data_28014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments of RimP from E. coli ; _BMRB_accession_number 28014 _BMRB_flat_file_name bmr28014.str _Entry_type original _Submission_date 2019-09-11 _Accession_date 2019-09-11 _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 Schedlbauer Andreas . . 2 Kaminishi Tatsuya . . 3 Iturrioz Idoia . . 4 'Ochoa Lizarralde' Borja . . 5 Gil-Carton David . . 6 'de Astigarraga' Elisa . . 7 Diercks Tammo . . 8 Fucini Paola . . 9 Connell Sean . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 783 "13C chemical shifts" 619 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-14 original BMRB . stop_ _Original_release_date 2019-09-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural of Ribosomal States associated with late stage assembly factors ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schedlbauer Andreas . . 2 Kaminishi Tatsuya . . 3 Iturrioz Idoia . . 4 'Ochoa Lizarralde' Borja . . 5 Gil-Carton David . . 6 'de Astigarraga' Elisa . . 7 Lopez-Alonso Jorge Pedro . 8 Diercks Tammo . . 9 Fucini Paola . . 10 Connell Sean . . stop_ _Journal_abbreviation 'Not known' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RimP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RimP $RimP 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_RimP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RimP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MSTLEQKLTEMITAPVEALG FELVGIEFIRGRTSTLRIYI DSEDGINVDDCADVSHQVSA VLDVEDPITVAYNLEVSSPG LDRPLFTAEHYARFVGEEVT LVLRMAVQNRRKWQGVIKAV DGEMITVTVEGKDEVFALSN IQKANLVPHFA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 THR 4 LEU 5 GLU 6 GLN 7 LYS 8 LEU 9 THR 10 GLU 11 MET 12 ILE 13 THR 14 ALA 15 PRO 16 VAL 17 GLU 18 ALA 19 LEU 20 GLY 21 PHE 22 GLU 23 LEU 24 VAL 25 GLY 26 ILE 27 GLU 28 PHE 29 ILE 30 ARG 31 GLY 32 ARG 33 THR 34 SER 35 THR 36 LEU 37 ARG 38 ILE 39 TYR 40 ILE 41 ASP 42 SER 43 GLU 44 ASP 45 GLY 46 ILE 47 ASN 48 VAL 49 ASP 50 ASP 51 CYS 52 ALA 53 ASP 54 VAL 55 SER 56 HIS 57 GLN 58 VAL 59 SER 60 ALA 61 VAL 62 LEU 63 ASP 64 VAL 65 GLU 66 ASP 67 PRO 68 ILE 69 THR 70 VAL 71 ALA 72 TYR 73 ASN 74 LEU 75 GLU 76 VAL 77 SER 78 SER 79 PRO 80 GLY 81 LEU 82 ASP 83 ARG 84 PRO 85 LEU 86 PHE 87 THR 88 ALA 89 GLU 90 HIS 91 TYR 92 ALA 93 ARG 94 PHE 95 VAL 96 GLY 97 GLU 98 GLU 99 VAL 100 THR 101 LEU 102 VAL 103 LEU 104 ARG 105 MET 106 ALA 107 VAL 108 GLN 109 ASN 110 ARG 111 ARG 112 LYS 113 TRP 114 GLN 115 GLY 116 VAL 117 ILE 118 LYS 119 ALA 120 VAL 121 ASP 122 GLY 123 GLU 124 MET 125 ILE 126 THR 127 VAL 128 THR 129 VAL 130 GLU 131 GLY 132 LYS 133 ASP 134 GLU 135 VAL 136 PHE 137 ALA 138 LEU 139 SER 140 ASN 141 ILE 142 GLN 143 LYS 144 ALA 145 ASN 146 LEU 147 VAL 148 PRO 149 HIS 150 PHE 151 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RimP '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 $RimP 'recombinant technology' . Escherichia coli . p7XNH3 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 $RimP 600 uM '[U-98% 13C; U-98% 15N]' HEPES 10 mM 'natural abundance' MgCl2 6 mM 'natural abundance' NH4Cl 30 mM 'natural abundance' TCEP 75 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_ccpnmr _Saveframe_category software _Name ccpnmr _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' 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_15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N TROSY' _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CNH_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CNH NOESY' _Sample_label $sample_1 save_ save_3D_HNH_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNH NOESY' _Sample_label $sample_1 save_ save_3D_HCH_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCH NOESY' _Sample_label $sample_1 save_ save_3D_HNCAHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCAHA' _Sample_label $sample_1 save_ save_3D_HN(CO)CAHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CAHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.6 . 