2 1196 115 115 PRO C C 178.943 0.000 1 1197 115 115 PRO CA C 62.934 0.000 1 1198 115 115 PRO CB C 31.935 0.000 1 1199 115 115 PRO CG C 27.185 0.000 1 1200 115 115 PRO CD C 50.685 0.000 1 1201 116 116 VAL H H 8.095 0.000 1 1202 116 116 VAL HA H 3.805 0.000 1 1203 116 116 VAL HB H 2.127 0.000 1 1204 116 116 VAL HG1 H 0.794 0.000 2 1205 116 116 VAL HG2 H 0.946 0.000 2 1206 116 116 VAL C C 175.414 0.000 1 1207 116 116 VAL CA C 64.184 0.000 1 1208 116 116 VAL CB C 30.935 0.000 1 1209 116 116 VAL CG1 C 17.422 0.000 1 1210 116 116 VAL CG2 C 21.936 0.000 1 1211 116 116 VAL N N 115.109 0.000 1 1212 117 117 HIS H H 7.215 0.000 1 1213 117 117 HIS HA H 4.585 0.000 1 1214 117 117 HIS HB2 H 3.156 0.000 2 1215 117 117 HIS HB3 H 3.200 0.000 2 1216 117 117 HIS C C 175.410 0.000 1 1217 117 117 HIS CA C 55.247 0.000 1 1218 117 117 HIS CB C 29.540 0.000 1 1219 117 117 HIS N N 112.608 0.000 1 1220 118 118 ASP H H 7.450 0.000 1 1221 118 118 ASP HA H 4.588 0.000 1 1222 118 118 ASP HB2 H 2.470 0.000 2 1223 118 118 ASP HB3 H 2.178 0.000 2 1224 118 118 ASP C C 175.159 0.000 1 1225 118 118 ASP CA C 53.136 0.000 1 1226 118 118 ASP CB C 43.203 0.000 1 1227 118 118 ASP N N 125.047 0.000 1 1228 119 119 PRO HA H 4.169 0.000 1 1229 119 119 PRO HB2 H 2.419 0.000 2 1230 119 119 PRO HB3 H 2.419 0.000 2 1231 119 119 PRO HG2 H 2.120 0.000 2 1232 119 119 PRO HG3 H 2.036 0.000 2 1233 119 119 PRO HD2 H 3.851 0.000 2 1234 119 119 PRO HD3 H 3.851 0.000 2 1235 119 119 PRO C C 178.584 0.000 1 1236 119 119 PRO CA C 65.559 0.000 1 1237 119 119 PRO CB C 32.185 0.000 1 1238 119 119 PRO CG C 27.620 0.000 1 1239 119 119 PRO CD C 50.997 0.000 1 1240 120 120 VAL H H 8.283 0.000 1 1241 120 120 VAL HA H 3.925 0.000 1 1242 120 120 VAL HB H 2.190 0.000 1 1243 120 120 VAL HG1 H 1.129 0.000 2 1244 120 120 VAL HG2 H 1.056 0.000 2 1245 120 120 VAL C C 177.564 0.000 1 1246 120 120 VAL CA C 65.747 0.000 1 1247 120 120 VAL CB C 30.998 0.000 1 1248 120 120 VAL CG1 C 22.498 0.000 1 1249 120 120 VAL CG2 C 22.061 0.000 1 1250 120 120 VAL N N 118.734 0.000 1 1251 121 121 VAL H H 7.221 0.000 1 1252 121 121 VAL HA H 2.874 0.000 1 1253 121 121 VAL HB H 2.234 0.000 1 1254 121 121 VAL HG1 H 0.909 0.000 2 1255 121 121 VAL HG2 H 0.826 0.000 2 1256 121 121 VAL C C 177.942 0.000 1 1257 121 121 VAL CA C 65.997 0.000 1 1258 121 121 VAL CB C 31.123 0.000 1 1259 121 121 VAL CG1 C 24.060 0.000 1 1260 121 121 VAL CG2 C 22.373 0.000 1 1261 121 121 VAL N N 121.641 0.000 1 1262 122 122 GLN H H 7.948 0.000 1 1263 122 122 GLN HA H 3.583 0.000 1 1264 122 122 GLN HB2 H 2.207 0.000 2 1265 122 122 GLN HB3 H 2.041 0.000 2 1266 122 122 GLN HG2 H 2.376 0.000 2 1267 122 122 GLN HG3 H 2.376 0.000 2 1268 122 122 GLN HE21 H 6.794 0.000 2 1269 122 122 GLN HE22 H 7.518 0.000 2 1270 122 122 GLN C C 178.557 0.000 1 1271 122 122 GLN CA C 59.059 0.000 1 1272 122 122 GLN CB C 27.811 0.000 1 1273 122 122 GLN CG C 33.810 0.000 1 1274 122 122 GLN N N 116.171 0.000 1 1275 122 122 GLN NE2 N 112.064 0.000 1 1276 123 123 ASP H H 8.148 0.000 1 1277 123 123 ASP HA H 4.430 0.000 1 1278 123 123 ASP HB2 H 2.915 0.000 2 1279 123 123 ASP HB3 H 2.680 0.000 2 1280 123 123 ASP C C 178.898 0.000 1 1281 123 123 ASP CA C 57.185 0.000 1 1282 123 123 ASP CB C 40.185 0.000 1 1283 123 123 ASP N N 121.078 0.000 1 1284 124 124 ALA H H 8.394 0.000 1 1285 124 124 ALA HA H 2.717 0.000 1 1286 124 124 ALA HB H 0.875 0.000 1 1287 124 124 ALA C C 179.126 0.000 1 1288 124 124 ALA CA C 54.747 0.000 1 1289 124 124 ALA CB C 17.436 0.000 1 1290 124 124 ALA N N 125.516 0.000 1 1291 125 125 ALA H H 8.464 0.000 1 1292 125 125 ALA HA H 3.719 0.000 1 1293 125 125 ALA HB H 1.320 0.000 1 1294 125 125 ALA C C 179.182 0.000 1 1295 125 125 ALA CA C 55.122 0.000 1 1296 125 125 ALA CB C 19.311 0.000 1 1297 125 125 ALA N N 121.047 0.000 1 1298 126 126 HIS H H 8.288 0.000 1 1299 126 126 HIS HA H 4.145 0.000 1 1300 126 126 HIS HB2 H 3.219 0.000 2 1301 126 126 HIS HB3 H 3.219 0.000 2 1302 126 126 HIS C C 178.332 0.000 1 1303 126 126 HIS CA C 59.934 0.000 1 1304 126 126 HIS CB C 28.685 0.000 1 1305 126 126 HIS N N 116.328 0.000 1 1306 127 127 HIS H H 8.189 0.000 1 1307 127 127 HIS HA H 4.051 0.000 1 1308 127 127 HIS HB2 H 3.745 0.000 2 1309 127 127 HIS HB3 H 3.743 0.000 2 1310 127 127 HIS C C 178.501 0.000 1 1311 127 127 HIS CA C 60.684 0.000 1 1312 