data_26985 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of SmpB from Mycobacterium tuberculosis ; _BMRB_accession_number 26985 _BMRB_flat_file_name bmr26985.str _Entry_type original _Submission_date 2016-12-23 _Accession_date 2016-12-23 _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 Yang Juanjuan . . 2 Lin Donghai . . 3 Liu Yindi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 705 "13C chemical shifts" 502 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-26 original BMRB . stop_ _Original_release_date 2016-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain resonance assignments for the tmRNA-binding protein, SmpB, from Mycobacterium tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28258549 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Juanjuan . . 2 Liu Yindi . . 3 Liu Zhao . . 4 Meng Chun . . 5 Lin Donghai . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tmRNA-binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SmpB $SmpB 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_SmpB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SmpB _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSSRGGRQIVASNRKARHNY SIIEVFEAGVALQGTEVKSL REGQASLADSFATIDDGEVW LRNAHIPEYRHGSWTNHEPR RNRKLLLHRRQIDTLVGKIR EGNFALVPLSLYFAEGKVKV ELALARGKQAR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -17 MET 2 -16 GLY 3 -15 SER 4 -14 SER 5 -13 HIS 6 -12 HIS 7 -11 HIS 8 -10 HIS 9 -9 HIS 10 -8 HIS 11 -7 SER 12 -6 SER 13 -5 GLY 14 -4 LEU 15 -3 VAL 16 -2 PRO 17 -1 ARG 18 0 GLY 19 1 SER 20 2 HIS 21 3 MET 22 4 SER 23 5 SER 24 6 ARG 25 7 GLY 26 8 GLY 27 9 ARG 28 10 GLN 29 11 ILE 30 12 VAL 31 13 ALA 32 14 SER 33 15 ASN 34 16 ARG 35 17 LYS 36 18 ALA 37 19 ARG 38 20 HIS 39 21 ASN 40 22 TYR 41 23 SER 42 24 ILE 43 25 ILE 44 26 GLU 45 27 VAL 46 28 PHE 47 29 GLU 48 30 ALA 49 31 GLY 50 32 VAL 51 33 ALA 52 34 LEU 53 35 GLN 54 36 GLY 55 37 THR 56 38 GLU 57 39 VAL 58 40 LYS 59 41 SER 60 42 LEU 61 43 ARG 62 44 GLU 63 45 GLY 64 46 GLN 65 47 ALA 66 48 SER 67 49 LEU 68 50 ALA 69 51 ASP 70 52 SER 71 53 PHE 72 54 ALA 73 55 THR 74 56 ILE 75 57 ASP 76 58 ASP 77 59 GLY 78 60 GLU 79 61 VAL 80 62 TRP 81 63 LEU 82 64 ARG 83 65 ASN 84 66 ALA 85 67 HIS 86 68 ILE 87 69 PRO 88 70 GLU 89 71 TYR 90 72 ARG 91 73 HIS 92 74 GLY 93 75 SER 94 76 TRP 95 77 THR 96 78 ASN 97 79 HIS 98 80 GLU 99 81 PRO 100 82 ARG 101 83 ARG 102 84 ASN 103 85 ARG 104 86 LYS 105 87 LEU 106 88 LEU 107 89 LEU 108 90 HIS 109 91 ARG 110 92 ARG 111 93 GLN 112 94 ILE 113 95 ASP 114 96 THR 115 97 LEU 116 98 VAL 117 99 GLY 118 100 LYS 119 101 ILE 120 102 ARG 121 103 GLU 122 104 GLY 123 105 ASN 124 106 PHE 125 107 ALA 126 108 LEU 127 109 VAL 128 110 PRO 129 111 LEU 130 112 SER 131 113 LEU 132 114 TYR 133 115 PHE 134 116 ALA 135 117 GLU 136 118 GLY 137 119 LYS 138 120 VAL 139 121 LYS 140 122 VAL 141 123 GLU 142 124 LEU 143 125 ALA 144 126 LEU 145 127 ALA 146 128 ARG 147 129 GLY 148 130 LYS 149 131 GLN 150 132 ALA 151 133 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SmpB 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $SmpB 'recombinant technology' . Escherichia coli . pET-28(a) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SmpB 1.0 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 850 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal direct . . . 0.25144953 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 nitrogen ppm 0 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HCACO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D H(CCO)NH' 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 SmpB _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 4 22 SER H H 8.429 . . 2 4 22 SER HA H 4.95 . . 3 4 22 SER HB2 H 3.861 . . 4 4 22 SER HB3 H 3.861 . . 5 4 22 SER C C 172.1 . . 6 4 22 SER CA C 56.03 . . 7 4 22 SER CB C 61.311 . . 8 4 22 SER N N 117.277 . . 9 5 23 SER H H 8.537 . . 10 5 23 SER HA H 4.505 . . 11 5 23 SER HB2 H 3.875 . . 12 5 23 SER HB3 H 3.875 . . 13 5 23 SER C C 172.3 . . 14 5 23 SER CA C 56.082 . . 15 5 23 SER CB C 61.284 . . 16 5 23 SER N N 118.291 . . 17 6 24 ARG H H 8.425 . . 18 6 24 ARG HA H 4.3 . . 19 6 24 ARG HB2 H 1.821 . . 20 6 24 ARG HB3 H 1.855 . . 21 6 24 ARG HG2 H 1.908 . . 22 6 24 ARG HG3 H 1.908 . . 23 6 24 ARG HD2 H 3.294 . . 24 6 24 ARG HD3 H 3.294 . . 25 6 24 ARG C C 174.4 . . 26 6 24 ARG CA C 53.86 . . 27 6 24 ARG CB C 27.811 . . 28 6 24 ARG CG C 24.43 . . 29 6 24 ARG CD C 40.68 . . 30 6 24 ARG N N 122.582 . . 31 7 25 GLY H H 8.494 . . 32 7 25 GLY HA2 H 3.962 . . 33 7 25 GLY HA3 H 3.962 . . 34 7 25 GLY C C 172.1 . . 35 7 25 GLY CA C 42.95 . . 36 7 25 GLY N N 109.934 . . 37 8 26 GLY H H 8.287 . . 38 8 26 GLY HA2 H 3.976 . . 39 8 26 GLY HA3 H 3.976 . . 40 8 26 GLY C C 171.4 . . 41 8 26 GLY CA C 42.75 . . 42 8 26 GLY N N 108.525 . . 43 9 27 ARG H H 8.019 . . 44 9 27 ARG HA H 4.83 . . 45 9 27 ARG HB2 H 1.589 . . 46 9 27 ARG HB3 H 1.37 . . 47 9 27 ARG HG2 H 1.863 . . 48 9 27 ARG HG3 H 1.863 . . 49 9 27 ARG HD2 H 3.188 . . 50 9 27 ARG HD3 H 3.188 . . 51 9 27 ARG C C 173.2 . . 52 9 27 ARG CA C 53.21 . . 53 9 27 ARG CB C 29.525 . . 54 9 27 ARG CG C 23.91 . . 55 9 27 ARG CD C 40.55 . . 56 9 27 ARG N N 119.735 . . 57 10 28 GLN H H 8.854 . . 58 10 28 GLN HA H 4.739 . . 59 10 28 GLN HB2 H 2.191 . . 60 10 28 GLN HB3 H 2.191 . . 61 10 28 GLN HG2 H 2.249 . . 62 10 28 GLN HG3 H 2.249 . . 63 10 28 GLN HE21 H 7.689 . . 64 10 28 GLN HE22 H 7.689 . . 65 10 28 GLN C C 172.5 . . 66 10 28 GLN CA C 52.082 . . 67 10 28 GLN CB C 26.796 . . 68 10 28 GLN CG C 30.78 . . 69 10 28 GLN N N 123.585 . . 