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 0.00 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 15N TROSY' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D CNH NOESY' '3D HNH NOESY' '3D HCH NOESY' '3D HNCAHA' '3D HN(CO)CAHA' 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 RimP _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 4 LEU HA H 3.956 0.004 1 2 4 4 LEU HB2 H 1.524 0.002 2 3 4 4 LEU HB3 H 1.477 0.006 2 4 4 4 LEU HG H 1.081 0.003 1 5 4 4 LEU HD1 H 0.312 0.005 2 6 4 4 LEU HD2 H 0.558 0.003 2 7 4 4 LEU C C 178.322 0.000 1 8 4 4 LEU CA C 58.162 0.042 1 9 4 4 LEU CB C 41.456 0.041 1 10 4 4 LEU CG C 27.051 0.119 1 11 4 4 LEU CD1 C 25.215 0.092 2 12 4 4 LEU CD2 C 22.764 0.025 2 13 5 5 GLU H H 9.124 0.005 1 14 5 5 GLU HA H 3.566 0.007 1 15 5 5 GLU HB2 H 2.106 0.011 2 16 5 5 GLU HB3 H 1.902 0.006 2 17 5 5 GLU HG2 H 2.446 0.004 2 18 5 5 GLU HG3 H 2.050 0.003 2 19 5 5 GLU C C 179.705 0.002 1 20 5 5 GLU CA C 61.508 0.060 1 21 5 5 GLU CB C 28.694 0.045 1 22 5 5 GLU CG C 38.199 0.047 1 23 5 5 GLU N N 117.704 0.072 1 24 6 6 GLN H H 8.184 0.011 1 25 6 6 GLN HA H 3.950 0.014 1 26 6 6 GLN HB2 H 2.156 0.010 2 27 6 6 GLN HB3 H 2.030 0.007 2 28 6 6 GLN HG2 H 2.356 0.003 2 29 6 6 GLN HG3 H 2.350 0.002 2 30 6 6 GLN HE21 H 7.550 0.003 1 31 6 6 GLN HE22 H 6.816 0.042 1 32 6 6 GLN C C 178.321 0.011 1 33 6 6 GLN CA C 59.232 0.107 1 34 6 6 GLN CB C 28.364 0.084 1 35 6 6 GLN CG C 33.894 0.028 1 36 6 6 GLN CD C 180.071 0.000 1 37 6 6 GLN N N 121.763 0.055 1 38 6 6 GLN NE2 N 112.080 0.025 1 39 7 7 LYS H H 8.005 0.005 1 40 7 7 LYS HA H 3.978 0.004 1 41 7 7 LYS HB2 H 1.829 0.002 2 42 7 7 LYS HB3 H 1.830 0.004 2 43 7 7 LYS HG2 H 1.373 0.006 2 44 7 7 LYS HG3 H 1.299 0.005 2 45 7 7 LYS HD2 H 1.558 0.017 2 46 7 7 LYS HD3 H 1.566 0.000 2 47 7 7 LYS HE2 H 2.804 0.003 2 48 7 7 LYS HE3 H 2.804 0.000 2 49 7 7 LYS C C 179.415 0.000 1 50 7 7 LYS CA C 59.055 0.057 1 51 7 7 LYS CB C 32.002 0.041 1 52 7 7 LYS CG C 24.744 0.062 1 53 7 7 LYS CD C 29.073 0.052 1 54 7 7 LYS CE C 41.982 0.061 1 55 7 7 LYS N N 121.621 0.045 1 56 8 8 LEU H H 8.592 0.004 1 57 8 8 LEU HA H 3.861 0.003 1 58 8 8 LEU HB2 H 1.792 0.000 2 59 8 8 LEU HB3 H 1.017 0.008 2 60 8 8 LEU HG H 0.440 0.003 1 61 8 8 LEU HD1 H 0.570 0.022 1 62 8 8 LEU C C 178.565 0.006 1 63 8 8 LEU CA C 57.610 0.057 1 64 8 8 LEU CB C 42.400 0.067 1 65 8 8 LEU CG C 26.123 0.057 1 66 8 8 LEU CD1 C 22.853 0.039 1 67 8 8 LEU N N 117.886 0.080 1 68 9 9 THR H H 8.119 0.003 1 69 9 9 THR HA H 3.442 0.002 1 70 9 9 THR HB H 4.265 0.004 1 71 9 9 THR HG2 H 1.008 0.006 1 72 9 9 THR C C 176.873 0.000 1 73 9 9 THR CA C 68.237 0.032 1 74 9 9 THR CB C 68.314 0.054 1 75 9 9 THR CG2 C 20.912 0.028 1 76 9 9 THR N N 116.608 0.062 1 77 10 10 GLU H H 7.847 0.003 1 78 10 10 GLU HA H 3.976 0.006 1 79 10 10 GLU HB2 H 2.063 0.005 2 80 10 10 GLU HB3 H 2.359 0.000 2 81 10 10 GLU HG2 H 2.359 0.000 1 82 10 10 GLU HG3 H 2.361 0.003 1 83 10 10 GLU C C 178.500 0.004 1 84 10 10 GLU CA C 59.475 0.033 1 85 10 10 GLU CB C 29.396 0.052 1 86 10 10 GLU CG C 36.187 0.043 1 87 10 10 GLU N N 122.636 0.067 1 88 11 11 MET H H 7.745 0.004 1 89 11 11 MET HA H 4.148 0.007 1 90 11 11 MET HB2 H 2.075 0.003 2 91 11 11 MET HB3 H 1.986 0.014 2 92 11 11 MET HG2 H 2.612 0.006 2 93 11 11 MET HG3 H 2.475 0.003 2 94 11 11 MET HE H 1.929 0.005 1 95 11 11 MET C C 177.526 0.012 1 96 11 11 MET CA C 58.382 0.044 1 97 11 11 MET CB C 34.626 0.038 1 98 11 11 MET CG C 31.587 0.044 1 99 11 11 MET CE C 16.911 0.025 1 100 11 11 MET N N 116.892 0.075 1 101 12 12 ILE H H 8.012 0.004 1 102 12 12 ILE HA H 3.917 0.013 1 103 12 12 ILE HB H 1.825 0.006 1 104 12 12 ILE HG12 H 1.566 0.004 2 105 12 12 ILE HG13 H 1.027 0.000 2 106 12 12 ILE HG2 H 0.818 0.003 1 107 12 12 ILE HD1 H 0.676 0.004 1 108 12 12 ILE C C 175.493 0.016 1 109 12 12 ILE CA C 62.471 0.124 1 110 12 12 ILE CB C 38.851 0.067 1 111 12 12 ILE CG1 C 29.228 0.111 1 112 12 12 ILE CG2 C 18.438 0.068 1 113 12 12 ILE CD1 C 14.825 0.023 1 114 12 12 ILE N N 114.015 0.094 1 115 13 13 THR H H 7.626 0.004 1 116 13 13 THR HA H 3.627 0.002 1 117 13 13 THR HB H 4.112 0.001 1 118 13 13 THR HG2 H 1.089 0.005 1 119 13 13 THR C C 174.614 0.000 1 120 13 13 THR CA C 69.071 0.020 1 