127 127 HIS CB C 29.435 0.000 1 1313 127 127 HIS N N 119.703 0.000 1 1314 128 128 ALA H H 8.271 0.000 1 1315 128 128 ALA HA H 3.832 0.000 1 1316 128 128 ALA HB H 1.403 0.000 1 1317 128 128 ALA C C 178.209 0.000 1 1318 128 128 ALA CA C 55.435 0.000 1 1319 128 128 ALA CB C 18.061 0.000 1 1320 128 128 ALA N N 122.109 0.000 1 1321 129 129 ILE H H 7.849 0.000 1 1322 129 129 ILE HA H 3.475 0.000 1 1323 129 129 ILE HB H 1.954 0.000 1 1324 129 129 ILE HG12 H 1.530 0.000 2 1325 129 129 ILE HG13 H 1.320 0.000 2 1326 129 129 ILE HG2 H 0.841 0.000 1 1327 129 129 ILE HD1 H 0.582 0.000 1 1328 129 129 ILE C C 176.679 0.000 1 1329 129 129 ILE CA C 62.622 0.000 1 1330 129 129 ILE CB C 35.685 0.000 1 1331 129 129 ILE CG1 C 28.185 0.000 1 1332 129 129 ILE CG2 C 18.436 0.000 1 1333 129 129 ILE CD1 C 12.311 0.000 1 1334 129 129 ILE N N 115.540 0.000 1 1335 130 130 LYS H H 7.843 0.000 1 1336 130 130 LYS HA H 3.981 0.000 1 1337 130 130 LYS HB2 H 1.794 0.000 2 1338 130 130 LYS HB3 H 1.794 0.000 2 1339 130 130 LYS HG2 H 1.456 0.000 2 1340 130 130 LYS HG3 H 1.332 0.000 2 1341 130 130 LYS HD2 H 1.638 0.000 2 1342 130 130 LYS HD3 H 1.638 0.000 2 1343 130 130 LYS HE2 H 2.950 0.000 2 1344 130 130 LYS HE3 H 2.950 0.000 2 1345 130 130 LYS C C 178.820 0.000 1 1346 130 130 LYS CA C 58.934 0.000 1 1347 130 130 LYS CB C 31.935 0.000 1 1348 130 130 LYS CG C 24.685 0.000 1 1349 130 130 LYS CD C 28.935 0.000 1 1350 130 130 LYS CE C 41.685 0.000 1 1351 130 130 LYS N N 121.109 0.000 1 1352 131 131 THR H H 7.684 0.000 1 1353 131 131 THR HA H 3.885 0.000 1 1354 131 131 THR HB H 4.066 0.000 1 1355 131 131 THR HG2 H 1.208 0.000 1 1356 131 131 THR C C 175.938 0.000 1 1357 131 131 THR CA C 66.684 0.000 1 1358 131 131 THR CB C 68.122 0.000 1 1359 131 131 THR CG2 C 21.671 0.000 1 1360 131 131 THR N N 115.890 0.000 1 1361 132 132 ILE H H 8.161 0.000 1 1362 132 132 ILE HA H 3.270 0.000 1 1363 132 132 ILE HB H 1.344 0.000 1 1364 132 132 ILE HG12 H 1.442 0.000 2 1365 132 132 ILE HG13 H 0.552 0.000 2 1366 132 132 ILE HG2 H 0.117 0.000 1 1367 132 132 ILE HD1 H 0.087 0.000 1 1368 132 132 ILE C C 178.653 0.000 1 1369 132 132 ILE CA C 65.747 0.000 1 1370 132 132 ILE CB C 37.998 0.000 1 1371 132 132 ILE CG1 C 28.998 0.000 1 1372 132 132 ILE CG2 C 16.061 0.000 1 1373 132 132 ILE CD1 C 12.811 0.000 1 1374 132 132 ILE N N 122.350 0.000 1 1375 133 133 GLN H H 8.214 0.000 1 1376 133 133 GLN HA H 3.729 0.000 1 1377 133 133 GLN HB2 H 2.202 0.000 2 1378 133 133 GLN HB3 H 2.143 0.000 2 1379 133 133 GLN HG2 H 2.400 0.000 2 1380 133 133 GLN HG3 H 2.400 0.000 2 1381 133 133 GLN HE21 H 6.959 0.000 2 1382 133 133 GLN HE22 H 7.518 0.000 2 1383 133 133 GLN C C 178.739 0.000 1 1384 133 133 GLN CA C 59.059 0.000 1 1385 133 133 GLN CB C 28.533 0.000 1 1386 133 133 GLN CG C 33.185 0.000 1 1387 133 133 GLN N N 120.163 0.000 1 1388 133 133 GLN NE2 N 111.700 0.000 1 1389 134 134 GLU H H 8.013 0.000 1 1390 134 134 GLU HA H 4.098 0.000 1 1391 134 134 GLU HB2 H 2.121 0.000 2 1392 134 134 GLU HB3 H 2.252 0.000 2 1393 134 134 GLU HG2 H 2.509 0.000 2 1394 134 134 GLU HG3 H 2.349 0.000 2 1395 134 134 GLU C C 178.775 0.000 1 1396 134 134 GLU CA C 58.934 0.000 1 1397 134 134 GLU CB C 29.185 0.000 1 1398 134 134 GLU CG C 36.185 0.000 1 1399 134 134 GLU N N 119.515 0.000 1 1400 135 135 ARG H H 7.890 0.000 1 1401 135 135 ARG HA H 4.297 0.000 1 1402 135 135 ARG HB2 H 1.778 0.000 2 1403 135 135 ARG HB3 H 1.961 0.000 2 1404 135 135 ARG HG2 H 1.883 0.000 2 1405 135 135 ARG HG3 H 1.883 0.000 2 1406 135 135 ARG HD2 H 3.142 0.000 2 1407 135 135 ARG HD3 H 2.895 0.000 2 1408 135 135 ARG C C 176.905 0.000 1 1409 135 135 ARG CA C 56.935 0.000 1 1410 135 135 ARG CB C 30.435 0.000 1 1411 135 135 ARG CG C 26.685 0.000 1 1412 135 135 ARG CD C 43.685 0.000 1 1413 135 135 ARG N N 116.859 0.000 1 1414 136 136 SER H H 7.608 0.000 1 1415 136 136 SER HA H 4.461 0.000 1 1416 136 136 SER HB2 H 3.880 0.000 2 1417 136 136 SER HB3 H 3.880 0.000 2 1418 136 136 SER C C 174.873 0.000 1 1419 136 136 SER CA C 58.525 0.000 1 1420 136 136 SER CB C 63.784 0.000 1 1421 136 136 SER N N 113.608 0.000 1 1422 137 137 ASN H H 8.934 0.000 1 1423 137 137 ASN HA H 4.667 0.000 1 1424 137 137 ASN HB2 H 2.996 0.000 2 1425 137 137 ASN HB3 H 2.820 0.000 2 1426 137 137 ASN HD21 H 7.508 0.000 2 1427 137 137 ASN HD22 H 6.796 0.000 