70 10 28 GLN NE2 N 112.8 . . 71 11 29 ILE H H 8.874 . . 72 11 29 ILE HA H 4.163 . . 73 11 29 ILE HB H 1.921 . . 74 11 29 ILE HG12 H 1.02 . . 75 11 29 ILE HG13 H 1.02 . . 76 11 29 ILE HG2 H 1.508 . . 77 11 29 ILE HD1 H 0.861 . . 78 11 29 ILE C C 174.2 . . 79 11 29 ILE CA C 60.14 . . 80 11 29 ILE CB C 35.133 . . 81 11 29 ILE CG1 C 25.4 . . 82 11 29 ILE CG2 C 15.03 . . 83 11 29 ILE CD1 C 14.87 . . 84 11 29 ILE N N 127.288 . . 85 12 30 VAL H H 8.855 . . 86 12 30 VAL HA H 4.626 . . 87 12 30 VAL HB H 2.286 . . 88 12 30 VAL HG1 H 0.973 . . 89 12 30 VAL HG2 H 0.773 . . 90 12 30 VAL C C 172.7 . . 91 12 30 VAL CA C 59.37 . . 92 12 30 VAL CB C 30.132 . . 93 12 30 VAL CG1 C 19.27 . . 94 12 30 VAL CG2 C 17.27 . . 95 12 30 VAL N N 122.142 . . 96 13 31 ALA H H 7.819 . . 97 13 31 ALA HA H 4.725 . . 98 13 31 ALA HB H 1.269 . . 99 13 31 ALA C C 172.6 . . 100 13 31 ALA CA C 49.95 . . 101 13 31 ALA CB C 19.461 . . 102 13 31 ALA N N 120.795 . . 103 14 32 SER H H 8.93 . . 104 14 32 SER HA H 4.491 . . 105 14 32 SER HB2 H 3.875 . . 106 14 32 SER HB3 H 3.875 . . 107 14 32 SER C C 170.6 . . 108 14 32 SER CA C 54.7 . . 109 14 32 SER CB C 62.985 . . 110 14 32 SER N N 115.094 . . 111 15 33 ASN H H 8.427 . . 112 15 33 ASN HA H 4.827 . . 113 15 33 ASN HB2 H 3.397 . . 114 15 33 ASN HB3 H 2.371 . . 115 15 33 ASN HD21 H 7.424 . . 116 15 33 ASN HD22 H 7.804 . . 117 15 33 ASN C C 172.8 . . 118 15 33 ASN CA C 48.28 . . 119 15 33 ASN CB C 35.45 . . 120 15 33 ASN N N 123.275 . . 121 15 33 ASN ND2 N 109.9 . . 122 16 34 ARG H H 8.678 . . 123 16 34 ARG HA H 4.108 . . 124 16 34 ARG HB2 H 1.944 . . 125 16 34 ARG HB3 H 1.944 . . 126 16 34 ARG HG2 H 1.781 . . 127 16 34 ARG HG3 H 1.781 . . 128 16 34 ARG HD2 H 3.916 . . 129 16 34 ARG HD3 H 3.916 . . 130 16 34 ARG C C 175.7 . . 131 16 34 ARG CA C 56.58 . . 132 16 34 ARG CB C 27.431 . . 133 16 34 ARG CG C 25.05 . . 134 16 34 ARG CD C 40.54 . . 135 16 34 ARG N N 124.57 . . 136 17 35 LYS H H 8.42 . . 137 17 35 LYS HA H 4.206 . . 138 17 35 LYS HB2 H 1.995 . . 139 17 35 LYS HB3 H 1.995 . . 140 17 35 LYS HG2 H 1.478 . . 141 17 35 LYS HG3 H 1.478 . . 142 17 35 LYS HD2 H 2.217 . . 143 17 35 LYS HD3 H 2.217 . . 144 17 35 LYS HE2 H 2.499 . . 145 17 35 LYS HE3 H 2.499 . . 146 17 35 LYS HZ H 7.3 . . 147 17 35 LYS C C 175.8 . . 148 17 35 LYS CA C 55.52 . . 149 17 35 LYS CB C 29.681 . . 150 17 35 LYS CG C 22.71 . . 151 17 35 LYS CD C 26.62 . . 152 17 35 LYS CE C 39.28 . . 153 17 35 LYS N N 117.996 . . 154 18 36 ALA H H 7.299 . . 155 18 36 ALA HA H 4.27 . . 156 18 36 ALA HB H 1.377 . . 157 18 36 ALA C C 176.4 . . 158 18 36 ALA CA C 52.81 . . 159 18 36 ALA CB C 16.433 . . 160 18 36 ALA N N 121.145 . . 161 19 37 ARG H H 7.815 . . 162 19 37 ARG HA H 4.207 . . 163 19 37 ARG HB2 H 1.853 . . 164 19 37 ARG HB3 H 1.853 . . 165 19 37 ARG HG2 H 1.784 . . 166 19 37 ARG HG3 H 1.784 . . 167 19 37 ARG HD2 H 3.24 . . 168 19 37 ARG HD3 H 3.24 . . 169 19 37 ARG C C 174.4 . . 170 19 37 ARG CA C 55.76 . . 171 19 37 ARG CB C 26.82 . . 172 19 37 ARG CG C 26.63 . . 173 19 37 ARG CD C 40.66 . . 174 19 37 ARG N N 112.72 . . 175 20 38 HIS H H 7.644 . . 176 20 38 HIS HA H 4.6 . . 177 20 38 HIS HB2 H 3.198 . . 178 20 38 HIS HB3 H 3.67 . . 179 20 38 HIS C C 173.5 . . 180 20 38 HIS CA C 54.84 . . 181 20 38 HIS CB C 27.623 . . 182 20 38 HIS N N 115.439 . . 183 21 39 ASN H H 7.697 . . 184 21 39 ASN HA H 4.682 . . 185 21 39 ASN HB2 H 2.49 . . 186 21 39 ASN HB3 H 2.49 . . 187 21 39 ASN HD21 H 7.085 . . 188 21 39 ASN C C 171.6 . . 189 21 39 ASN CA C 51.24 . . 190 21 39 ASN CB C 37.9 . . 191 21 39 ASN N N 114.989 . . 192 22 40 TYR H H 7.952 . . 193 22 40 TYR HA H 5.017 . . 194 22 40 TYR HB2 H 2.697 . . 195 22 40 TYR HB3 H 2.793 . . 196 22 40 TYR HD1 H 7.078 . . 197 22 40 TYR HD2 H 7.078 . . 198 22 40 TYR HE1 H 6.757 . . 199 22 40 TYR HE2 H 6.757 . . 200 22 40 TYR C C 172.3 . . 201 22 40 TYR CA C 55.01 . . 202 22 40 TYR CB C 39.19 . . 203 22 40 TYR N N 117.505 . . 204 23 41 SER H H 9.184 . . 205 23 41 SER HA H 4.691 . . 206 23 41 SER HB2 H 3.812 . . 207 23 41 SER HB3 H 3.812 . . 208 23 41 SER C C 171.4 . . 209 23 41 SER CA C 54.92 . . 210 23 41 SER CB C 61.041 . . 211 23 41 SER N N 116.183 . . 212 24 42 ILE H H 8.966 . . 213 24 42 ILE HA H 3.894 . . 214 24 42 ILE HB H 1.989 . . 215 24 42 ILE HG12 H 1.348 . . 216 24 42 ILE HG13 H 1.348 . . 217 24 42 ILE HG2 H 0.663 . . 218 24 42 ILE HD1 H 0.609 . . 219 24 42 ILE C C 173.1 . . 220 24 42 ILE CA C 58.62 . . 221 24 42 ILE CB C 33.92 . . 222 24 42 ILE CG1 C 15.3 . . 223 24 42 ILE CG2 C 24.78 . . 224 24 42 ILE CD1 C 8.594 . . 225 24 42 ILE N N 127.298 . . 226 25 43 ILE H H 8.997 . . 227 25 43 ILE HA H 4.128 . . 228 25 43 ILE HB H 1.664 . . 229 25 43 ILE HG12 H 1.353 . . 230 25 43 ILE HG13 H 1.353 . . 231 25 43 ILE HG2 H 0.892 . . 232 25 43 ILE HD1 H 0.677 . . 233 25 43 ILE C C 173.3 . . 234 25 43 ILE CA C 59.22 . . 235 25 43 ILE CB C 35.21 . . 236 25 43 ILE CG1 C 14.83 . . 237 25 43 ILE CG2 C 24.96 . . 238 25 43 ILE CD1 C 8.497 . . 239 25 43 ILE N N 129.296 . . 240 26 44 GLU H H 7.587 . . 241 26 44 GLU HA H 4.573 . . 242 26 44 GLU HB2 H 1.887 . . 243 26 44 GLU HB3 H 1.887 . . 244 26 44 GLU HG2 H 2.936 . . 245 26 44 GLU HG3 H 2.936 . . 246 26 44 GLU C C 170.9 . . 247 26 44 GLU CA C 53.1 . . 248 26 44 GLU CB C 30.97 . . 249 26 44 GLU CG C 33.54 . . 250 26 44 GLU N N 117.217 . . 251 27 45 VAL H H 8.388 . . 252 27 45 VAL HA H 5.029 . . 253 27 45 VAL HB H 1.793 . . 254 27 45 VAL HG1 H 0.775 . . 255 27 45 VAL HG2 H 0.732 . . 256 27 45 VAL C C 172.1 . . 257 27 45 VAL CA C 58.3 . . 