121 13 13 THR CB C 69.071 0.040 1 122 13 13 THR CG2 C 20.799 0.069 1 123 13 13 THR N N 117.700 0.036 1 124 14 14 ALA H H 8.011 0.005 1 125 14 14 ALA HA H 4.328 0.002 1 126 14 14 ALA HB H 1.402 0.003 1 127 14 14 ALA C C 177.822 0.000 1 128 14 14 ALA CA C 56.733 0.058 1 129 14 14 ALA CB C 15.225 0.048 1 130 14 14 ALA N N 120.167 0.062 1 131 15 15 PRO HA H 4.318 0.003 1 132 15 15 PRO HB2 H 2.227 0.016 2 133 15 15 PRO HB3 H 1.529 0.001 2 134 15 15 PRO HG2 H 2.242 0.000 2 135 15 15 PRO HG3 H 1.910 0.006 2 136 15 15 PRO HD2 H 3.858 0.012 2 137 15 15 PRO HD3 H 3.455 0.004 2 138 15 15 PRO C C 178.496 0.000 1 139 15 15 PRO CA C 65.473 0.042 1 140 15 15 PRO CB C 30.818 0.072 1 141 15 15 PRO CG C 27.960 0.064 1 142 15 15 PRO CD C 49.786 0.057 1 143 16 16 VAL H H 7.159 0.004 1 144 16 16 VAL HA H 3.535 0.004 1 145 16 16 VAL HB H 2.182 0.001 1 146 16 16 VAL HG1 H 0.893 0.003 2 147 16 16 VAL HG2 H 0.787 0.007 2 148 16 16 VAL C C 177.872 0.000 1 149 16 16 VAL CA C 67.735 0.052 1 150 16 16 VAL CB C 32.101 0.112 1 151 16 16 VAL CG1 C 24.383 0.048 2 152 16 16 VAL CG2 C 22.941 0.035 2 153 16 16 VAL N N 116.203 0.072 1 154 17 17 GLU H H 8.564 0.004 1 155 17 17 GLU HA H 4.591 0.006 1 156 17 17 GLU HB2 H 1.863 0.037 2 157 17 17 GLU HB3 H 2.663 0.000 2 158 17 17 GLU HG2 H 2.670 0.010 2 159 17 17 GLU HG3 H 2.371 0.000 2 160 17 17 GLU C C 181.957 0.000 1 161 17 17 GLU CA C 58.936 0.041 1 162 17 17 GLU CB C 28.871 0.093 1 163 17 17 GLU CG C 37.066 0.057 1 164 17 17 GLU N N 118.826 0.046 1 165 18 18 ALA H H 8.460 0.011 1 166 18 18 ALA HA H 4.077 0.007 1 167 18 18 ALA HB H 1.406 0.004 1 168 18 18 ALA C C 179.420 0.000 1 169 18 18 ALA CA C 54.526 0.075 1 170 18 18 ALA CB C 17.872 0.042 1 171 18 18 ALA N N 123.255 0.096 1 172 19 19 LEU H H 7.092 0.014 1 173 19 19 LEU HA H 4.164 0.007 1 174 19 19 LEU HB2 H 1.930 0.005 2 175 19 19 LEU HB3 H 1.683 0.013 2 176 19 19 LEU HG H 0.895 0.002 1 177 19 19 LEU HD1 H 0.850 0.018 1 178 19 19 LEU C C 176.197 0.000 1 179 19 19 LEU CA C 54.703 0.049 1 180 19 19 LEU CB C 42.914 0.046 1 181 19 19 LEU CG C 26.436 0.033 1 182 19 19 LEU CD1 C 22.723 0.062 1 183 19 19 LEU N N 116.569 0.075 1 184 20 20 GLY H H 7.785 0.004 1 185 20 20 GLY HA2 H 3.815 0.010 2 186 20 20 GLY HA3 H 3.499 0.008 2 187 20 20 GLY C C 173.720 0.019 1 188 20 20 GLY CA C 44.692 0.024 1 189 20 20 GLY N N 105.107 0.030 1 190 21 21 PHE H H 6.980 0.005 1 191 21 21 PHE HA H 4.953 0.005 1 192 21 21 PHE HB2 H 2.749 0.000 2 193 21 21 PHE HB3 H 2.609 0.000 2 194 21 21 PHE HD1 H 6.890 0.039 1 195 21 21 PHE HD2 H 6.890 0.039 1 196 21 21 PHE C C 173.871 0.018 1 197 21 21 PHE CA C 55.868 0.034 1 198 21 21 PHE CB C 41.250 0.134 1 199 21 21 PHE N N 118.124 0.088 1 200 22 22 GLU H H 8.706 0.003 1 201 22 22 GLU HA H 4.495 0.006 1 202 22 22 GLU HB2 H 1.785 0.000 2 203 22 22 GLU HB3 H 1.778 0.000 2 204 22 22 GLU HG2 H 1.775 0.001 2 205 22 22 GLU HG3 H 1.767 0.000 2 206 22 22 GLU C C 176.382 0.015 1 207 22 22 GLU CA C 54.348 0.061 1 208 22 22 GLU CB C 31.931 0.044 1 209 22 22 GLU CG C 35.576 0.059 1 210 22 22 GLU N N 119.835 0.064 1 211 23 23 LEU H H 9.238 0.004 1 212 23 23 LEU HA H 4.598 0.011 1 213 23 23 LEU HG H 1.252 0.009 1 214 23 23 LEU HD1 H 0.791 0.005 2 215 23 23 LEU HD2 H 0.804 0.001 2 216 23 23 LEU C C 175.771 0.000 1 217 23 23 LEU CA C 54.179 0.130 1 218 23 23 LEU CB C 41.347 0.033 1 219 23 23 LEU CG C 27.613 0.031 1 220 23 23 LEU CD1 C 24.378 0.065 2 221 23 23 LEU CD2 C 27.552 0.083 2 222 23 23 LEU N N 126.909 0.038 1 223 24 24 VAL H H 8.908 0.005 1 224 24 24 VAL HA H 3.899 0.005 1 225 24 24 VAL HB H 1.786 0.006 1 226 24 24 VAL HG1 H 0.727 0.005 2 227 24 24 VAL HG2 H 0.749 0.008 2 228 24 24 VAL C C 175.664 0.000 1 229 24 24 VAL CA C 65.167 0.042 1 230 24 24 VAL CB C 31.690 0.071 1 231 24 24 VAL CG1 C 22.540 0.064 2 232 24 24 VAL CG2 C 20.853 0.058 2 233 24 24 VAL N N 131.699 0.041 1 234 25 25 GLY H H 7.156 0.009 1 235 25 25 GLY HA2 H 2.914 0.007 2 236 25 25 GLY HA3 H 3.398 0.009 2 237 25 25 GLY C C 170.002 0.000 1 238 25 25 GLY CA C 44.548 0.035 1 239 25 25 GLY N N 101.361 0.064 1 240 26 26 ILE H H 7.406 0.008 1 241 26 26 ILE