2 1428 137 137 ASN C C 174.873 0.000 1 1429 137 137 ASN CA C 53.247 0.000 1 1430 137 137 ASN CB C 37.700 0.000 1 1431 137 137 ASN N N 126.004 0.000 1 1432 137 137 ASN ND2 N 112.330 0.000 1 1433 138 138 SER H H 8.025 0.000 1 1434 138 138 SER HA H 4.496 0.000 1 1435 138 138 SER HB2 H 4.112 0.000 2 1436 138 138 SER HB3 H 4.112 0.000 2 1437 138 138 SER C C 177.591 0.000 1 1438 138 138 SER CA C 58.436 0.000 1 1439 138 138 SER CB C 64.556 0.000 1 1440 138 138 SER N N 112.640 0.000 1 1441 139 139 LEU H H 8.300 0.000 1 1442 139 139 LEU HA H 4.110 0.000 1 1443 139 139 LEU HB2 H 1.279 0.000 2 1444 139 139 LEU HB3 H 1.327 0.000 2 1445 139 139 LEU HG H 1.450 0.000 1 1446 139 139 LEU HD1 H 0.829 0.000 2 1447 139 139 LEU HD2 H 0.758 0.000 2 1448 139 139 LEU C C 176.894 0.000 1 1449 139 139 LEU CA C 55.935 0.000 1 1450 139 139 LEU CB C 41.685 0.000 1 1451 139 139 LEU CG C 26.685 0.000 1 1452 139 139 LEU CD1 C 24.565 0.000 1 1453 139 139 LEU CD2 C 23.289 0.000 1 1454 139 139 LEU N N 120.874 0.000 1 1455 140 140 PHE H H 7.637 0.000 1 1456 140 140 PHE HA H 4.930 0.000 1 1457 140 140 PHE HB2 H 3.067 0.000 2 1458 140 140 PHE HB3 H 2.551 0.000 2 1459 140 140 PHE HD1 H 7.416 0.000 1 1460 140 140 PHE HD2 H 7.416 0.000 1 1461 140 140 PHE HE1 H 6.873 0.000 1 1462 140 140 PHE HE2 H 6.873 0.000 1 1463 140 140 PHE HZ H 7.053 0.000 1 1464 140 140 PHE C C 173.916 0.000 1 1465 140 140 PHE CA C 54.185 0.000 1 1466 140 140 PHE CB C 39.685 0.000 1 1467 140 140 PHE N N 117.390 0.000 1 1468 141 141 PRO HA H 4.567 0.000 1 1469 141 141 PRO HB2 H 2.270 0.000 2 1470 141 141 PRO HB3 H 1.930 0.000 2 1471 141 141 PRO HG2 H 2.071 0.000 2 1472 141 141 PRO HG3 H 2.071 0.000 2 1473 141 141 PRO HD2 H 3.824 0.000 2 1474 141 141 PRO HD3 H 3.899 0.000 2 1475 141 141 PRO C C 176.584 0.000 1 1476 141 141 PRO CA C 62.434 0.000 1 1477 141 141 PRO CB C 32.000 0.000 1 1478 141 141 PRO CG C 26.935 0.000 1 1479 141 141 PRO CD C 50.685 0.000 1 1480 142 142 TYR H H 8.500 0.000 1 1481 142 142 TYR HA H 4.672 0.000 1 1482 142 142 TYR HB2 H 2.889 0.000 2 1483 142 142 TYR HB3 H 2.481 0.000 2 1484 142 142 TYR HD1 H 6.466 0.000 1 1485 142 142 TYR HD2 H 6.466 0.000 1 1486 142 142 TYR HE1 H 6.466 0.000 1 1487 142 142 TYR HE2 H 6.466 0.000 1 1488 142 142 TYR C C 175.663 0.000 1 1489 142 142 TYR CA C 57.685 0.000 1 1490 142 142 TYR CB C 40.935 0.000 1 1491 142 142 TYR N N 120.265 0.000 1 1492 143 143 GLU H H 8.676 0.000 1 1493 143 143 GLU HB2 H 1.977 0.000 2 1494 143 143 GLU HB3 H 2.134 0.000 2 1495 143 143 GLU HG2 H 2.201 0.000 2 1496 143 143 GLU HG3 H 2.181 0.000 2 1497 143 143 GLU C C 175.472 0.000 1 1498 143 143 GLU CA C 54.472 0.000 1 1499 143 143 GLU CB C 32.625 0.000 1 1500 143 143 GLU N N 120.297 0.000 1 1501 144 144 LEU H H 8.122 0.000 1 1502 144 144 LEU HA H 4.248 0.000 1 1503 144 144 LEU HB2 H 1.930 0.000 2 1504 144 144 LEU HB3 H 1.919 0.000 2 1505 144 144 LEU HG H 1.300 0.000 1 1506 144 144 LEU HD1 H 0.805 0.000 2 1507 144 144 LEU HD2 H 0.524 0.000 2 1508 144 144 LEU C C 175.803 0.000 1 1509 144 144 LEU CA C 55.685 0.000 1 1510 144 144 LEU CB C 41.935 0.000 1 1511 144 144 LEU CG C 26.935 0.000 1 1512 144 144 LEU CD1 C 23.836 0.000 1 1513 144 144 LEU CD2 C 25.993 0.000 1 1514 144 144 LEU N N 122.780 0.000 1 1515 145 145 SER H H 9.090 0.000 1 1516 145 145 SER HA H 4.731 0.000 1 1517 145 145 SER HB2 H 3.743 0.000 2 1518 145 145 SER HB3 H 3.523 0.000 2 1519 145 145 SER C C 174.270 0.000 1 1520 145 145 SER CA C 59.184 0.000 1 1521 145 145 SER CB C 61.934 0.000 1 1522 145 145 SER N N 124.347 0.000 1 1523 146 146 GLU H H 7.849 0.000 1 1524 146 146 GLU HA H 4.500 0.000 1 1525 146 146 GLU HB2 H 1.937 0.000 2 1526 146 146 GLU HB3 H 1.937 0.000 2 1527 146 146 GLU HG2 H 2.100 0.000 2 1528 146 146 GLU HG3 H 2.100 0.000 2 1529 146 146 GLU C C 174.332 0.000 1 1530 146 146 GLU CA C 56.181 0.000 1 1531 146 146 GLU CB C 33.615 0.000 1 1532 146 146 GLU CG C 35.572 0.000 1 1533 146 146 GLU N N 115.640 0.000 1 1534 147 147 VAL H H 8.882 0.000 1 1535 147 147 VAL HA H 4.157 0.000 1 1536 147 147 VAL HB H 2.036 0.000 1 1537 147 147 VAL HG1 H 0.790 0.000 2 1538 147 147 VAL HG2 H 0.720 0.000 2 1539 147 147 VAL C C 174.728 0.000 1 1540 147 147 VAL CA C 62.184 0.000 1 1541 147 147 VAL CB C 30.685 0.000 1 1542 147 147 VAL CG1 C 21.186 0.000 1 1543 147 147 VAL CG2 C 21.317 0.000 