258 27 45 VAL CB C 32.08 . . 259 27 45 VAL CG1 C 19.57 . . 260 27 45 VAL CG2 C 17.96 . . 261 27 45 VAL N N 119.984 . . 262 28 46 PHE H H 9.126 . . 263 28 46 PHE HA H 4.759 . . 264 28 46 PHE HB2 H 2.867 . . 265 28 46 PHE HB3 H 3.029 . . 266 28 46 PHE HD1 H 7.027 . . 267 28 46 PHE HD2 H 7.027 . . 268 28 46 PHE C C 170.5 . . 269 28 46 PHE CA C 53.61 . . 270 28 46 PHE CB C 38.801 . . 271 28 46 PHE N N 123.211 . . 272 29 47 GLU H H 8.641 . . 273 29 47 GLU HA H 5.117 . . 274 29 47 GLU HB2 H 1.994 . . 275 29 47 GLU HB3 H 2.07 . . 276 29 47 GLU HG2 H 2.231 . . 277 29 47 GLU HG3 H 2.231 . . 278 29 47 GLU C C 172.2 . . 279 29 47 GLU CA C 53.09 . . 280 29 47 GLU CB C 29.511 . . 281 29 47 GLU CG C 34.58 . . 282 29 47 GLU N N 121.357 . . 283 30 48 ALA H H 8.942 . . 284 30 48 ALA HA H 4.902 . . 285 30 48 ALA HB H 1.245 . . 286 30 48 ALA C C 174.2 . . 287 30 48 ALA CA C 47.74 . . 288 30 48 ALA CB C 20.802 . . 289 30 48 ALA N N 126.948 . . 290 31 49 GLY H H 8.487 . . 291 31 49 GLY HA2 H 3.807 . . 292 31 49 GLY HA3 H 3.807 . . 293 31 49 GLY C C 170.006 . . 294 31 49 GLY CA C 42.09 . . 295 31 49 GLY N N 106.264 . . 296 32 50 VAL H H 7.883 . . 297 32 50 VAL HA H 4.644 . . 298 32 50 VAL HB H 1.641 . . 299 32 50 VAL HG1 H 0.524 . . 300 32 50 VAL C C 170.5 . . 301 32 50 VAL CA C 57.59 . . 302 32 50 VAL CB C 31.24 . . 303 32 50 VAL CG1 C 18.39 . . 304 32 50 VAL CG2 C 17.01 . . 305 32 50 VAL N N 117.35 . . 306 33 51 ALA H H 8.452 . . 307 33 51 ALA HA H 4.509 . . 308 33 51 ALA HB H 1.319 . . 309 33 51 ALA C C 173.2 . . 310 33 51 ALA CA C 49.18 . . 311 33 51 ALA CB C 15.47 . . 312 33 51 ALA N N 131.621 . . 313 34 52 LEU H H 7.813 . . 314 34 52 LEU HA H 4.54 . . 315 34 52 LEU HB2 H 1.561 . . 316 34 52 LEU HB3 H 1.561 . . 317 34 52 LEU HG H 1.341 . . 318 34 52 LEU HD1 H 0.718 . . 319 34 52 LEU HD2 H 0.544 . . 320 34 52 LEU C C 174.4 . . 321 34 52 LEU CA C 50.6 . . 322 34 52 LEU CB C 41.97 . . 323 34 52 LEU CG C 24.67 . . 324 34 52 LEU CD1 C 23.45 . . 325 34 52 LEU CD2 C 20.28 . . 326 34 52 LEU N N 124.191 . . 327 35 53 GLN H H 9.382 . . 328 35 53 GLN HA H 4.562 . . 329 35 53 GLN HB2 H 2.402 . . 330 35 53 GLN HB3 H 2.402 . . 331 35 53 GLN HG2 H 2.622 . . 332 35 53 GLN HG3 H 2.622 . . 333 35 53 GLN HE21 H 7.132 . . 334 35 53 GLN HE22 H 7.132 . . 335 35 53 GLN C C 175.3 . . 336 35 53 GLN CA C 51.67 . . 337 35 53 GLN CB C 28.205 . . 338 35 53 GLN CG C 37.15 . . 339 35 53 GLN N N 119.849 . . 340 36 54 GLY H H 9.088 . . 341 36 54 GLY HA2 H 3.915 . . 342 36 54 GLY HA3 H 3.915 . . 343 36 54 GLY C C 174.3 . . 344 36 54 GLY CA C 45.54 . . 345 36 54 GLY N N 111.045 . . 346 37 55 THR H H 8.294 . . 347 37 55 THR HA H 4.79 . . 348 37 55 THR HB H 3.814 . . 349 37 55 THR HG2 H 1.36 . . 350 37 55 THR C C 174.312 . . 351 37 55 THR CA C 61.77 . . 352 37 55 THR CB C 67.52 . . 353 37 55 THR CG2 C 20.63 . . 354 37 55 THR N N 111.389 . . 355 38 56 GLU H H 7.177 . . 356 38 56 GLU HA H 3.666 . . 357 38 56 GLU HB2 H 2.217 . . 358 38 56 GLU HB3 H 2.217 . . 359 38 56 GLU HG2 H 2.48 . . 360 38 56 GLU HG3 H 2.48 . . 361 38 56 GLU C C 175.2 . . 362 38 56 GLU CA C 56.27 . . 363 38 56 GLU CB C 28.16 . . 364 38 56 GLU CG C 31.22 . . 365 38 56 GLU N N 120.981 . . 366 39 57 VAL H H 7.687 . . 367 39 57 VAL HA H 3.417 . . 368 39 57 VAL HB H 2.109 . . 369 39 57 VAL HG1 H 1.092 . . 370 39 57 VAL HG2 H 0.978 . . 371 39 57 VAL C C 174.981 . . 372 39 57 VAL CA C 64.99 . . 373 39 57 VAL CB C 29.08 . . 374 39 57 VAL CG1 C 20.56 . . 375 39 57 VAL CG2 C 18.63 . . 376 39 57 VAL N N 118.709 . . 377 40 58 LYS H H 7.518 . . 378 40 58 LYS HA H 3.764 . . 379 40 58 LYS HB2 H 1.113 . . 380 40 58 LYS HB3 H 1.113 . . 381 40 58 LYS HG2 H 1.084 . . 382 40 58 LYS HG3 H 1.084 . . 383 40 58 LYS HD2 H 2.116 . . 384 40 58 LYS HD3 H 2.116 . . 385 40 58 LYS HE2 H 3.404 . . 386 40 58 LYS HE3 H 3.404 . . 387 40 58 LYS HZ H 7.171 . . 388 40 58 LYS C C 176.7 . . 389 40 58 LYS CA C 57.23 . . 390 40 58 LYS CB C 28.79 . . 391 40 58 LYS CG C 22.78 . . 392 40 58 LYS CD C 29.95 . . 393 40 58 LYS CE C 39.17 . . 394 40 58 LYS N N 117.184 . . 395 41 59 SER H H 7.761 . . 396 41 59 SER HA H 4.74 . . 397 41 59 SER HB2 H 4.029 . . 398 41 59 SER HB3 H 3.977 . . 399 41 59 SER C C 175.1 . . 400 41 59 SER CA C 58.81 . . 401 41 59 SER CB C 61.27 . . 402 41 59 SER N N 114.452 . . 403 42 60 LEU H H 8.261 . . 404 42 60 LEU HA H 4.067 . . 405 42 60 LEU HB2 H 1.41 . . 406 42 60 LEU HB3 H 1.498 . . 407 42 60 LEU HG H 2.206 . . 408 42 60 LEU HD1 H 0.612 . . 409 42 60 LEU HD2 H 0.612 . . 410 42 60 LEU C C 176.6 . . 411 42 60 LEU CA C 55.3 . . 412 42 60 LEU CB C 39.3 . . 413 42 60 LEU CG C 27.54 . . 414 42 60 LEU CD1 C 22.46 . . 415 42 60 LEU CD2 C 22.46 . . 416 42 60 LEU N N 120.799 . . 417 43 61 ARG H H 7.129 . . 418 43 61 ARG HA H 4.051 . . 419 43 61 ARG HB2 H 1.955 . . 420 43 61 ARG HB3 H 1.955 . . 421 43 61 ARG HG2 H 1.565 . . 422 43 61 ARG HG3 H 1.565 . . 423 43 61 ARG HD2 H 3.144 . . 424 43 61 ARG HD3 H 3.144 . . 425 43 61 ARG C C 174.8 . . 426 43 61 ARG CA C 55.95 . . 427 43 61 ARG CB C 27.6 . . 428 43 61 ARG CG C 25.28 . . 429 43 61 ARG CD C 40.64 . . 430 43 61 ARG N N 112.429 . . 431 44 62 GLU H H 7.703 . . 432 44 62 GLU HA H 4.45 . . 433 44 62 GLU HB2 H 2.434 . . 434 44 62 GLU HB3 H 2.217 . . 435 44 62 GLU HG2 H 2.216 . . 436 44 62 GLU HG3 H 2.216 . . 437 44 62 GLU C C 174.9 . . 438 44 62 GLU CA C 54.2 . . 439 44 62 GLU CB C 27.393 . . 440 44 62 GLU CG C 34.07 . . 441 44 62 GLU N N 116.423 . . 442 45 63 GLY H H 7.942 . . 443 45 63 GLY HA2 H 4.156 . . 444 45 63 GLY HA3 H 4.156 . . 