HA H 5.126 0.005 1 242 26 26 ILE HB H 1.522 0.006 1 243 26 26 ILE HG12 H 1.257 0.009 2 244 26 26 ILE HG13 H 0.880 0.018 2 245 26 26 ILE HG2 H 0.657 0.005 1 246 26 26 ILE HD1 H 0.652 0.005 1 247 26 26 ILE C C 173.831 0.000 1 248 26 26 ILE CA C 58.536 0.029 1 249 26 26 ILE CB C 41.879 0.107 1 250 26 26 ILE CG1 C 27.096 0.054 1 251 26 26 ILE CG2 C 18.818 0.057 1 252 26 26 ILE CD1 C 15.383 0.058 1 253 26 26 ILE N N 115.216 0.074 1 254 27 27 GLU H H 9.066 0.004 1 255 27 27 GLU HA H 4.711 0.009 1 256 27 27 GLU HB2 H 2.079 0.006 2 257 27 27 GLU HB3 H 2.014 0.003 2 258 27 27 GLU HG2 H 2.339 0.008 2 259 27 27 GLU HG3 H 2.247 0.008 2 260 27 27 GLU C C 173.562 0.011 1 261 27 27 GLU CA C 54.974 0.048 1 262 27 27 GLU CB C 34.556 0.058 1 263 27 27 GLU CG C 36.755 0.024 1 264 27 27 GLU N N 122.165 0.037 1 265 28 28 PHE H H 9.473 0.003 1 266 28 28 PHE HA H 5.347 0.009 1 267 28 28 PHE HB2 H 3.031 0.000 2 268 28 28 PHE HB3 H 2.339 0.005 2 269 28 28 PHE HD1 H 6.877 0.003 1 270 28 28 PHE HD2 H 6.877 0.003 1 271 28 28 PHE HE1 H 6.776 0.002 1 272 28 28 PHE HE2 H 6.776 0.002 1 273 28 28 PHE C C 174.046 0.008 1 274 28 28 PHE CA C 56.232 0.080 1 275 28 28 PHE CB C 40.169 0.066 1 276 28 28 PHE N N 126.534 0.053 1 277 29 29 ILE H H 8.909 0.004 1 278 29 29 ILE HA H 3.978 0.005 1 279 29 29 ILE HB H 1.661 0.007 1 280 29 29 ILE HG12 H 1.273 0.003 2 281 29 29 ILE HG13 H 1.041 0.003 2 282 29 29 ILE HG2 H 0.738 0.005 1 283 29 29 ILE HD1 H 0.660 0.005 1 284 29 29 ILE C C 175.256 0.005 1 285 29 29 ILE CA C 60.075 0.042 1 286 29 29 ILE CB C 38.709 0.083 1 287 29 29 ILE CG1 C 27.245 0.031 1 288 29 29 ILE CG2 C 17.735 0.041 1 289 29 29 ILE CD1 C 12.994 0.080 1 290 29 29 ILE N N 129.999 0.067 1 291 30 30 ARG H H 8.395 0.006 1 292 30 30 ARG HA H 4.204 0.003 1 293 30 30 ARG HB2 H 1.670 0.002 2 294 30 30 ARG HB3 H 1.555 0.017 2 295 30 30 ARG HG2 H 1.546 0.022 2 296 30 30 ARG HG3 H 1.431 0.003 2 297 30 30 ARG HD2 H 3.117 0.001 2 298 30 30 ARG HD3 H 3.052 0.002 2 299 30 30 ARG C C 176.277 0.000 1 300 30 30 ARG CA C 55.404 0.044 1 301 30 30 ARG CB C 30.483 0.033 1 302 30 30 ARG CG C 27.675 0.034 1 303 30 30 ARG CD C 43.020 0.037 1 304 30 30 ARG N N 127.596 0.044 1 305 31 31 GLY H H 7.697 0.005 1 306 31 31 GLY HA2 H 3.734 0.006 2 307 31 31 GLY HA3 H 4.016 0.001 2 308 31 31 GLY C C 172.539 0.000 1 309 31 31 GLY CA C 44.691 0.044 1 310 31 31 GLY N N 111.736 0.084 1 311 32 32 ARG HA H 3.918 0.004 1 312 32 32 ARG HB2 H 1.760 0.002 1 313 32 32 ARG HG2 H 1.644 0.003 2 314 32 32 ARG HG3 H 1.557 0.001 2 315 32 32 ARG HD2 H 3.135 0.002 1 316 32 32 ARG C C 179.789 0.000 1 317 32 32 ARG CA C 60.313 0.054 1 318 32 32 ARG CB C 29.146 0.017 1 319 32 32 ARG CG C 27.273 0.051 1 320 32 32 ARG CD C 43.157 0.014 1 321 33 33 THR H H 7.567 0.005 1 322 33 33 THR HA H 4.146 0.005 1 323 33 33 THR HB H 3.793 0.003 1 324 33 33 THR HG2 H 0.978 0.004 1 325 33 33 THR C C 174.462 0.009 1 326 33 33 THR CA C 62.489 0.030 1 327 33 33 THR CB C 69.510 0.068 1 328 33 33 THR CG2 C 21.476 0.029 1 329 33 33 THR N N 111.208 0.087 1 330 34 34 SER H H 8.328 0.003 1 331 34 34 SER HA H 4.731 0.004 1 332 34 34 SER HB2 H 3.735 0.008 2 333 34 34 SER HB3 H 3.383 0.007 2 334 34 34 SER C C 172.505 0.003 1 335 34 34 SER CA C 59.487 0.029 1 336 34 34 SER CB C 64.764 0.062 1 337 34 34 SER N N 122.910 0.077 1 338 35 35 THR H H 8.689 0.004 1 339 35 35 THR HA H 4.919 0.010 1 340 35 35 THR HB H 3.626 0.008 1 341 35 35 THR HG2 H 0.908 0.002 1 342 35 35 THR C C 171.829 0.000 1 343 35 35 THR CA C 61.815 0.042 1 344 35 35 THR CB C 72.124 0.077 1 345 35 35 THR CG2 C 21.366 0.043 1 346 35 35 THR N N 118.725 0.090 1 347 36 36 LEU H H 9.061 0.005 1 348 36 36 LEU HA H 4.895 0.005 1 349 36 36 LEU HB2 H 1.976 0.019 2 350 36 36 LEU HB3 H 0.975 0.009 2 351 36 36 LEU HG H 1.278 0.009 1 352 36 36 LEU HD1 H 0.580 0.004 2 353 36 36 LEU HD2 H 0.639 0.005 2 354 36 36 LEU C C 171.804 0.000 1 355 36 36 LEU CA C 53.595 0.106 1 356 36 36 LEU CB C 43.353 0.070 1 357 36 36 LEU CG C 27.505 0.132 1 358 36 36 LEU CD1 C 24.358 0.036 1 359 36 36 LEU CD2 C 24.419 0.007 1 360 36 36 LEU N N 129.198 0.089 1 361 37 37 ARG