1 1544 147 147 VAL N N 125.922 0.000 1 1545 148 148 VAL H H 8.916 0.000 1 1546 148 148 VAL HA H 3.675 0.000 1 1547 148 148 VAL HB H 1.719 0.000 1 1548 148 148 VAL HG1 H 0.914 0.000 2 1549 148 148 VAL HG2 H 0.880 0.000 2 1550 148 148 VAL C C 176.413 0.000 1 1551 148 148 VAL CA C 65.334 0.000 1 1552 148 148 VAL CB C 32.185 0.000 1 1553 148 148 VAL CG1 C 21.123 0.000 1 1554 148 148 VAL CG2 C 22.248 0.000 1 1555 148 148 VAL N N 128.735 0.000 1 1556 149 149 HIS H H 7.333 0.000 1 1557 149 149 HIS HA H 4.579 0.000 1 1558 149 149 HIS HB2 H 3.130 0.000 2 1559 149 149 HIS HB3 H 3.200 0.000 2 1560 149 149 HIS HD1 H 5.807 0.000 1 1561 149 149 HIS HD2 H 5.807 0.000 1 1562 149 149 HIS HE1 H 7.538 0.000 1 1563 149 149 HIS C C 172.681 0.000 1 1564 149 149 HIS CA C 54.935 0.000 1 1565 149 149 HIS CB C 32.685 0.000 1 1566 149 149 HIS N N 111.233 0.000 1 1567 150 150 ALA H H 8.793 0.000 1 1568 150 150 ALA HA H 5.225 0.000 1 1569 150 150 ALA HB H 1.276 0.000 1 1570 150 150 ALA C C 173.563 0.000 1 1571 150 150 ALA CA C 51.997 0.000 1 1572 150 150 ALA CB C 23.060 0.000 1 1573 150 150 ALA N N 123.116 0.000 1 1574 151 151 ASN H H 9.195 0.000 1 1575 151 151 ASN HA H 5.786 0.000 1 1576 151 151 ASN HB2 H 2.648 0.000 2 1577 151 151 ASN HB3 H 2.621 0.000 2 1578 151 151 ASN HD21 H 7.922 0.000 2 1579 151 151 ASN HD22 H 6.687 0.000 2 1580 151 151 ASN C C 174.144 0.000 1 1581 151 151 ASN CA C 51.435 0.000 1 1582 151 151 ASN CB C 43.185 0.000 1 1583 151 151 ASN N N 119.859 0.000 1 1584 151 151 ASN ND2 N 113.929 0.000 1 1585 152 152 ALA H H 9.813 0.000 1 1586 152 152 ALA HA H 5.889 0.000 1 1587 152 152 ALA HB H 1.134 0.000 1 1588 152 152 ALA C C 176.438 0.000 1 1589 152 152 ALA CA C 50.810 0.000 1 1590 152 152 ALA CB C 24.560 0.000 1 1591 152 152 ALA N N 123.203 0.000 1 1592 153 153 GLU H H 8.113 0.000 1 1593 153 153 GLU HA H 4.215 0.000 1 1594 153 153 GLU HB2 H 0.736 0.000 2 1595 153 153 GLU HB3 H 0.285 0.000 2 1596 153 153 GLU HG2 H 1.461 0.000 2 1597 153 153 GLU HG3 H 1.239 0.000 2 1598 153 153 GLU C C 174.521 0.000 1 1599 153 153 GLU CA C 55.185 0.000 1 1600 153 153 GLU CB C 31.185 0.000 1 1601 153 153 GLU CG C 35.685 0.000 1 1602 153 153 GLU N N 122.703 0.000 1 1603 154 154 VAL H H 8.470 0.000 1 1604 154 154 VAL HA H 4.460 0.000 1 1605 154 154 VAL HB H 1.864 0.000 1 1606 154 154 VAL HG1 H 0.801 0.000 2 1607 154 154 VAL HG2 H 0.751 0.000 2 1608 154 154 VAL C C 175.190 0.000 1 1609 154 154 VAL CA C 61.434 0.000 1 1610 154 154 VAL CB C 32.685 0.000 1 1611 154 154 VAL CG1 C 20.936 0.000 1 1612 154 154 VAL CG2 C 20.429 0.000 1 1613 154 154 VAL N N 128.329 0.000 1 1614 155 155 VAL H H 8.247 0.000 1 1615 155 155 VAL HA H 4.232 0.000 1 1616 155 155 VAL HB H 1.944 0.000 1 1617 155 155 VAL HG1 H 0.709 0.000 2 1618 155 155 VAL HG2 H 0.795 0.000 2 1619 155 155 VAL C C 175.117 0.000 1 1620 155 155 VAL CA C 60.434 0.000 1 1621 155 155 VAL CB C 33.435 0.000 1 1622 155 155 VAL CG1 C 20.204 0.000 1 1623 155 155 VAL CG2 C 20.936 0.000 1 1624 155 155 VAL N N 126.016 0.000 1 1625 156 156 ASP H H 8.951 0.000 1 1626 156 156 ASP HA H 4.180 0.000 1 1627 156 156 ASP HB2 H 2.905 0.000 2 1628 156 156 ASP HB3 H 2.820 0.000 2 1629 156 156 ASP C C 176.334 0.000 1 1630 156 156 ASP CA C 56.685 0.000 1 1631 156 156 ASP CB C 39.435 0.000 1 1632 156 156 ASP N N 125.485 0.000 1 1633 157 157 THR H H 7.802 0.000 1 1634 157 157 THR HA H 4.374 0.000 1 1635 157 157 THR HB H 4.589 0.000 1 1636 157 157 THR HG2 H 1.165 0.000 1 1637 157 157 THR C C 174.259 0.000 1 1638 157 157 THR CA C 61.622 0.000 1 1639 157 157 THR CB C 69.100 0.000 1 1640 157 157 THR CG2 C 21.561 0.000 1 1641 157 157 THR N N 110.327 0.000 1 1642 158 158 SER H H 8.077 0.000 1 1643 158 158 SER HA H 4.900 0.000 1 1644 158 158 SER HB2 H 3.754 0.000 2 1645 158 158 SER HB3 H 3.754 0.000 2 1646 158 158 SER C C 172.007 0.000 1 1647 158 158 SER CA C 57.622 0.000 1 1648 158 158 SER CB C 64.809 0.000 1 1649 158 158 SER N N 117.828 0.000 1 1650 159 159 ALA H H 8.547 0.000 1 1651 159 159 ALA HA H 4.853 0.000 1 1652 159 159 ALA HB H 1.192 0.000 1 1653 159 159 ALA C C 174.991 0.000 1 1654 159 159 ALA CA C 50.935 0.000 1 1655 159 159 ALA CB C 22.000 0.000 1 1656 159 159 ALA N N 125.579 0.000 1 1657 160 160 LYS H H 8.113 0.000 1 1658 160 160 LYS HA H 4.833 0.000 1 1659 160 160 LYS HB2 H 1.452 0.000 2 1660 160 