445 45 63 GLY C C 172 . . 446 45 63 GLY CA C 43.93 . . 447 45 63 GLY N N 107.11 . . 448 46 64 GLN H H 8.23 . . 449 46 64 GLN HA H 4.324 . . 450 46 64 GLN HB2 H 2.183 . . 451 46 64 GLN HB3 H 1.909 . . 452 46 64 GLN HG2 H 2.335 . . 453 46 64 GLN HG3 H 2.335 . . 454 46 64 GLN HE21 H 7.954 . . 455 46 64 GLN HE22 H 7.954 . . 456 46 64 GLN C C 172.2 . . 457 46 64 GLN CA C 52.36 . . 458 46 64 GLN CB C 26.581 . . 459 46 64 GLN CG C 30.88 . . 460 46 64 GLN N N 117.491 . . 461 47 65 ALA H H 8.156 . . 462 47 65 ALA HA H 4.792 . . 463 47 65 ALA HB H 1.344 . . 464 47 65 ALA C C 174 . . 465 47 65 ALA CA C 49.45 . . 466 47 65 ALA CB C 19.09 . . 467 47 65 ALA N N 121.624 . . 468 48 66 SER H H 9.06 . . 469 48 66 SER HA H 4.794 . . 470 48 66 SER HB2 H 3.871 . . 471 48 66 SER C C 171.9 . . 472 48 66 SER CA C 54.48 . . 473 48 66 SER CB C 62.803 . . 474 48 66 SER N N 111.017 . . 475 51 69 ASP H H 7.219 . . 476 51 69 ASP C C 175.4 . . 477 51 69 ASP N N 111.611 . . 478 52 70 SER H H 6.843 . . 479 52 70 SER HA H 4.664 . . 480 52 70 SER HB2 H 3.889 . . 481 52 70 SER HB3 H 3.889 . . 482 52 70 SER C C 170.9 . . 483 52 70 SER CA C 56.13 . . 484 52 70 SER CB C 63.269 . . 485 52 70 SER N N 112.532 . . 486 53 71 PHE H H 8.666 . . 487 53 71 PHE HA H 4.397 . . 488 53 71 PHE HB2 H 2.268 . . 489 53 71 PHE HB3 H 1.869 . . 490 53 71 PHE HD1 H 7.178 . . 491 53 71 PHE HD2 H 7.178 . . 492 53 71 PHE HE1 H 7.911 . . 493 53 71 PHE HE2 H 7.911 . . 494 53 71 PHE C C 168.9 . . 495 53 71 PHE CA C 53.82 . . 496 53 71 PHE CB C 37.289 . . 497 53 71 PHE N N 116.241 . . 498 54 72 ALA H H 8.507 . . 499 54 72 ALA HA H 6.023 . . 500 54 72 ALA HB H 1.076 . . 501 54 72 ALA C C 173 . . 502 54 72 ALA CA C 47.23 . . 503 54 72 ALA CB C 19.54 . . 504 54 72 ALA N N 122.134 . . 505 55 73 THR H H 8.742 . . 506 55 73 THR HA H 4.813 . . 507 55 73 THR HB H 4.467 . . 508 55 73 THR HG2 H 1.369 . . 509 55 73 THR C C 169.6 . . 510 55 73 THR CA C 57.3 . . 511 55 73 THR CB C 68.83 . . 512 55 73 THR CG2 C 19.92 . . 513 55 73 THR N N 110.706 . . 514 56 74 ILE H H 8.468 . . 515 56 74 ILE HA H 5.023 . . 516 56 74 ILE HB H 1.737 . . 517 56 74 ILE HG12 H 1.418 . . 518 56 74 ILE HG13 H 1.418 . . 519 56 74 ILE HG2 H 0.718 . . 520 56 74 ILE HD1 H 0.627 . . 521 56 74 ILE C C 173 . . 522 56 74 ILE CA C 58.15 . . 523 56 74 ILE CB C 35.39 . . 524 56 74 ILE CG1 C 24.95 . . 525 56 74 ILE CG2 C 14.21 . . 526 56 74 ILE CD1 C 12.15 . . 527 56 74 ILE N N 119.471 . . 528 57 75 ASP H H 9.273 . . 529 57 75 ASP HA H 5.095 . . 530 57 75 ASP HB2 H 2.52 . . 531 57 75 ASP HB3 H 2.52 . . 532 57 75 ASP C C 172.9 . . 533 57 75 ASP CA C 50.74 . . 534 57 75 ASP CB C 41.47 . . 535 57 75 ASP N N 126.86 . . 536 58 76 ASP H H 9.51 . . 537 58 76 ASP HA H 4.327 . . 538 58 76 ASP HB2 H 3.012 . . 539 58 76 ASP HB3 H 2.601 . . 540 58 76 ASP C C 173.4 . . 541 58 76 ASP CA C 52.78 . . 542 58 76 ASP CB C 37.272 . . 543 58 76 ASP N N 126.512 . . 544 59 77 GLY H H 8.486 . . 545 59 77 GLY HA2 H 4.094 . . 546 59 77 GLY HA3 H 3.384 . . 547 59 77 GLY C C 169.99 . . 548 59 77 GLY CA C 43.02 . . 549 59 77 GLY N N 102.838 . . 550 60 78 GLU H H 7.666 . . 551 60 78 GLU HA H 4.554 . . 552 60 78 GLU HB2 H 1.995 . . 553 60 78 GLU HB3 H 1.634 . . 554 60 78 GLU HG2 H 2.254 . . 555 60 78 GLU HG3 H 2.254 . . 556 60 78 GLU C C 170.5 . . 557 60 78 GLU CA C 51.57 . . 558 60 78 GLU CB C 30.13 . . 559 60 78 GLU CG C 33.83 . . 560 60 78 GLU N N 118.272 . . 561 61 79 VAL H H 9.047 . . 562 61 79 VAL HA H 4.835 . . 563 61 79 VAL HB H 1.756 . . 564 61 79 VAL HG1 H 0.688 . . 565 61 79 VAL HG2 H 0.688 . . 566 61 79 VAL C C 171.5 . . 567 61 79 VAL CA C 58.22 . . 568 61 79 VAL CB C 28.85 . . 569 61 79 VAL CG1 C 19.39 . . 570 61 79 VAL CG2 C 19.39 . . 571 61 79 VAL N N 122.404 . . 572 62 80 TRP H H 9.041 . . 573 62 80 TRP HA H 4.902 . . 574 62 80 TRP HB2 H 3.221 . . 575 62 80 TRP HB3 H 3.221 . . 576 62 80 TRP HD1 H 7.039 . . 577 62 80 TRP HE1 H 10.25 . . 578 62 80 TRP HE3 H 7.367 . . 579 62 80 TRP HZ2 H 7.685 . . 580 62 80 TRP C C 172.2 . . 581 62 80 TRP CA C 53.08 . . 582 62 80 TRP CB C 29.27 . . 583 62 80 TRP N N 125.658 . . 584 62 80 TRP NE1 N 129.6 . . 585 63 81 LEU H H 9.852 . . 586 63 81 LEU HA H 4.526 . . 587 63 81 LEU HB2 H 1.309 . . 588 63 81 LEU HB3 H 1.196 . . 589 63 81 LEU HG H 1.125 . . 590 63 81 LEU HD1 H 0.767 . . 591 63 81 LEU HD2 H 0.666 . . 592 63 81 LEU C C 173.3 . . 593 63 81 LEU CA C 51.56 . . 594 63 81 LEU CB C 40.489 . . 595 63 81 LEU CG C 23.89 . . 596 63 81 LEU CD1 C 22.21 . . 597 63 81 LEU CD2 C 19.91 . . 598 63 81 LEU N N 122.871 . . 599 64 82 ARG C C 175.7 . . 600 64 82 ARG CA C 51.12 . . 601 64 82 ARG CB C 36.28 . . 602 65 83 ASN H H 7.219 . . 603 65 83 ASN HA H 4.125 . . 604 65 83 ASN HB2 H 2.496 . . 605 65 83 ASN HB3 H 2.496 . . 606 65 83 ASN HD21 H 6.75 . . 607 65 83 ASN HD22 H 7.473 . . 608 65 83 ASN C C 172.2 . . 609 65 83 ASN CA C 51.13 . . 610 65 83 ASN CB C 36.38 . . 611 65 83 ASN N N 111.611 . . 612 65 83 ASN ND2 N 111.4 . . 613 66 84 ALA H H 8.12 . . 614 66 84 ALA HA H 4.258 . . 615 66 84 ALA HB H 1.725 . . 616 66 84 ALA HB H 1.519 . . 617 66 84 ALA C C 172.4 . . 618 66 84 ALA CA C 49.06 . . 619 66 84 ALA CB C 15.96 . . 620 66 84 ALA N N 119.14 . . 621 67 85 HIS H H 8.427 . . 622 67 85 HIS HA H 4.794 . . 623 67 85 HIS HB2 H 2.293 . . 624 67 85 HIS HB3 H 2.336 . . 625 67 85 HIS HD2 H 7.296 . . 626 67 85 HIS HE1 H 7.969 . . 627 67 85 HIS C C 171.9 . . 628 67 85 HIS CA C 53.07 . . 629 67 85 HIS CB C 30.85 . . 630 67 85 HIS N N 121.525 . . 631 68 86 ILE H H 7.966 . . 632 68 86 ILE HA H 4.483 . . 