H H 9.235 0.007 1 362 37 37 ARG HA H 5.030 0.011 1 363 37 37 ARG HB2 H 1.530 0.002 2 364 37 37 ARG HB3 H 1.445 0.005 2 365 37 37 ARG HG2 H 1.100 0.001 2 366 37 37 ARG HG3 H 0.897 0.014 2 367 37 37 ARG HD2 H 2.974 0.004 2 368 37 37 ARG HD3 H 2.894 0.002 2 369 37 37 ARG C C 173.941 0.006 1 370 37 37 ARG CA C 54.585 0.038 1 371 37 37 ARG CB C 31.915 0.050 1 372 37 37 ARG CG C 27.710 0.045 1 373 37 37 ARG CD C 43.481 0.029 1 374 37 37 ARG N N 128.436 0.089 1 375 38 38 ILE H H 8.504 0.008 1 376 38 38 ILE HA H 4.230 0.006 1 377 38 38 ILE HB H 1.703 0.005 1 378 38 38 ILE HG12 H 1.353 0.003 2 379 38 38 ILE HG13 H 0.918 0.007 2 380 38 38 ILE HG2 H 0.595 0.007 1 381 38 38 ILE HD1 H 0.669 0.004 1 382 38 38 ILE C C 173.918 0.000 1 383 38 38 ILE CA C 59.527 0.045 1 384 38 38 ILE CB C 39.886 0.050 1 385 38 38 ILE CG1 C 27.404 0.079 1 386 38 38 ILE CG2 C 17.408 0.030 1 387 38 38 ILE CD1 C 14.816 0.051 1 388 38 38 ILE N N 124.300 0.063 1 389 39 39 TYR H H 8.579 0.004 1 390 39 39 TYR HA H 5.459 0.011 1 391 39 39 TYR HB2 H 2.762 0.013 2 392 39 39 TYR HB3 H 2.318 0.004 2 393 39 39 TYR C C 175.731 0.000 1 394 39 39 TYR CA C 56.118 0.036 1 395 39 39 TYR CB C 40.173 0.048 1 396 39 39 TYR N N 124.112 0.080 1 397 40 40 ILE H H 8.589 0.005 1 398 40 40 ILE HA H 5.504 0.004 1 399 40 40 ILE HB H 1.618 0.004 1 400 40 40 ILE HG12 H 0.642 0.034 2 401 40 40 ILE HG13 H 1.032 0.020 2 402 40 40 ILE HG2 H 0.733 0.006 1 403 40 40 ILE HD1 H 0.100 0.004 1 404 40 40 ILE C C 172.843 0.000 1 405 40 40 ILE CA C 58.692 0.029 1 406 40 40 ILE CB C 42.605 0.040 1 407 40 40 ILE CG1 C 24.128 0.093 1 408 40 40 ILE CG2 C 19.049 0.061 1 409 40 40 ILE CD1 C 14.484 0.089 1 410 40 40 ILE N N 117.558 0.097 1 411 41 41 ASP H H 8.634 0.006 1 412 41 41 ASP HA H 5.088 0.005 1 413 41 41 ASP HB2 H 2.533 0.004 2 414 41 41 ASP HB3 H 2.157 0.004 2 415 41 41 ASP C C 174.765 0.000 1 416 41 41 ASP CA C 51.991 0.057 1 417 41 41 ASP CB C 45.332 0.026 1 418 41 41 ASP N N 115.841 0.086 1 419 42 42 SER H H 8.674 0.009 1 420 42 42 SER HA H 4.760 0.007 1 421 42 42 SER HB2 H 4.230 0.003 2 422 42 42 SER HB3 H 3.622 0.008 2 423 42 42 SER C C 175.656 0.000 1 424 42 42 SER CA C 57.512 0.036 1 425 42 42 SER CB C 65.468 0.019 1 426 42 42 SER N N 112.764 0.139 1 427 43 43 GLU HA H 4.082 0.007 1 428 43 43 GLU HB2 H 1.976 0.004 2 429 43 43 GLU HB3 H 1.966 0.000 2 430 43 43 GLU HG2 H 2.236 0.000 2 431 43 43 GLU HG3 H 2.228 0.000 2 432 43 43 GLU C C 177.130 0.000 1 433 43 43 GLU CA C 59.137 0.118 1 434 43 43 GLU CB C 29.372 0.031 1 435 43 43 GLU CG C 36.151 0.049 1 436 44 44 ASP H H 8.180 0.003 1 437 44 44 ASP HA H 4.712 0.008 1 438 44 44 ASP HB2 H 2.801 0.001 2 439 44 44 ASP HB3 H 2.456 0.002 2 440 44 44 ASP C C 176.376 0.008 1 441 44 44 ASP CA C 54.383 0.067 1 442 44 44 ASP CB C 41.638 0.018 1 443 44 44 ASP N N 117.013 0.064 1 444 45 45 GLY H H 7.462 0.005 1 445 45 45 GLY HA2 H 4.292 0.008 2 446 45 45 GLY HA3 H 3.749 0.007 2 447 45 45 GLY C C 171.885 0.000 1 448 45 45 GLY CA C 44.203 0.017 1 449 45 45 GLY N N 132.504 0.068 1 450 46 46 ILE H H 8.193 0.004 1 451 46 46 ILE HA H 4.586 0.008 1 452 46 46 ILE HB H 1.821 0.005 1 453 46 46 ILE HG12 H 1.468 0.006 2 454 46 46 ILE HG13 H 1.231 0.006 2 455 46 46 ILE HG2 H 0.610 0.010 1 456 46 46 ILE HD1 H 0.331 0.004 1 457 46 46 ILE C C 175.884 0.010 1 458 46 46 ILE CA C 57.509 0.049 1 459 46 46 ILE CB C 38.926 0.092 1 460 46 46 ILE CG1 C 26.581 0.052 1 461 46 46 ILE CG2 C 18.816 0.059 1 462 46 46 ILE CD1 C 10.947 0.061 1 463 46 46 ILE N N 120.612 0.162 1 464 47 47 ASN H H 9.464 0.005 1 465 47 47 ASN HA H 5.088 0.007 1 466 47 47 ASN HB2 H 3.134 0.003 2 467 47 47 ASN HB3 H 2.765 0.002 2 468 47 47 ASN C C 176.579 0.000 1 469 47 47 ASN CA C 50.964 0.025 1 470 47 47 ASN CB C 41.288 0.044 1 471 47 47 ASN N N 127.144 0.107 1 472 48 48 VAL H H 8.206 0.007 1 473 48 48 VAL HA H 3.769 0.006 1 474 48 48 VAL HB H 2.063 0.001 1 475 48 48 VAL HG1 H 0.959 0.003 1 476 48 48 VAL C C 178.211 0.000 1 477 48 48 VAL CA C 66.026 0.064 1 478 48 48 VAL CB C 31.763 0.037 1 479 48 48 VAL CG1 C 20.859 0.043 1 480 48 48 VAL N N 116.945 0.040 1 481 49 49 ASP H