160 LYS HB3 H 1.294 0.000 2 1661 160 160 LYS HG2 H 0.969 0.000 2 1662 160 160 LYS HG3 H 0.969 0.000 2 1663 160 160 LYS HD2 H 1.321 0.000 2 1664 160 160 LYS HD3 H 1.309 0.000 2 1665 160 160 LYS HE2 H 2.508 0.000 2 1666 160 160 LYS HE3 H 2.465 0.000 2 1667 160 160 LYS C C 174.347 0.000 1 1668 160 160 LYS CA C 54.685 0.000 1 1669 160 160 LYS CB C 36.435 0.000 1 1670 160 160 LYS CG C 23.185 0.000 1 1671 160 160 LYS CD C 29.185 0.000 1 1672 160 160 LYS CE C 41.435 0.000 1 1673 160 160 LYS N N 120.359 0.000 1 1674 161 161 PHE H H 9.350 0.000 1 1675 161 161 PHE HA H 5.633 0.000 1 1676 161 161 PHE HB2 H 3.088 0.000 2 1677 161 161 PHE HB3 H 2.970 0.000 2 1678 161 161 PHE HD1 H 6.973 0.000 1 1679 161 161 PHE HD2 H 6.973 0.000 1 1680 161 161 PHE HE1 H 7.366 0.000 1 1681 161 161 PHE HE2 H 7.366 0.000 1 1682 161 161 PHE HZ H 7.182 0.000 1 1683 161 161 PHE C C 174.298 0.000 1 1684 161 161 PHE CA C 57.060 0.000 1 1685 161 161 PHE CB C 41.935 0.000 1 1686 161 161 PHE N N 117.828 0.000 1 1687 162 162 ASP H H 9.303 0.000 1 1688 162 162 ASP HA H 5.537 0.000 1 1689 162 162 ASP HB2 H 2.213 0.000 2 1690 162 162 ASP HB3 H 2.138 0.000 2 1691 162 162 ASP C C 176.424 0.000 1 1692 162 162 ASP CA C 52.685 0.000 1 1693 162 162 ASP CB C 43.435 0.000 1 1694 162 162 ASP N N 126.110 0.000 1 1695 163 163 MET H H 9.151 0.000 1 1696 163 163 MET HA H 5.327 0.000 1 1697 163 163 MET HB2 H 2.001 0.000 2 1698 163 163 MET HB3 H 1.921 0.000 2 1699 163 163 MET HG2 H 2.444 0.000 2 1700 163 163 MET HG3 H 2.444 0.000 2 1701 163 163 MET HE H 1.810 0.000 1 1702 163 163 MET C C 173.439 0.000 1 1703 163 163 MET CA C 53.935 0.000 1 1704 163 163 MET CB C 38.373 0.000 1 1705 163 163 MET CG C 32.248 0.000 1 1706 163 163 MET CE C 17.186 0.000 1 1707 163 163 MET N N 121.297 0.000 1 1708 164 164 LEU H H 7.690 0.000 1 1709 164 164 LEU HA H 5.177 0.000 1 1710 164 164 LEU HB2 H 1.344 0.000 2 1711 164 164 LEU HB3 H 1.098 0.000 2 1712 164 164 LEU HG H 1.204 0.000 1 1713 164 164 LEU HD1 H 0.829 0.000 2 1714 164 164 LEU HD2 H 0.852 0.000 2 1715 164 164 LEU C C 174.508 0.000 1 1716 164 164 LEU CA C 53.185 0.000 1 1717 164 164 LEU CB C 43.685 0.000 1 1718 164 164 LEU CG C 27.435 0.000 1 1719 164 164 LEU CD1 C 25.900 0.000 1 1720 164 164 LEU CD2 C 23.441 0.000 1 1721 164 164 LEU N N 123.641 0.000 1 1722 165 165 LEU H H 9.573 0.000 1 1723 165 165 LEU HA H 5.059 0.000 1 1724 165 165 LEU HB2 H 1.883 0.000 2 1725 165 165 LEU HB3 H 1.262 0.000 2 1726 165 165 LEU HG H 1.743 0.000 1 1727 165 165 LEU HD1 H 0.770 0.000 2 1728 165 165 LEU HD2 H 0.946 0.000 2 1729 165 165 LEU C C 175.402 0.000 1 1730 165 165 LEU CA C 52.685 0.000 1 1731 165 165 LEU CB C 44.185 0.000 1 1732 165 165 LEU CG C 26.685 0.000 1 1733 165 165 LEU CD1 C 26.418 0.000 1 1734 165 165 LEU CD2 C 25.871 0.000 1 1735 165 165 LEU N N 125.547 0.000 1 1736 166 166 LYS H H 9.098 0.000 1 1737 166 166 LYS HA H 5.106 0.000 1 1738 166 166 LYS HB2 H 1.848 0.000 2 1739 166 166 LYS HB3 H 1.544 0.000 2 1740 166 166 LYS HG2 H 1.312 0.000 2 1741 166 166 LYS HG3 H 1.274 0.000 2 1742 166 166 LYS HD2 H 1.637 0.000 2 1743 166 166 LYS HD3 H 1.637 0.000 2 1744 166 166 LYS HE2 H 2.807 0.000 2 1745 166 166 LYS HE3 H 2.807 0.000 2 1746 166 166 LYS C C 178.543 0.000 1 1747 166 166 LYS CA C 55.935 0.000 1 1748 166 166 LYS CB C 34.185 0.000 1 1749 166 166 LYS CG C 25.435 0.000 1 1750 166 166 LYS CD C 29.185 0.000 1 1751 166 166 LYS CE C 41.435 0.000 1 1752 166 166 LYS N N 122.641 0.000 1 1753 167 167 VAL H H 9.409 0.000 1 1754 167 167 VAL HA H 5.024 0.000 1 1755 167 167 VAL HB H 2.186 0.000 1 1756 167 167 VAL HG1 H 0.934 0.000 2 1757 167 167 VAL HG2 H 0.934 0.000 2 1758 167 167 VAL C C 173.923 0.000 1 1759 167 167 VAL CA C 59.184 0.000 1 1760 167 167 VAL CB C 35.685 0.000 1 1761 167 167 VAL CG1 C 22.000 0.000 1 1762 167 167 VAL CG2 C 22.000 0.000 1 1763 167 167 VAL N N 124.453 0.000 1 1764 168 168 LYS H H 9.092 0.000 1 1765 168 168 LYS HA H 5.153 0.000 1 1766 168 168 LYS HB2 H 1.688 0.000 2 1767 168 168 LYS HB3 H 1.657 0.000 2 1768 168 168 LYS HG2 H 1.338 0.000 2 1769 168 168 LYS HG3 H 1.271 0.000 2 1770 168 168 LYS HD2 H 1.590 0.000 2 1771 168 168 LYS HD3 H 1.590 0.000 2 1772 168 168 LYS HE2 H 2.879 0.000 2 1773 168 168 LYS HE3 H 2.879 0.000 2 1774 168 168 LYS C C 175.438 0.000 1 1775 168 168 LYS CA C 54.685 0.000 1 1776 