633 68 86 ILE HB H 1.995 . . 634 68 86 ILE HG12 H 1.569 . . 635 68 86 ILE HG13 H 1.569 . . 636 68 86 ILE HG2 H 1.369 . . 637 68 86 ILE HD1 H 0.789 . . 638 68 86 ILE C C 170.6 . . 639 68 86 ILE CA C 56.2 . . 640 68 86 ILE CB C 37.14 . . 641 68 86 ILE CG1 C 26.06 . . 642 68 86 ILE CG2 C 22.93 . . 643 68 86 ILE CD1 C 14.88 . . 644 68 86 ILE N N 125.575 . . 645 69 87 PRO C C 172.9 . . 646 69 87 PRO CA C 54.71 . . 647 69 87 PRO CB C 27.71 . . 648 70 88 GLU H H 8.768 . . 649 70 88 GLU HA H 4.632 . . 650 70 88 GLU HB2 H 1.369 . . 651 70 88 GLU HG2 H 2.851 . . 652 70 88 GLU HG3 H 2.851 . . 653 70 88 GLU C C 173.4 . . 654 70 88 GLU CA C 54.95 . . 655 70 88 GLU CB C 36.62 . . 656 70 88 GLU CG C 36.67 . . 657 70 88 GLU N N 124.461 . . 658 71 89 TYR H H 8.143 . . 659 71 89 TYR HA H 4.644 . . 660 71 89 TYR HB2 H 3.154 . . 661 71 89 TYR HB3 H 3.154 . . 662 71 89 TYR HE1 H 6.865 . . 663 71 89 TYR HE2 H 6.865 . . 664 71 89 TYR C C 172.5 . . 665 71 89 TYR CA C 53.44 . . 666 71 89 TYR CB C 27.32 . . 667 71 89 TYR N N 125.965 . . 668 72 90 ARG H H 8.301 . . 669 72 90 ARG HA H 4.786 . . 670 72 90 ARG HB2 H 1.96 . . 671 72 90 ARG HB3 H 2.444 . . 672 72 90 ARG HG2 H 1.578 . . 673 72 90 ARG HG3 H 1.578 . . 674 72 90 ARG HD2 H 2.485 . . 675 72 90 ARG HD3 H 2.485 . . 676 72 90 ARG C C 173.6 . . 677 72 90 ARG CA C 53.25 . . 678 72 90 ARG CB C 30.269 . . 679 72 90 ARG CG C 24.38 . . 680 72 90 ARG CD C 40.42 . . 681 72 90 ARG N N 121.515 . . 682 73 91 HIS H H 7.045 . . 683 73 91 HIS HA H 4.532 . . 684 73 91 HIS HB2 H 2.891 . . 685 73 91 HIS HB3 H 2.891 . . 686 73 91 HIS HE1 H 7.786 . . 687 73 91 HIS C C 172.4 . . 688 73 91 HIS CA C 52.8 . . 689 73 91 HIS CB C 26.06 . . 690 73 91 HIS N N 112.589 . . 691 74 92 GLY H H 8.196 . . 692 74 92 GLY HA2 H 3.738 . . 693 74 92 GLY HA3 H 3.884 . . 694 74 92 GLY C C 171 . . 695 74 92 GLY CA C 42.81 . . 696 74 92 GLY N N 110.124 . . 697 75 93 SER H H 7.914 . . 698 75 93 SER HA H 3.875 . . 699 75 93 SER HB2 H 3.724 . . 700 75 93 SER HB3 H 3.724 . . 701 75 93 SER C C 171.3 . . 702 75 93 SER CA C 55.105 . . 703 75 93 SER CB C 61.08 . . 704 75 93 SER N N 116.214 . . 705 76 94 TRP H H 8.034 . . 706 76 94 TRP HA H 4.78 . . 707 76 94 TRP HB2 H 3.401 . . 708 76 94 TRP HB3 H 3.268 . . 709 76 94 TRP HD1 H 7.228 . . 710 76 94 TRP HE1 H 10.26 . . 711 76 94 TRP HZ2 H 7.654 . . 712 76 94 TRP C C 173.7 . . 713 76 94 TRP CA C 54.35 . . 714 76 94 TRP CB C 27.094 . . 715 76 94 TRP N N 122.419 . . 716 76 94 TRP NE1 N 129.8 . . 717 77 95 THR H H 8.292 . . 718 77 95 THR HA H 4.376 . . 719 77 95 THR HB H 4.15 . . 720 77 95 THR HG2 H 1.186 . . 721 77 95 THR C C 171.3 . . 722 77 95 THR CA C 59.45 . . 723 77 95 THR CB C 67.09 . . 724 77 95 THR CG2 C 18.84 . . 725 77 95 THR N N 115.837 . . 726 78 96 ASN H H 8.628 . . 727 78 96 ASN HA H 4.798 . . 728 78 96 ASN HB2 H 2.7 . . 729 78 96 ASN HB3 H 2.7 . . 730 78 96 ASN HD21 H 7.516 . . 731 78 96 ASN HD22 H 6.875 . . 732 78 96 ASN C C 172.3 . . 733 78 96 ASN CA C 50.9 . . 734 78 96 ASN CB C 38.81 . . 735 78 96 ASN N N 123.477 . . 736 78 96 ASN ND2 N 111.3 . . 737 79 97 HIS H H 9.703 . . 738 79 97 HIS HA H 4.65 . . 739 79 97 HIS HB2 H 3.188 . . 740 79 97 HIS HB3 H 3.188 . . 741 79 97 HIS CA C 52.54 . . 742 79 97 HIS CB C 26.69 . . 743 79 97 HIS N N 118.639 . . 744 82 100 ARG C C 173.1 . . 745 82 100 ARG CA C 52.06 . . 746 82 100 ARG CB C 26.68 . . 747 83 101 ARG H H 7.258 . . 748 83 101 ARG HA H 4.204 . . 749 83 101 ARG HB2 H 1.848 . . 750 83 101 ARG HB3 H 1.848 . . 751 83 101 ARG HG2 H 1.951 . . 752 83 101 ARG HG3 H 1.951 . . 753 83 101 ARG HD2 H 3.196 . . 754 83 101 ARG HD3 H 3.196 . . 755 83 101 ARG C C 172.6 . . 756 83 101 ARG CA C 53.66 . . 757 83 101 ARG CB C 28.16 . . 758 83 101 ARG CG C 24.51 . . 759 83 101 ARG CD C 40.62 . . 760 83 101 ARG N N 120.446 . . 761 84 102 ASN H H 8.846 . . 762 84 102 ASN HA H 4.322 . . 763 84 102 ASN HB2 H 1.837 . . 764 84 102 ASN HB3 H 1.837 . . 765 84 102 ASN HD21 H 7.679 . . 766 84 102 ASN HD22 H 7.231 . . 767 84 102 ASN C C 173.1 . . 768 84 102 ASN CA C 51.17 . . 769 84 102 ASN CB C 35.97 . . 770 84 102 ASN N N 121.668 . . 771 84 102 ASN ND2 N 113.1 . . 772 85 103 ARG H H 8.513 . . 773 85 103 ARG HA H 5.103 . . 774 85 103 ARG HB2 H 1.621 . . 775 85 103 ARG HB3 H 1.621 . . 776 85 103 ARG HG2 H 1.396 . . 777 85 103 ARG HG3 H 1.396 . . 778 85 103 ARG HD2 H 3.878 . . 779 85 103 ARG HD3 H 3.878 . . 780 85 103 ARG C C 171 . . 781 85 103 ARG CA C 52.48 . . 782 85 103 ARG CB C 30.002 . . 783 85 103 ARG CG C 29.56 . . 784 85 103 ARG CD C 42.45 . . 785 85 103 ARG N N 121.358 . . 786 86 104 LYS H H 9.067 . . 787 86 104 LYS HA H 4.306 . . 788 86 104 LYS HB2 H 1.999 . . 789 86 104 LYS HB3 H 1.999 . . 790 86 104 LYS HG2 H 1.247 . . 791 86 104 LYS HG3 H 1.247 . . 792 86 104 LYS HD2 H 1.854 . . 793 86 104 LYS HD3 H 1.854 . . 794 86 104 LYS HE2 H 3.156 . . 795 86 104 LYS HE3 H 3.156 . . 796 86 104 LYS C C 172.4 . . 797 86 104 LYS CA C 54.71 . . 798 86 104 LYS CB C 30.09 . . 799 86 104 LYS CG C 21.98 . . 800 86 104 LYS CD C 26.23 . . 801 86 104 LYS CE C 40.71 . . 802 86 104 LYS N N 128.641 . . 803 87 105 LEU H H 8.344 . . 804 87 105 LEU HA H 4.902 . . 805 87 105 LEU HB2 H 1.875 . . 806 87 105 LEU HB3 H 0.965 . . 807 87 105 LEU HG H 1.564 . . 808 87 105 LEU HD1 H 0.645 . . 809 87 105 LEU HD2 H 0.645 . . 810 87 105 LEU C C 173.3 . . 811 87 105 LEU CA C 49.89 . . 812 87 105 LEU CB C 39.521 . . 813 87 105 LEU CG C 23.64 . . 814 87 105 LEU CD1 C 21.31 . . 815 87 105 LEU CD2 C 21.31 . . 816 87 105 LEU N N 123.274 . . 817 88 106 LEU H H 8.134 . . 