H 8.003 0.008 1 482 49 49 ASP HA H 4.389 0.004 1 483 49 49 ASP HB2 H 2.689 0.002 2 484 49 49 ASP HB3 H 2.671 0.003 2 485 49 49 ASP C C 178.091 0.000 1 486 49 49 ASP CA C 57.230 0.046 1 487 49 49 ASP CB C 39.833 0.061 1 488 49 49 ASP N N 122.625 0.103 1 489 50 50 ASP H H 7.859 0.008 1 490 50 50 ASP HA H 4.330 0.004 1 491 50 50 ASP HB2 H 2.347 0.002 1 492 50 50 ASP C C 178.163 0.000 1 493 50 50 ASP CA C 57.482 0.038 1 494 50 50 ASP CB C 41.602 0.065 1 495 50 50 ASP N N 121.294 0.092 1 496 51 51 CYS H H 7.346 0.005 1 497 51 51 CYS HA H 3.620 0.006 1 498 51 51 CYS HB2 H 3.042 0.026 2 499 51 51 CYS HB3 H 2.503 0.003 2 500 51 51 CYS C C 176.668 0.000 1 501 51 51 CYS CA C 63.341 0.049 1 502 51 51 CYS CB C 26.440 0.036 1 503 51 51 CYS N N 115.335 0.074 1 504 52 52 ALA H H 7.727 0.005 1 505 52 52 ALA HA H 4.015 0.007 1 506 52 52 ALA HB H 1.457 0.007 1 507 52 52 ALA C C 179.948 0.000 1 508 52 52 ALA CA C 55.011 0.053 1 509 52 52 ALA CB C 17.958 0.056 1 510 52 52 ALA N N 123.673 0.068 1 511 53 53 ASP H H 8.350 0.003 1 512 53 53 ASP HA H 4.443 0.004 1 513 53 53 ASP HB2 H 2.678 0.003 1 514 53 53 ASP C C 179.752 0.010 1 515 53 53 ASP CA C 57.602 0.037 1 516 53 53 ASP CB C 40.094 0.078 1 517 53 53 ASP N N 121.095 0.024 1 518 54 54 VAL H H 8.182 0.009 1 519 54 54 VAL HA H 3.420 0.008 1 520 54 54 VAL HB H 1.974 0.006 1 521 54 54 VAL HG1 H 0.932 0.012 2 522 54 54 VAL HG2 H 0.755 0.004 2 523 54 54 VAL C C 177.370 0.002 1 524 54 54 VAL CA C 67.005 0.133 1 525 54 54 VAL CB C 31.318 0.032 1 526 54 54 VAL CG1 C 25.324 0.058 2 527 54 54 VAL CG2 C 22.865 0.092 2 528 54 54 VAL N N 119.633 0.154 1 529 55 55 SER H H 8.469 0.004 1 530 55 55 SER HA H 3.735 0.009 1 531 55 55 SER HB2 H 3.616 0.003 2 532 55 55 SER HB3 H 3.610 0.001 2 533 55 55 SER C C 176.795 0.000 1 534 55 55 SER CA C 62.503 0.059 1 535 55 55 SER CB C 62.553 0.038 1 536 55 55 SER N N 115.632 0.035 1 537 56 56 HIS H H 8.083 0.003 1 538 56 56 HIS HA H 4.297 0.009 1 539 56 56 HIS HB2 H 3.255 0.001 1 540 56 56 HIS C C 178.050 0.041 1 541 56 56 HIS CA C 59.582 0.042 1 542 56 56 HIS CB C 30.033 0.053 1 543 56 56 HIS N N 119.224 0.060 1 544 57 57 GLN H H 7.841 0.004 1 545 57 57 GLN HA H 4.108 0.009 1 546 57 57 GLN HB2 H 2.131 0.002 2 547 57 57 GLN HB3 H 2.031 0.003 2 548 57 57 GLN HG2 H 2.549 0.003 2 549 57 57 GLN HG3 H 2.411 0.003 2 550 57 57 GLN HE21 H 7.602 0.002 1 551 57 57 GLN HE22 H 6.909 0.002 1 552 57 57 GLN C C 178.929 0.019 1 553 57 57 GLN CA C 58.212 0.035 1 554 57 57 GLN CB C 28.588 0.053 1 555 57 57 GLN CG C 33.145 0.041 1 556 57 57 GLN CD C 178.999 0.000 1 557 57 57 GLN N N 118.165 0.056 1 558 57 57 GLN NE2 N 112.740 0.016 1 559 58 58 VAL H H 8.957 0.003 1 560 58 58 VAL HA H 3.456 0.005 1 561 58 58 VAL HB H 2.028 0.002 1 562 58 58 VAL HG1 H 0.890 0.003 2 563 58 58 VAL HG2 H 0.810 0.012 2 564 58 58 VAL C C 177.705 0.005 1 565 58 58 VAL CA C 66.917 0.066 1 566 58 58 VAL CB C 31.132 0.061 1 567 58 58 VAL CG1 C 24.284 0.058 2 568 58 58 VAL CG2 C 22.234 0.046 2 569 58 58 VAL N N 118.950 0.103 1 570 59 59 SER H H 8.449 0.003 1 571 59 59 SER HA H 3.990 0.006 1 572 59 59 SER HB2 H 3.835 0.002 2 573 59 59 SER HB3 H 3.913 0.020 2 574 59 59 SER C C 175.581 0.000 1 575 59 59 SER CA C 62.571 0.114 1 576 59 59 SER CB C 62.712 0.000 1 577 59 59 SER N N 116.203 0.044 1 578 60 60 ALA H H 7.225 0.005 1 579 60 60 ALA HA H 4.086 0.006 1 580 60 60 ALA HB H 1.362 0.003 1 581 60 60 ALA C C 180.514 0.006 1 582 60 60 ALA CA C 54.886 0.075 1 583 60 60 ALA CB C 17.856 0.059 1 584 60 60 ALA N N 121.537 0.103 1 585 61 61 VAL H H 7.312 0.005 1 586 61 61 VAL HA H 3.781 0.006 1 587 61 61 VAL HB H 2.214 0.004 1 588 61 61 VAL HG1 H 1.054 0.003 2 589 61 61 VAL HG2 H 0.894 0.006 2 590 61 61 VAL C C 178.419 0.009 1 591 61 61 VAL CA C 65.663 0.040 1 592 61 61 VAL CB C 32.119 0.029 1 593 61 61 VAL CG1 C 22.393 0.029 2 594 61 61 VAL CG2 C 21.126 0.029 2 595 61 61 VAL N N 118.299 0.062 1 596 62 62 LEU H H 8.128 0.004 1 597 62 62 LEU HA H 4.093 0.007 1 598 62 62 LEU HB2 H 1.771 0.002 2 599 62 62 LEU HB3 H 1.397 0.031 2 600 62 62 LEU HG H 0.736 0.001 1 601 62 62 LEU HD1 H 0.676 0.006 1 