168 168 LYS CB C 34.935 0.000 1 1777 168 168 LYS CG C 24.935 0.000 1 1778 168 168 LYS CD C 28.935 0.000 1 1779 168 168 LYS CE C 41.435 0.000 1 1780 168 168 LYS N N 123.328 0.000 1 1781 169 169 ARG H H 8.623 0.000 1 1782 169 169 ARG HA H 5.148 0.000 1 1783 169 169 ARG HB2 H 1.660 0.000 2 1784 169 169 ARG HB3 H 1.660 0.000 2 1785 169 169 ARG HG2 H 1.660 0.000 2 1786 169 169 ARG HG3 H 1.660 0.000 2 1787 169 169 ARG HD2 H 2.876 0.000 2 1788 169 169 ARG HD3 H 2.876 0.000 2 1789 169 169 ARG C C 176.888 0.000 1 1790 169 169 ARG CA C 54.815 0.000 1 1791 169 169 ARG CB C 35.200 0.000 1 1792 169 169 ARG CD C 41.500 0.000 1 1793 169 169 ARG N N 123.860 0.000 1 1794 170 170 GLY H H 8.423 0.000 1 1795 170 170 GLY HA2 H 4.019 0.000 2 1796 170 170 GLY HA3 H 3.800 0.000 2 1797 170 170 GLY C C 174.301 0.000 1 1798 170 170 GLY CA C 45.452 0.000 1 1799 170 170 GLY N N 109.340 0.000 1 1800 171 171 GLY H H 7.843 0.000 1 1801 171 171 GLY HA2 H 3.682 0.000 2 1802 171 171 GLY HA3 H 4.019 0.000 2 1803 171 171 GLY C C 173.397 0.000 1 1804 171 171 GLY CA C 45.000 0.000 1 1805 171 171 GLY N N 107.577 0.000 1 1806 172 172 LYS H H 7.532 0.000 1 1807 172 172 LYS HA H 4.567 0.000 1 1808 172 172 LYS HB2 H 1.869 0.000 2 1809 172 172 LYS HB3 H 1.789 0.000 2 1810 172 172 LYS HG2 H 1.368 0.000 2 1811 172 172 LYS HG3 H 1.368 0.000 2 1812 172 172 LYS HD2 H 1.661 0.000 2 1813 172 172 LYS HD3 H 1.661 0.000 2 1814 172 172 LYS HE2 H 2.987 0.000 2 1815 172 172 LYS HE3 H 2.987 0.000 2 1816 172 172 LYS C C 174.970 0.000 1 1817 172 172 LYS CA C 54.435 0.000 1 1818 172 172 LYS CB C 34.185 0.000 1 1819 172 172 LYS CG C 24.435 0.000 1 1820 172 172 LYS CD C 28.685 0.000 1 1821 172 172 LYS CE C 41.935 0.000 1 1822 172 172 LYS N N 121.047 0.000 1 1823 173 173 GLU H H 8.570 0.000 1 1824 173 173 GLU HA H 5.107 0.000 1 1825 173 173 GLU HB2 H 1.930 0.000 2 1826 173 173 GLU HB3 H 1.930 0.000 2 1827 173 173 GLU HG2 H 2.188 0.000 2 1828 173 173 GLU HG3 H 2.001 0.000 2 1829 173 173 GLU C C 175.800 0.000 1 1830 173 173 GLU CA C 55.685 0.000 1 1831 173 173 GLU CB C 31.685 0.000 1 1832 173 173 GLU CG C 37.560 0.000 1 1833 173 173 GLU N N 123.735 0.000 1 1834 174 174 GLU H H 9.098 0.000 1 1835 174 174 GLU HA H 4.576 0.000 1 1836 174 174 GLU HB2 H 1.870 0.000 2 1837 174 174 GLU HB3 H 1.789 0.000 2 1838 174 174 GLU HG2 H 2.159 0.000 2 1839 174 174 GLU HG3 H 2.159 0.000 2 1840 174 174 GLU C C 174.261 0.000 1 1841 174 174 GLU CA C 54.576 0.000 1 1842 174 174 GLU CB C 35.258 0.000 1 1843 174 174 GLU N N 124.485 0.000 1 1844 175 175 LYS H H 8.376 0.000 1 1845 175 175 LYS HA H 5.572 0.000 1 1846 175 175 LYS HB2 H 1.858 0.000 2 1847 175 175 LYS HB3 H 1.585 0.000 2 1848 175 175 LYS HG2 H 1.520 0.000 2 1849 175 175 LYS HG3 H 1.274 0.000 2 1850 175 175 LYS HD2 H 1.687 0.000 2 1851 175 175 LYS HD3 H 1.687 0.000 2 1852 175 175 LYS HE2 H 2.889 0.000 2 1853 175 175 LYS HE3 H 2.889 0.000 2 1854 175 175 LYS C C 175.976 0.000 1 1855 175 175 LYS CA C 54.747 0.000 1 1856 175 175 LYS CB C 34.935 0.000 1 1857 175 175 LYS CG C 25.185 0.000 1 1858 175 175 LYS CD C 29.185 0.000 1 1859 175 175 LYS CE C 41.185 0.000 1 1860 175 175 LYS N N 119.953 0.000 1 1861 176 176 TYR H H 8.945 0.000 1 1862 176 176 TYR HA H 5.016 0.000 1 1863 176 176 TYR HB2 H 2.339 0.000 2 1864 176 176 TYR HB3 H 2.657 0.000 2 1865 176 176 TYR HD1 H 6.995 0.000 1 1866 176 176 TYR HD2 H 6.995 0.000 1 1867 176 176 TYR HE1 H 6.805 0.000 1 1868 176 176 TYR HE2 H 6.805 0.000 1 1869 176 176 TYR C C 174.606 0.000 1 1870 176 176 TYR CA C 56.685 0.000 1 1871 176 176 TYR CB C 42.685 0.000 1 1872 176 176 TYR N N 118.703 0.000 1 1873 177 177 LYS H H 9.198 0.000 1 1874 177 177 LYS HA H 5.209 0.000 1 1875 177 177 LYS HB2 H 1.672 0.000 2 1876 177 177 LYS HB3 H 1.919 0.000 2 1877 177 177 LYS HG2 H 1.403 0.000 2 1878 177 177 LYS HG3 H 1.391 0.000 2 1879 177 177 LYS HD2 H 1.672 0.000 2 1880 177 177 LYS HD3 H 1.672 0.000 2 1881 177 177 LYS HE2 H 2.915 0.000 2 1882 177 177 LYS HE3 H 2.915 0.000 2 1883 177 177 LYS C C 176.735 0.000 1 1884 177 177 LYS CA C 54.810 0.000 1 1885 177 177 LYS CB C 33.435 0.000 1 1886 177 177 LYS CG C 24.685 0.000 1 1887 177 177 LYS CD C 28.685 0.000 1 1888 177 177 LYS CE C 41.435 0.000 1 1889 177 177 LYS N N 125.047 0.000 1 1890 178 178 VAL H H 9.145 0.000 1 1891 178 178 VAL HA H 5.446 0.000 1 1892 178 178 