818 88 106 LEU HA H 4.535 . . 819 88 106 LEU HB2 H 1.341 . . 820 88 106 LEU HB3 H 1.341 . . 821 88 106 LEU HG H 1.958 . . 822 88 106 LEU HD1 H 0.852 . . 823 88 106 LEU HD2 H 0.852 . . 824 88 106 LEU C C 173.1 . . 825 88 106 LEU CA C 50.92 . . 826 88 106 LEU CB C 38.469 . . 827 88 106 LEU CG C 24.11 . . 828 88 106 LEU CD1 C 22.34 . . 829 88 106 LEU CD2 C 22.34 . . 830 88 106 LEU N N 121.069 . . 831 89 107 LEU H H 7.77 . . 832 89 107 LEU HA H 4.677 . . 833 89 107 LEU HB2 H 1.594 . . 834 89 107 LEU HB3 H 1.297 . . 835 89 107 LEU HG H 1.664 . . 836 89 107 LEU HD1 H 0.586 . . 837 89 107 LEU HD2 H 0.586 . . 838 89 107 LEU C C 172.8 . . 839 89 107 LEU CA C 51.12 . . 840 89 107 LEU CB C 44.003 . . 841 89 107 LEU CG C 25.14 . . 842 89 107 LEU CD1 C 22.82 . . 843 89 107 LEU CD2 C 22.82 . . 844 89 107 LEU N N 125.224 . . 845 90 108 HIS H H 8.654 . . 846 90 108 HIS HA H 4.547 . . 847 90 108 HIS HB2 H 3.17 . . 848 90 108 HIS HB3 H 3.17 . . 849 90 108 HIS C C 174.5 . . 850 90 108 HIS CA C 54.44 . . 851 90 108 HIS CB C 28.48 . . 852 90 108 HIS N N 120.249 . . 853 91 109 ARG H H 9.025 . . 854 91 109 ARG HA H 3.888 . . 855 91 109 ARG HB2 H 1.955 . . 856 91 109 ARG HB3 H 1.955 . . 857 91 109 ARG HG2 H 1.672 . . 858 91 109 ARG HG3 H 1.672 . . 859 91 109 ARG HD2 H 3.249 . . 860 91 109 ARG HD3 H 3.249 . . 861 91 109 ARG C C 175.2 . . 862 91 109 ARG CA C 57.11 . . 863 91 109 ARG CB C 26.84 . . 864 91 109 ARG CG C 23.42 . . 865 91 109 ARG CD C 39.98 . . 866 91 109 ARG N N 127.53 . . 867 92 110 ARG H H 10.008 . . 868 92 110 ARG HA H 4.243 . . 869 92 110 ARG HB2 H 1.898 . . 870 92 110 ARG HB3 H 1.898 . . 871 92 110 ARG HG2 H 1.715 . . 872 92 110 ARG HG3 H 1.715 . . 873 92 110 ARG HD2 H 3.236 . . 874 92 110 ARG HD3 H 3.236 . . 875 92 110 ARG C C 177.1 . . 876 92 110 ARG CA C 56.71 . . 877 92 110 ARG CB C 27 . . 878 92 110 ARG CG C 24.87 . . 879 92 110 ARG CD C 40.57 . . 880 92 110 ARG N N 118.397 . . 881 93 111 GLN H H 7.344 . . 882 93 111 GLN HA H 4.161 . . 883 93 111 GLN HB2 H 2.491 . . 884 93 111 GLN HB3 H 1.826 . . 885 93 111 GLN HG2 H 2.486 . . 886 93 111 GLN HG3 H 2.486 . . 887 93 111 GLN C C 175.5 . . 888 93 111 GLN CA C 56.08 . . 889 93 111 GLN CB C 26.91 . . 890 93 111 GLN CG C 32.33 . . 891 93 111 GLN N N 117.697 . . 892 94 112 ILE H H 7.842 . . 893 94 112 ILE HA H 3.875 . . 894 94 112 ILE HB H 1.875 . . 895 94 112 ILE HG12 H 1.7 . . 896 94 112 ILE HG13 H 1.7 . . 897 94 112 ILE HG2 H 0.733 . . 898 94 112 ILE HD1 H 0.557 . . 899 94 112 ILE C C 174.5 . . 900 94 112 ILE CA C 63.9 . . 901 94 112 ILE CB C 35.08 . . 902 94 112 ILE CG1 C 27 . . 903 94 112 ILE CG2 C 14.34 . . 904 94 112 ILE N N 120.839 . . 905 95 113 ASP H H 8.45 . . 906 95 113 ASP HA H 4.318 . . 907 95 113 ASP HB2 H 2.673 . . 908 95 113 ASP HB3 H 2.673 . . 909 95 113 ASP C C 177.2 . . 910 95 113 ASP CA C 55.23 . . 911 95 113 ASP CB C 37.45 . . 912 95 113 ASP N N 118.675 . . 913 96 114 THR H H 7.669 . . 914 96 114 THR HA H 4.3 . . 915 96 114 THR HB H 3.96 . . 916 96 114 THR HG2 H 1.366 . . 917 96 114 THR C C 173.9 . . 918 96 114 THR CA C 63.83 . . 919 96 114 THR CB C 66.17 . . 920 96 114 THR CG2 C 18.9 . . 921 96 114 THR N N 116.858 . . 922 97 115 LEU H H 8.074 . . 923 97 115 LEU HA H 3.771 . . 924 97 115 LEU HB2 H 1.82 . . 925 97 115 LEU HB3 H 1.207 . . 926 97 115 LEU HG H 1.546 . . 927 97 115 LEU HD1 H 1.083 . . 928 97 115 LEU HD2 H 1.083 . . 929 97 115 LEU C C 175.5 . . 930 97 115 LEU CA C 55.97 . . 931 97 115 LEU CB C 39.81 . . 932 97 115 LEU CG C 23.64 . . 933 97 115 LEU CD1 C 21.77 . . 934 97 115 LEU CD2 C 21.77 . . 935 97 115 LEU N N 123.607 . . 936 98 116 VAL H H 8.744 . . 937 98 116 VAL HA H 3.505 . . 938 98 116 VAL HB H 2.136 . . 939 98 116 VAL HG1 H 0.849 . . 940 98 116 VAL HG2 H 0.926 . . 941 98 116 VAL C C 176.2 . . 942 98 116 VAL CA C 63.33 . . 943 98 116 VAL CB C 29.26 . . 944 98 116 VAL CG1 C 20.99 . . 945 98 116 VAL CG2 C 18.14 . . 946 98 116 VAL N N 118.964 . . 947 99 117 GLY H H 7.572 . . 948 99 117 GLY HA2 H 3.889 . . 949 99 117 GLY HA3 H 3.889 . . 950 99 117 GLY C C 173.5 . . 951 99 117 GLY CA C 44.49 . . 952 99 117 GLY N N 104.837 . . 953 100 118 LYS H H 7.802 . . 954 100 118 LYS HA H 4.231 . . 955 100 118 LYS HB2 H 1.595 . . 956 100 118 LYS HB3 H 1.595 . . 957 100 118 LYS HG2 H 1.293 . . 958 100 118 LYS HG3 H 1.293 . . 959 100 118 LYS HD2 H 1.797 . . 960 100 118 LYS HD3 H 1.797 . . 961 100 118 LYS HZ H 7.121 . . 962 100 118 LYS C C 176.7 . . 963 100 118 LYS CA C 56.2 . . 964 100 118 LYS CB C 30 . . 965 100 118 LYS CG C 22.92 . . 966 100 118 LYS CD C 30.02 . . 967 100 118 LYS N N 120.825 . . 968 101 119 ILE H H 8.595 . . 969 101 119 ILE HA H 3.923 . . 970 101 119 ILE HB H 2.048 . . 971 101 119 ILE HG12 H 1.655 . . 972 101 119 ILE HG13 H 1.655 . . 973 101 119 ILE HG2 H 1.038 . . 974 101 119 ILE HD1 H 0.827 . . 975 101 119 ILE C C 175.9 . . 976 101 119 ILE CA C 62.63 . . 977 101 119 ILE CB C 35.31 . . 978 101 119 ILE CG1 C 26.71 . . 979 101 119 ILE CG2 C 14.41 . . 980 101 119 ILE CD1 C 11.06 . . 981 101 119 ILE N N 118.28 . . 982 102 120 ARG H H 7.885 . . 983 102 120 ARG HA H 4.203 . . 984 102 120 ARG HB2 H 2.008 . . 985 102 120 ARG HB3 H 2.008 . . 986 102 120 ARG HG2 H 1.708 . . 987 102 120 ARG HG3 H 1.708 . . 988 102 120 ARG HD2 H 3.191 . . 989 102 120 ARG HD3 H 3.191 . . 990 102 120 ARG C C 175.2 . . 991 102 120 ARG CA C 56.16 . . 992 102 120 ARG CB C 27.66 . . 993 102 120 ARG CG C 24.79 . . 994 102 120 ARG CD C 41.01 . . 995 102 120 ARG N N 119.497 . . 996 103 121 GLU H H 7.902 . . 997 103 121 GLU HA H 4.231 . . 