602 62 62 LEU C C 178.452 0.017 1 603 62 62 LEU CA C 57.083 0.046 1 604 62 62 LEU CB C 40.877 0.133 1 605 62 62 LEU CG C 26.017 0.039 1 606 62 62 LEU CD1 C 22.421 0.020 2 607 62 62 LEU CD2 C 22.500 0.083 2 608 62 62 LEU N N 120.189 0.065 1 609 63 63 ASP H H 7.996 0.003 1 610 63 63 ASP HA H 4.378 0.004 1 611 63 63 ASP HB2 H 2.699 0.004 2 612 63 63 ASP HB3 H 2.531 0.002 2 613 63 63 ASP C C 177.719 0.015 1 614 63 63 ASP CA C 56.378 0.033 1 615 63 63 ASP CB C 40.987 0.030 1 616 63 63 ASP N N 117.352 0.037 1 617 64 64 VAL H H 7.086 0.011 1 618 64 64 VAL HA H 3.772 0.008 1 619 64 64 VAL HB H 2.104 0.003 1 620 64 64 VAL HG1 H 0.985 0.007 2 621 64 64 VAL HG2 H 0.887 0.007 2 622 64 64 VAL C C 176.876 0.004 1 623 64 64 VAL CA C 64.747 0.039 1 624 64 64 VAL CB C 32.332 0.076 1 625 64 64 VAL CG1 C 21.795 0.072 2 626 64 64 VAL CG2 C 21.192 0.108 2 627 64 64 VAL N N 117.436 0.118 1 628 65 65 GLU H H 7.545 0.013 1 629 65 65 GLU HA H 4.089 0.006 1 630 65 65 GLU HB2 H 1.877 0.002 2 631 65 65 GLU HB3 H 1.743 0.006 2 632 65 65 GLU HG2 H 2.139 0.001 2 633 65 65 GLU HG3 H 2.033 0.002 2 634 65 65 GLU C C 174.126 0.006 1 635 65 65 GLU CA C 56.693 0.136 1 636 65 65 GLU CB C 30.791 0.046 1 637 65 65 GLU CG C 35.825 0.030 1 638 65 65 GLU N N 119.094 0.221 1 639 66 66 ASP H H 8.121 0.004 1 640 66 66 ASP HA H 4.776 0.005 1 641 66 66 ASP HB2 H 2.814 0.003 2 642 66 66 ASP HB3 H 2.683 0.003 2 643 66 66 ASP C C 174.862 0.000 1 644 66 66 ASP CA C 52.137 0.043 1 645 66 66 ASP CB C 42.036 0.035 1 646 66 66 ASP N N 121.631 0.071 1 647 67 67 PRO HA H 4.370 0.022 1 648 67 67 PRO HB2 H 2.017 0.000 2 649 67 67 PRO HB3 H 1.679 0.011 2 650 67 67 PRO HG2 H 1.737 0.000 2 651 67 67 PRO HG3 H 1.548 0.001 2 652 67 67 PRO HD2 H 3.880 0.001 2 653 67 67 PRO HD3 H 3.568 0.009 2 654 67 67 PRO C C 176.194 0.000 1 655 67 67 PRO CA C 63.286 0.036 1 656 67 67 PRO CB C 31.927 0.073 1 657 67 67 PRO CG C 26.930 0.070 1 658 67 67 PRO CD C 49.873 0.020 1 659 68 68 ILE H H 8.197 0.008 1 660 68 68 ILE HA H 3.722 0.004 1 661 68 68 ILE HB H 1.686 0.000 1 662 68 68 ILE HG12 H 1.035 0.001 2 663 68 68 ILE HG13 H 0.169 0.004 2 664 68 68 ILE HG2 H 0.680 0.006 1 665 68 68 ILE HD1 H -0.078 0.010 1 666 68 68 ILE C C 177.043 0.000 1 667 68 68 ILE CA C 62.222 0.085 1 668 68 68 ILE CB C 37.876 0.072 1 669 68 68 ILE CG1 C 28.334 0.059 1 670 68 68 ILE CG2 C 19.830 0.058 1 671 68 68 ILE CD1 C 12.906 0.085 1 672 68 68 ILE N N 121.762 0.067 1 673 69 69 THR HA H 4.306 0.005 1 674 69 69 THR HB H 4.406 0.004 1 675 69 69 THR HG2 H 1.076 0.005 1 676 69 69 THR C C 178.623 0.000 1 677 69 69 THR CA C 62.732 0.022 1 678 69 69 THR CB C 68.917 0.042 1 679 69 69 THR CG2 C 21.587 0.017 1 680 70 70 VAL H H 6.935 0.008 1 681 70 70 VAL HA H 4.552 0.006 1 682 70 70 VAL HB H 2.426 0.006 1 683 70 70 VAL HG1 H 0.906 0.015 2 684 70 70 VAL HG2 H 0.835 0.006 2 685 70 70 VAL C C 175.064 0.000 1 686 70 70 VAL CA C 59.377 0.031 1 687 70 70 VAL CB C 34.121 0.038 1 688 70 70 VAL CG1 C 21.622 0.042 2 689 70 70 VAL CG2 C 18.018 0.056 2 690 70 70 VAL N N 114.070 0.143 1 691 71 71 ALA H H 8.394 0.009 1 692 71 71 ALA HA H 4.298 0.006 1 693 71 71 ALA HB H 1.360 0.005 1 694 71 71 ALA C C 178.057 0.000 1 695 71 71 ALA CA C 52.799 0.025 1 696 71 71 ALA CB C 18.946 0.105 1 697 71 71 ALA N N 123.789 0.170 1 698 72 72 TYR H H 8.201 0.005 1 699 72 72 TYR HA H 5.239 0.010 1 700 72 72 TYR HB2 H 2.693 0.000 2 701 72 72 TYR HB3 H 2.534 0.000 2 702 72 72 TYR C C 172.979 0.001 1 703 72 72 TYR CA C 56.069 0.047 1 704 72 72 TYR CB C 41.111 0.078 1 705 72 72 TYR N N 118.316 0.190 1 706 73 73 ASN H H 8.414 0.003 1 707 73 73 ASN HA H 4.792 0.005 1 708 73 73 ASN HB2 H 2.621 0.000 2 709 73 73 ASN HB3 H 2.611 0.003 2 710 73 73 ASN HD21 H 7.518 0.006 1 711 73 73 ASN HD22 H 6.851 0.014 1 712 73 73 ASN C C 173.338 0.012 1 713 73 73 ASN CA C 51.341 0.040 1 714 73 73 ASN CB C 41.074 0.030 1 715 73 73 ASN CG C 176.387 0.000 1 716 73 73 ASN N N 117.561 0.067 1 717 73 73 ASN ND2 N 114.294 0.009 1 718 74 74 LEU H H 8.702 0.004 1 719 74 74 LEU HA H 5.125 0.007 1 720 74 74 LEU HB2 H 1.646 0.005 2 721 74 74 LEU HB3 H 1.423 0.004 2 