VAL HB H 2.100 0.000 1 1893 178 178 VAL HG1 H 0.911 0.000 2 1894 178 178 VAL HG2 H 0.864 0.000 2 1895 178 178 VAL C C 173.765 0.000 1 1896 178 178 VAL CA C 57.935 0.000 1 1897 178 178 VAL CB C 35.435 0.000 1 1898 178 178 VAL CG1 C 21.936 0.000 1 1899 178 178 VAL CG2 C 20.399 0.000 1 1900 178 178 VAL N N 118.511 0.000 1 1901 179 179 GLU H H 8.511 0.000 1 1902 179 179 GLU HA H 5.997 0.000 1 1903 179 179 GLU HB2 H 2.009 0.000 2 1904 179 179 GLU HB3 H 1.929 0.000 2 1905 179 179 GLU HG2 H 2.598 0.000 2 1906 179 179 GLU HG3 H 2.148 0.000 2 1907 179 179 GLU C C 175.976 0.000 1 1908 179 179 GLU CA C 54.685 0.000 1 1909 179 179 GLU CB C 33.185 0.000 1 1910 179 179 GLU CG C 37.435 0.000 1 1911 179 179 GLU N N 123.266 0.000 1 1912 180 180 VAL H H 9.579 0.000 1 1913 180 180 VAL HA H 5.083 0.000 1 1914 180 180 VAL HB H 2.073 0.000 1 1915 180 180 VAL HG1 H 1.166 0.000 2 1916 180 180 VAL HG2 H 1.016 0.000 2 1917 180 180 VAL C C 174.239 0.000 1 1918 180 180 VAL CA C 60.309 0.000 1 1919 180 180 VAL CB C 35.935 0.000 1 1920 180 180 VAL CG1 C 22.687 0.000 1 1921 180 180 VAL CG2 C 22.491 0.000 1 1922 180 180 VAL N N 126.985 0.000 1 1923 181 181 HIS H H 9.532 0.000 1 1924 181 181 HIS HA H 6.012 0.000 1 1925 181 181 HIS HB2 H 3.233 0.000 2 1926 181 181 HIS HB3 H 3.233 0.000 2 1927 181 181 HIS HD1 H 5.905 0.000 1 1928 181 181 HIS HD2 H 5.905 0.000 1 1929 181 181 HIS HE1 H 7.870 0.000 1 1930 181 181 HIS C C 174.767 0.000 1 1931 181 181 HIS CA C 53.497 0.000 1 1932 181 181 HIS CB C 34.685 0.000 1 1933 181 181 HIS N N 127.860 0.000 1 1934 182 182 LYS H H 9.467 0.000 1 1935 182 182 LYS HA H 4.750 0.000 1 1936 182 182 LYS HB2 H 1.917 0.000 2 1937 182 182 LYS HB3 H 1.639 0.000 2 1938 182 182 LYS HG2 H 1.144 0.000 2 1939 182 182 LYS HG3 H 0.806 0.000 2 1940 182 182 LYS HD2 H 1.274 0.000 2 1941 182 182 LYS HD3 H 1.274 0.000 2 1942 182 182 LYS HE2 H 2.687 0.000 2 1943 182 182 LYS HE3 H 2.687 0.000 2 1944 182 182 LYS C C 175.410 0.000 1 1945 182 182 LYS CA C 55.484 0.000 1 1946 182 182 LYS CB C 35.900 0.000 1 1947 182 182 LYS CG C 24.435 0.000 1 1948 182 182 LYS CD C 28.685 0.000 1 1949 182 182 LYS CE C 41.685 0.000 1 1950 182 182 LYS N N 124.328 0.000 1 1951 183 183 SER H H 8.547 0.000 1 1952 183 183 SER HA H 4.907 0.000 1 1953 183 183 SER HB2 H 4.028 0.000 2 1954 183 183 SER HB3 H 3.840 0.000 2 1955 183 183 SER C C 175.215 0.000 1 1956 183 183 SER CA C 57.185 0.000 1 1957 183 183 SER CB C 63.934 0.000 1 1958 183 183 SER N N 121.922 0.000 1 1959 184 184 THR HA H 4.184 0.000 1 1960 184 184 THR HB H 4.306 0.000 1 1961 184 184 THR HG2 H 1.193 0.000 1 1962 184 184 THR C C 175.661 0.000 1 1963 184 184 THR CA C 63.247 0.000 1 1964 184 184 THR CB C 69.059 0.000 1 1965 184 184 THR CG2 C 21.623 0.000 1 1966 185 185 GLU H H 8.476 0.000 1 1967 185 185 GLU HA H 4.180 0.000 1 1968 185 185 GLU HB2 H 2.041 0.000 2 1969 185 185 GLU HB3 H 1.934 0.000 2 1970 185 185 GLU HG2 H 2.261 0.000 2 1971 185 185 GLU HG3 H 2.261 0.000 2 1972 185 185 GLU C C 177.138 0.000 1 1973 185 185 GLU CA C 57.685 0.000 1 1974 185 185 GLU CB C 29.685 0.000 1 1975 185 185 GLU CG C 36.185 0.000 1 1976 185 185 GLU N N 121.047 0.000 1 1977 186 186 GLU H H 8.030 0.000 1 1978 186 186 GLU HA H 4.286 0.000 1 1979 186 186 GLU HB2 H 2.107 0.000 2 1980 186 186 GLU HB3 H 1.966 0.000 2 1981 186 186 GLU HG2 H 2.235 0.000 2 1982 186 186 GLU HG3 H 2.235 0.000 2 1983 186 186 GLU C C 177.110 0.000 1 1984 186 186 GLU CA C 56.685 0.000 1 1985 186 186 GLU CB C 30.185 0.000 1 1986 186 186 GLU CG C 35.935 0.000 1 1987 186 186 GLU N N 117.828 0.000 1 1988 187 187 GLY H H 8.001 0.000 1 1989 187 187 GLY HA2 H 3.922 0.000 2 1990 187 187 GLY HA3 H 3.922 0.000 2 1991 187 187 GLY C C 177.345 0.000 1 1992 187 187 GLY CA C 45.187 0.000 1 1993 187 187 GLY N N 108.702 0.000 1 1994 188 188 GLY H H 8.330 0.000 1 1995 188 188 GLY HA2 H 3.818 0.000 2 1996 188 188 GLY HA3 H 3.788 0.000 2 1997 188 188 GLY C C 173.417 0.000 1 1998 188 188 GLY CA C 45.287 0.000 1 1999 188 188 GLY N N 108.920 0.000 1 2000 189 189 PHE H H 7.995 0.000 1 2001 189 189 PHE HA H 5.161 0.000 1 2002 189 189 PHE HB2 H 2.417 0.000 2 2003 189 189 PHE HB3 H 1.837 0.000 2 2004 189 189 PHE HD1 H 7.224 0.000 1 2005 189 189 PHE HD2 H 7.224 0.000 1 2006 189 189 PHE HE1 H 7.378 0.000 1 2007 189 189 PHE HE2 H 7.378 0.000 1 2008 189 189 