998 103 121 GLU HB2 H 2.226 . . 999 103 121 GLU HB3 H 2.226 . . 1000 103 121 GLU HG2 H 2.57 . . 1001 103 121 GLU HG3 H 2.57 . . 1002 103 121 GLU C C 175.2 . . 1003 103 121 GLU CA C 55.67 . . 1004 103 121 GLU CB C 27.59 . . 1005 103 121 GLU CG C 33.84 . . 1006 103 121 GLU N N 117.322 . . 1007 104 122 GLY H H 7.834 . . 1008 104 122 GLY HA2 H 4.011 . . 1009 104 122 GLY HA3 H 3.342 . . 1010 104 122 GLY C C 170.6 . . 1011 104 122 GLY CA C 42.35 . . 1012 104 122 GLY N N 104.706 . . 1013 105 123 ASN H H 8.133 . . 1014 105 123 ASN HA H 4.585 . . 1015 105 123 ASN HB2 H 2.911 . . 1016 105 123 ASN HB3 H 2.628 . . 1017 105 123 ASN HD21 H 6.719 . . 1018 105 123 ASN HD22 H 7.263 . . 1019 105 123 ASN C C 171.9 . . 1020 105 123 ASN CA C 51.11 . . 1021 105 123 ASN CB C 34.732 . . 1022 105 123 ASN N N 116.707 . . 1023 105 123 ASN ND2 N 114.1 . . 1024 106 124 PHE H H 7.43 . . 1025 106 124 PHE HA H 5.188 . . 1026 106 124 PHE HB2 H 3.38 . . 1027 106 124 PHE HB3 H 2.628 . . 1028 106 124 PHE HD1 H 7.134 . . 1029 106 124 PHE HD2 H 7.134 . . 1030 106 124 PHE HE1 H 7.001 . . 1031 106 124 PHE HE2 H 7.001 . . 1032 106 124 PHE C C 172.1 . . 1033 106 124 PHE CA C 54.55 . . 1034 106 124 PHE CB C 40.24 . . 1035 106 124 PHE N N 116.488 . . 1036 107 125 ALA H H 9.233 . . 1037 107 125 ALA HA H 4.704 . . 1038 107 125 ALA HB H 1.324 . . 1039 107 125 ALA C C 172.7 . . 1040 107 125 ALA CA C 48.11 . . 1041 107 125 ALA CB C 19.47 . . 1042 107 125 ALA N N 123.046 . . 1043 108 126 LEU H H 8.676 . . 1044 108 126 LEU HA H 5.411 . . 1045 108 126 LEU HB2 H 1.813 . . 1046 108 126 LEU HB3 H 1.285 . . 1047 108 126 LEU HG H 1.825 . . 1048 108 126 LEU HD1 H 0.921 . . 1049 108 126 LEU HD2 H 0.744 . . 1050 108 126 LEU C C 173.3 . . 1051 108 126 LEU CA C 50.54 . . 1052 108 126 LEU CB C 41.25 . . 1053 108 126 LEU CG C 24.09 . . 1054 108 126 LEU CD1 C 22.39 . . 1055 108 126 LEU CD2 C 22.39 . . 1056 108 126 LEU N N 121.329 . . 1057 109 127 VAL H H 8.988 . . 1058 109 127 VAL HA H 4.653 . . 1059 109 127 VAL HB H 1.301 . . 1060 109 127 VAL HG1 H 0.642 . . 1061 109 127 VAL HG2 H 0.577 . . 1062 109 127 VAL C C 171.2 . . 1063 109 127 VAL CA C 55.96 . . 1064 109 127 VAL CB C 33.3 . . 1065 109 127 VAL CG1 C 18.89 . . 1066 109 127 VAL CG2 C 17.77 . . 1067 109 127 VAL N N 122.924 . . 1068 110 128 PRO HA H 4.748 . . 1069 110 128 PRO HB2 H 1.875 . . 1070 110 128 PRO HB3 H 1.464 . . 1071 110 128 PRO C C 172.4 . . 1072 110 128 PRO CA C 59.03 . . 1073 110 128 PRO CB C 29.39 . . 1074 111 129 LEU H H 9.454 . . 1075 111 129 LEU HA H 4.53 . . 1076 111 129 LEU HB2 H 1.774 . . 1077 111 129 LEU HB3 H 1.485 . . 1078 111 129 LEU HG H 1.492 . . 1079 111 129 LEU HD1 H 0.791 . . 1080 111 129 LEU HD2 H 0.791 . . 1081 111 129 LEU C C 175.3 . . 1082 111 129 LEU CA C 53.51 . . 1083 111 129 LEU CB C 41.143 . . 1084 111 129 LEU CG C 23.45 . . 1085 111 129 LEU CD1 C 19.72 . . 1086 111 129 LEU CD2 C 19.72 . . 1087 111 129 LEU N N 122.778 . . 1088 112 130 SER H H 7.525 . . 1089 112 130 SER HA H 4.919 . . 1090 112 130 SER HB2 H 4.127 . . 1091 112 130 SER HB3 H 4.127 . . 1092 112 130 SER C C 169.4 . . 1093 112 130 SER CA C 56.01 . . 1094 112 130 SER CB C 62.72 . . 1095 112 130 SER N N 110.573 . . 1096 113 131 LEU H H 8.54 . . 1097 113 131 LEU HA H 5.324 . . 1098 113 131 LEU HB2 H 1.386 . . 1099 113 131 LEU HB3 H 1.386 . . 1100 113 131 LEU HG H 1.286 . . 1101 113 131 LEU HD1 H 0.597 . . 1102 113 131 LEU HD2 H 0.535 . . 1103 113 131 LEU C C 172.8 . . 1104 113 131 LEU CA C 51.19 . . 1105 113 131 LEU CB C 43.79 . . 1106 113 131 LEU CG C 24.44 . . 1107 113 131 LEU CD1 C 23.13 . . 1108 113 131 LEU CD2 C 22.52 . . 1109 113 131 LEU N N 120.592 . . 1110 114 132 TYR H H 8.831 . . 1111 114 132 TYR HA H 5.403 . . 1112 114 132 TYR HB2 H 2.958 . . 1113 114 132 TYR HB3 H 2.648 . . 1114 114 132 TYR HD1 H 6.567 . . 1115 114 132 TYR HD2 H 6.567 . . 1116 114 132 TYR C C 169.5 . . 1117 114 132 TYR CA C 52.74 . . 1118 114 132 TYR CB C 39.071 . . 1119 114 132 TYR N N 120.502 . . 1120 115 133 PHE H H 8.817 . . 1121 115 133 PHE HA H 5.296 . . 1122 115 133 PHE HB2 H 2.978 . . 1123 115 133 PHE HB3 H 2.978 . . 1124 115 133 PHE HD1 H 7.058 . . 1125 115 133 PHE HD2 H 7.058 . . 1126 115 133 PHE HE1 H 7.851 . . 1127 115 133 PHE HE2 H 7.851 . . 1128 115 133 PHE HZ H 6.973 . . 1129 115 133 PHE C C 174 . . 1130 115 133 PHE CA C 54.32 . . 1131 115 133 PHE CB C 39.19 . . 1132 115 133 PHE N N 117.145 . . 1133 116 134 ALA H H 9.226 . . 1134 116 134 ALA HA H 4.769 . . 1135 116 134 ALA HB H 1.46 . . 1136 116 134 ALA C C 174.2 . . 1137 116 134 ALA CA C 49.74 . . 1138 116 134 ALA CB C 19.01 . . 1139 116 134 ALA N N 124.74 . . 1140 117 135 GLU H H 9.472 . . 1141 117 135 GLU HA H 3.926 . . 1142 117 135 GLU HB2 H 2.175 . . 1143 117 135 GLU HB3 H 2.175 . . 1144 117 135 GLU HG2 H 2.255 . . 1145 117 135 GLU HG3 H 2.255 . . 1146 117 135 GLU C C 173.8 . . 1147 117 135 GLU CA C 54.41 . . 1148 117 135 GLU CB C 25.07 . . 1149 117 135 GLU CG C 34.1 . . 1150 117 135 GLU N N 122.828 . . 1151 118 136 GLY H H 8.751 . . 1152 118 136 GLY HA2 H 4.2 . . 1153 118 136 GLY HA3 H 3.669 . . 1154 118 136 GLY C C 171.3 . . 1155 118 136 GLY CA C 42.94 . . 1156 118 136 GLY N N 104.12 . . 1157 119 137 LYS H H 7.951 . . 1158 119 137 LYS HA H 3.901 . . 1159 119 137 LYS HB2 H 1.778 . . 1160 119 137 LYS HB3 H 1.523 . . 1161 119 137 LYS HG2 H 1.458 . . 1162 119 137 LYS HG3 H 1.458 . . 1163 119 137 LYS HD2 H 1.77 . . 1164 119 137 LYS HD3 H 1.77 . . 1165 119 137 LYS HE2 H 3.03 . . 1166 119 137 LYS HE3 H 3.03 . . 1167 119 137 LYS C C 171.9 . . 