PHE HZ H 7.333 0.000 1 2009 189 189 PHE C C 175.415 0.000 1 2010 189 189 PHE CA C 57.435 0.000 1 2011 189 189 PHE CB C 41.435 0.000 1 2012 189 189 PHE N N 118.609 0.000 1 2013 190 190 ASN H H 9.039 0.000 1 2014 190 190 ASN HA H 5.071 0.000 1 2015 190 190 ASN HB2 H 2.680 0.000 2 2016 190 190 ASN HB3 H 2.680 0.000 2 2017 190 190 ASN HD21 H 7.597 0.000 2 2018 190 190 ASN HD22 H 6.796 0.000 2 2019 190 190 ASN C C 174.517 0.000 1 2020 190 190 ASN CA C 52.435 0.000 1 2021 190 190 ASN CB C 41.685 0.000 1 2022 190 190 ASN N N 116.609 0.000 1 2023 190 190 ASN ND2 N 118.879 0.000 1 2024 191 191 LEU HA H 4.568 0.000 1 2025 191 191 LEU HB2 H 1.300 0.000 2 2026 191 191 LEU HB3 H 1.300 0.000 2 2027 191 191 LEU HG H 1.468 0.000 1 2028 191 191 LEU HD1 H 0.824 0.000 2 2029 191 191 LEU HD2 H 0.971 0.000 2 2030 191 191 LEU C C 174.400 0.000 1 2031 191 191 LEU CA C 55.282 0.000 1 2032 191 191 LEU CB C 42.700 0.000 1 2033 191 191 LEU CG C 27.041 0.000 1 2034 191 191 LEU CD1 C 26.058 0.000 1 2035 191 191 LEU CD2 C 24.960 0.000 1 2036 192 192 LYS H H 8.746 0.000 1 2037 192 192 LYS HA H 4.409 0.000 1 2038 192 192 LYS HB2 H 1.684 0.000 2 2039 192 192 LYS HB3 H 1.251 0.000 2 2040 192 192 LYS HG2 H 0.465 0.000 2 2041 192 192 LYS HG3 H 0.465 0.000 2 2042 192 192 LYS HD2 H 1.391 0.000 2 2043 192 192 LYS HD3 H 1.391 0.000 2 2044 192 192 LYS HE2 H 2.833 0.000 2 2045 192 192 LYS HE3 H 2.727 0.000 2 2046 192 192 LYS C C 176.495 0.000 1 2047 192 192 LYS CA C 55.435 0.000 1 2048 192 192 LYS CB C 32.935 0.000 1 2049 192 192 LYS CG C 22.435 0.000 1 2050 192 192 LYS CD C 27.185 0.000 1 2051 192 192 LYS CE C 41.185 0.000 1 2052 192 192 LYS N N 128.360 0.000 1 2053 193 193 LYS H H 7.602 0.000 1 2054 193 193 LYS HA H 4.661 0.000 1 2055 193 193 LYS HB2 H 1.833 0.000 2 2056 193 193 LYS HB3 H 1.719 0.000 2 2057 193 193 LYS HG2 H 1.370 0.000 2 2058 193 193 LYS HG3 H 1.370 0.000 2 2059 193 193 LYS HD2 H 1.684 0.000 2 2060 193 193 LYS HD3 H 1.684 0.000 2 2061 193 193 LYS HE2 H 3.000 0.000 2 2062 193 193 LYS HE3 H 3.000 0.000 2 2063 193 193 LYS C C 174.126 0.000 1 2064 193 193 LYS CA C 55.935 0.000 1 2065 193 193 LYS CB C 36.935 0.000 1 2066 193 193 LYS CG C 24.435 0.000 1 2067 193 193 LYS CD C 29.435 0.000 1 2068 193 193 LYS CE C 41.685 0.000 1 2069 193 193 LYS N N 117.078 0.000 1 2070 194 194 VAL H H 8.418 0.000 1 2071 194 194 VAL HA H 4.903 0.000 1 2072 194 194 VAL HB H 2.048 0.000 1 2073 194 194 VAL HG1 H 0.889 0.000 2 2074 194 194 VAL HG2 H 0.889 0.000 2 2075 194 194 VAL C C 172.930 0.000 1 2076 194 194 VAL CA C 60.684 0.000 1 2077 194 194 VAL CB C 33.873 0.000 1 2078 194 194 VAL CG1 C 19.600 0.000 1 2079 194 194 VAL CG2 C 22.247 0.000 1 2080 194 194 VAL N N 121.109 0.000 1 2081 195 195 ASP H H 8.898 0.000 1 2082 195 195 ASP HA H 5.100 0.000 1 2083 195 195 ASP HB2 H 2.634 0.000 2 2084 195 195 ASP HB3 H 2.502 0.000 2 2085 195 195 ASP CA C 53.060 0.000 1 2086 195 195 ASP CB C 44.997 0.000 1 2087 195 195 ASP N N 125.992 0.000 1 2088 196 196 LEU H H 8.623 0.000 1 2089 196 196 LEU HA H 4.135 0.000 1 2090 196 196 LEU HB2 H 1.402 0.000 2 2091 196 196 LEU HB3 H 1.402 0.000 2 2092 196 196 LEU HG H 1.297 0.000 1 2093 196 196 LEU HD1 H 0.641 0.000 2 2094 196 196 LEU HD2 H 0.653 0.000 2 2095 196 196 LEU C C 176.060 0.000 1 2096 196 196 LEU CA C 55.185 0.000 1 2097 196 196 LEU CB C 42.435 0.000 1 2098 196 196 LEU CG C 27.185 0.000 1 2099 196 196 LEU CD1 C 24.808 0.000 1 2100 196 196 LEU CD2 C 23.957 0.000 1 2101 196 196 LEU N N 125.297 0.000 1 2102 197 197 ASP H H 8.288 0.000 1 2103 197 197 ASP HA H 4.579 0.000 1 2104 197 197 ASP HB2 H 2.471 0.000 2 2105 197 197 ASP HB3 H 2.471 0.000 2 2106 197 197 ASP C C 175.356 0.000 1 2107 197 197 ASP CA C 53.435 0.000 1 2108 197 197 ASP CB C 43.185 0.000 1 2109 197 197 ASP N N 124.985 0.000 1 2110 198 198 HIS HA H 4.775 0.000 1 2111 198 198 HIS HB2 H 3.040 0.000 2 2112 198 198 HIS HB3 H 3.319 0.000 2 2113 198 198 HIS C C 174.513 0.000 1 2114 198 198 HIS CA C 55.372 0.000 1 2115 198 198 HIS CB C 29.623 0.000 1 2116 199 199 SER H H 8.165 0.000 1 2117 199 199 SER HA H 4.174 0.000 1 2118 199 199 SER HB2 H 3.888 0.000 2 2119 199 199 SER HB3 H 3.888 0.000 2 2120 199 199 SER C C 179.066 0.000 1 2121 199 199 SER CA C 60.684 0.000 1 2122 199 199 SER CB C 64.184 0.000 1 2123 199 199 SER N N 123.360 0.000 1 stop_ save_