1168 119 137 LYS CA C 51.78 . . 1169 119 137 LYS CB C 32.65 . . 1170 119 137 LYS CG C 22.52 . . 1171 119 137 LYS CD C 30.64 . . 1172 119 137 LYS CE C 39.52 . . 1173 119 137 LYS N N 121.089 . . 1174 120 138 VAL H H 8.434 . . 1175 120 138 VAL HA H 3.971 . . 1176 120 138 VAL HB H 1.602 . . 1177 120 138 VAL HG1 H 0.904 . . 1178 120 138 VAL HG2 H 0.904 . . 1179 120 138 VAL C C 172.1 . . 1180 120 138 VAL CA C 59.79 . . 1181 120 138 VAL CB C 28.459 . . 1182 120 138 VAL CG1 C 19.22 . . 1183 120 138 VAL CG2 C 19.22 . . 1184 120 138 VAL N N 121.147 . . 1185 121 139 LYS H H 8.828 . . 1186 121 139 LYS HA H 4.863 . . 1187 121 139 LYS HB2 H 0.485 . . 1188 121 139 LYS HB3 H 0.485 . . 1189 121 139 LYS HG2 H 1.04 . . 1190 121 139 LYS HG3 H 1.04 . . 1191 121 139 LYS HD2 H 1.542 . . 1192 121 139 LYS HD3 H 1.542 . . 1193 121 139 LYS HE2 H 3.028 . . 1194 121 139 LYS HE3 H 3.028 . . 1195 121 139 LYS C C 171.1 . . 1196 121 139 LYS CA C 50.35 . . 1197 121 139 LYS CB C 33.2 . . 1198 121 139 LYS CG C 22.14 . . 1199 121 139 LYS CD C 26.59 . . 1200 121 139 LYS CE C 39.98 . . 1201 121 139 LYS N N 126.222 . . 1202 122 140 VAL H H 8.783 . . 1203 122 140 VAL HA H 4.881 . . 1204 122 140 VAL HB H 1.627 . . 1205 122 140 VAL HG1 H 0.772 . . 1206 122 140 VAL HG2 H 0.772 . . 1207 122 140 VAL C C 171.7 . . 1208 122 140 VAL CA C 55.91 . . 1209 122 140 VAL CB C 33.171 . . 1210 122 140 VAL CG1 C 18.6 . . 1211 122 140 VAL CG2 C 18.6 . . 1212 122 140 VAL N N 116.594 . . 1213 123 141 GLU H H 8.204 . . 1214 123 141 GLU HA H 4.824 . . 1215 123 141 GLU HB2 H 2.06 . . 1216 123 141 GLU HB3 H 2.06 . . 1217 123 141 GLU HG2 H 2.206 . . 1218 123 141 GLU HG3 H 2.206 . . 1219 123 141 GLU C C 171.8 . . 1220 123 141 GLU CA C 52.45 . . 1221 123 141 GLU CB C 29.24 . . 1222 123 141 GLU CG C 34.76 . . 1223 123 141 GLU N N 126.437 . . 1224 124 142 LEU H H 9.189 . . 1225 124 142 LEU HA H 4.601 . . 1226 124 142 LEU HB2 H 0.865 . . 1227 124 142 LEU HB3 H 0.865 . . 1228 124 142 LEU HG H 1.357 . . 1229 124 142 LEU HD1 H 0.854 . . 1230 124 142 LEU HD2 H 0.854 . . 1231 124 142 LEU C C 170.9 . . 1232 124 142 LEU CA C 50.74 . . 1233 124 142 LEU CB C 42.88 . . 1234 124 142 LEU CG C 24.11 . . 1235 124 142 LEU CD1 C 22.05 . . 1236 124 142 LEU CD2 C 22.05 . . 1237 124 142 LEU N N 129.736 . . 1238 125 143 ALA H H 8.834 . . 1239 125 143 ALA HA H 5.37 . . 1240 125 143 ALA HB H 1.294 . . 1241 125 143 ALA C C 174.8 . . 1242 125 143 ALA CA C 47.23 . . 1243 125 143 ALA CB C 19.39 . . 1244 125 143 ALA N N 123.557 . . 1245 126 144 LEU H H 8.758 . . 1246 126 144 LEU HA H 4.917 . . 1247 126 144 LEU HB2 H 1.51 . . 1248 126 144 LEU HB3 H 1.264 . . 1249 126 144 LEU HG H 1.264 . . 1250 126 144 LEU HD1 H 0.724 . . 1251 126 144 LEU HD2 H 0.626 . . 1252 126 144 LEU C C 172.9 . . 1253 126 144 LEU CA C 52.26 . . 1254 126 144 LEU CB C 40.48 . . 1255 126 144 LEU CG C 24.58 . . 1256 126 144 LEU CD1 C 22.87 . . 1257 126 144 LEU CD2 C 20.87 . . 1258 126 144 LEU N N 122.548 . . 1259 127 145 ALA H H 9.373 . . 1260 127 145 ALA HA H 5.42 . . 1261 127 145 ALA HB H 1.107 . . 1262 127 145 ALA C C 172.4 . . 1263 127 145 ALA CA C 48.24 . . 1264 127 145 ALA CB C 21.88 . . 1265 127 145 ALA N N 130.66 . . 1266 128 146 ARG H H 8.853 . . 1267 128 146 ARG HA H 5.099 . . 1268 128 146 ARG HB2 H 1.845 . . 1269 128 146 ARG HB3 H 1.845 . . 1270 128 146 ARG HG2 H 1.795 . . 1271 128 146 ARG HG3 H 1.795 . . 1272 128 146 ARG HD2 H 3.221 . . 1273 128 146 ARG HD3 H 3.221 . . 1274 128 146 ARG C C 173.8 . . 1275 128 146 ARG CA C 52.13 . . 1276 128 146 ARG CB C 31.052 . . 1277 128 146 ARG CG C 24.8 . . 1278 128 146 ARG CD C 40.95 . . 1279 128 146 ARG N N 118.975 . . 1280 129 147 GLY H H 9.219 . . 1281 129 147 GLY HA2 H 4.022 . . 1282 129 147 GLY HA3 H 3.815 . . 1283 129 147 GLY C C 171.2 . . 1284 129 147 GLY CA C 43.36 . . 1285 129 147 GLY N N 113.514 . . 1286 130 148 LYS H H 7.99 . . 1287 130 148 LYS HA H 4.286 . . 1288 130 148 LYS HB2 H 1.73 . . 1289 130 148 LYS HB3 H 1.523 . . 1290 130 148 LYS HG2 H 1.284 . . 1291 130 148 LYS HG3 H 1.284 . . 1292 130 148 LYS HD2 H 1.757 . . 1293 130 148 LYS HD3 H 1.757 . . 1294 130 148 LYS HE2 H 3.194 . . 1295 130 148 LYS HE3 H 3.194 . . 1296 130 148 LYS HZ H 7.218 . . 1297 130 148 LYS C C 173.8 . . 1298 130 148 LYS CA C 54.23 . . 1299 130 148 LYS CB C 30.78 . . 1300 130 148 LYS CG C 22.48 . . 1301 130 148 LYS CD C 30.81 . . 1302 130 148 LYS CE C 39.52 . . 1303 130 148 LYS N N 122.678 . . 1304 131 149 GLN H H 8.418 . . 1305 131 149 GLN HA H 4.309 . . 1306 131 149 GLN HB2 H 2.325 . . 1307 131 149 GLN HB3 H 2.02 . . 1308 131 149 GLN HG2 H 2.024 . . 1309 131 149 GLN HG3 H 2.024 . . 1310 131 149 GLN HE21 H 6.711 . . 1311 131 149 GLN HE22 H 6.711 . . 1312 131 149 GLN C C 172.8 . . 1313 131 149 GLN CA C 53.13 . . 1314 131 149 GLN CB C 26.85 . . 1315 131 149 GLN CG C 31.16 . . 1316 131 149 GLN N N 121.175 . . 1317 132 150 ALA H H 8.324 . . 1318 132 150 ALA HA H 4.302 . . 1319 132 150 ALA HB H 1.366 . . 1320 132 150 ALA C C 174 . . 1321 132 150 ALA CA C 49.95 . . 1322 132 150 ALA CB C 16.57 . . 1323 132 150 ALA N N 126.677 . . 1324 133 151 ARG H H 7.931 . . 1325 133 151 ARG HA H 4.291 . . 1326 133 151 ARG HB2 H 1.701 . . 1327 133 151 ARG HB3 H 1.701 . . 1328 133 151 ARG HG2 H 1.857 . . 1329 133 151 ARG HG3 H 1.857 . . 1330 133 151 ARG HD2 H 3.144 . . 1331 133 151 ARG HD3 H 3.144 . . 1332 133 151 ARG C C 178.3 . . 1333 133 151 ARG CA C 54.82 . . 1334 133 151 ARG CB C 28.91 . . 1335 133 151 ARG CG C 28.86 . . 1336 133 151 ARG CD C 40.71 . . 1337 133 151 ARG N N 125.704 . . stop_ save_