722 74 74 LEU HG H 1.431 0.002 1 723 74 74 LEU HD1 H 0.820 0.004 2 724 74 74 LEU HD2 H 0.841 0.010 2 725 74 74 LEU C C 176.066 0.005 1 726 74 74 LEU CA C 54.442 0.032 1 727 74 74 LEU CB C 44.730 0.041 1 728 74 74 LEU CG C 27.725 0.050 1 729 74 74 LEU CD1 C 26.495 0.103 2 730 74 74 LEU CD2 C 25.168 0.162 2 731 74 74 LEU N N 124.998 0.034 1 732 75 75 GLU H H 9.086 0.003 1 733 75 75 GLU HA H 4.507 0.007 1 734 75 75 GLU HB2 H 1.718 0.003 2 735 75 75 GLU HB3 H 1.517 0.002 2 736 75 75 GLU HG2 H 1.941 0.002 2 737 75 75 GLU HG3 H 1.937 0.001 2 738 75 75 GLU C C 173.852 0.010 1 739 75 75 GLU CA C 55.152 0.038 1 740 75 75 GLU CB C 33.531 0.040 1 741 75 75 GLU CG C 35.966 0.012 1 742 75 75 GLU N N 127.112 0.072 1 743 76 76 VAL H H 8.465 0.003 1 744 76 76 VAL HA H 4.778 0.006 1 745 76 76 VAL HB H 1.715 0.004 1 746 76 76 VAL HG1 H 0.670 0.005 2 747 76 76 VAL HG2 H 0.757 0.004 2 748 76 76 VAL C C 174.545 0.000 1 749 76 76 VAL CA C 60.747 0.035 1 750 76 76 VAL CB C 33.335 0.097 1 751 76 76 VAL CG1 C 21.107 0.045 2 752 76 76 VAL CG2 C 22.261 0.049 2 753 76 76 VAL N N 125.472 0.058 1 754 77 77 SER H H 8.797 0.004 1 755 77 77 SER HA H 4.833 0.006 1 756 77 77 SER HB2 H 3.508 0.004 2 757 77 77 SER HB3 H 3.405 0.003 2 758 77 77 SER C C 172.839 0.017 1 759 77 77 SER CA C 56.907 0.036 1 760 77 77 SER CB C 66.605 0.024 1 761 77 77 SER N N 120.474 0.050 1 762 78 78 SER H H 8.366 0.008 1 763 78 78 SER HA H 5.612 0.005 1 764 78 78 SER HB2 H 4.136 0.003 2 765 78 78 SER HB3 H 3.618 0.003 2 766 78 78 SER C C 174.060 0.000 1 767 78 78 SER CA C 56.434 0.029 1 768 78 78 SER CB C 63.310 0.027 1 769 78 78 SER N N 116.477 0.061 1 770 79 79 PRO HA H 4.227 0.004 1 771 79 79 PRO HB2 H 1.902 0.000 2 772 79 79 PRO HB3 H 1.910 0.005 2 773 79 79 PRO HG2 H 1.998 0.006 1 774 79 79 PRO HD2 H 4.445 0.000 2 775 79 79 PRO HD3 H 3.714 0.006 2 776 79 79 PRO C C 176.321 0.000 1 777 79 79 PRO CA C 64.127 0.036 1 778 79 79 PRO CB C 32.662 0.093 1 779 79 79 PRO CG C 28.390 0.059 1 780 79 79 PRO CD C 50.442 0.046 1 781 80 80 GLY H H 8.062 0.006 1 782 80 80 GLY HA2 H 3.974 0.001 2 783 80 80 GLY HA3 H 3.823 0.006 2 784 80 80 GLY C C 173.921 0.007 1 785 80 80 GLY CA C 43.892 0.034 1 786 80 80 GLY N N 105.753 0.084 1 787 81 81 LEU H H 8.539 0.010 1 788 81 81 LEU HA H 3.961 0.004 1 789 81 81 LEU HB2 H 1.573 0.001 2 790 81 81 LEU HB3 H 1.295 0.007 2 791 81 81 LEU HG H 1.620 0.011 1 792 81 81 LEU HD1 H 0.845 0.003 2 793 81 81 LEU HD2 H 0.769 0.004 2 794 81 81 LEU C C 178.206 0.000 1 795 81 81 LEU CA C 56.768 0.033 1 796 81 81 LEU CB C 41.754 0.040 1 797 81 81 LEU CG C 27.090 0.109 1 798 81 81 LEU CD1 C 25.255 0.026 2 799 81 81 LEU CD2 C 22.634 0.021 2 800 81 81 LEU N N 119.390 0.124 1 801 82 82 ASP H H 8.955 0.003 1 802 82 82 ASP HA H 4.557 0.008 1 803 82 82 ASP HB2 H 2.551 0.000 2 804 82 82 ASP HB3 H 2.042 0.000 2 805 82 82 ASP C C 175.962 0.003 1 806 82 82 ASP CA C 51.211 0.051 1 807 82 82 ASP CB C 37.626 0.044 1 808 82 82 ASP N N 118.680 0.087 1 809 83 83 ARG H H 6.460 0.011 1 810 83 83 ARG HA H 3.900 0.006 1 811 83 83 ARG HB2 H 1.352 0.000 2 812 83 83 ARG HB3 H 1.285 0.002 2 813 83 83 ARG HG2 H 1.079 0.016 2 814 83 83 ARG HG3 H 1.050 0.000 2 815 83 83 ARG HD2 H 2.817 0.000 2 816 83 83 ARG HD3 H 2.631 0.000 2 817 83 83 ARG C C 172.802 0.000 1 818 83 83 ARG CA C 54.269 0.077 1 819 83 83 ARG CB C 31.318 0.074 1 820 83 83 ARG CG C 26.158 0.042 1 821 83 83 ARG CD C 43.856 0.013 1 822 83 83 ARG N N 118.849 0.076 1 823 84 84 PRO HA H 4.828 0.004 1 824 84 84 PRO HB2 H 1.647 0.013 2 825 84 84 PRO HB3 H 1.049 0.000 2 826 84 84 PRO C C 175.202 0.000 1 827 84 84 PRO CA C 61.311 0.047 1 828 84 84 PRO CB C 31.925 0.057 1 829 84 84 PRO CG C 25.673 0.000 1 830 85 85 LEU H H 7.109 0.006 1 831 85 85 LEU HA H 4.211 0.002 1 832 85 85 LEU HG H 0.991 0.004 1 833 85 85 LEU HD1 H 0.067 0.011 2 834 85 85 LEU HD2 H 0.081 0.003 2 835 85 85 LEU CA C 53.828 0.068 1 836 85 85 LEU CB C 43.036 0.052 1 837 85 85 LEU CG C 27.215 0.078 1 838 85 85 LEU CD1 C 25.907 0.063 2 839 85 85 LEU CD2 C 24.413 0.038 2 840 85 85 LEU N N 117.969 0.106 1 841 86 86 PHE HA H 4.875 0.007 1 842 86 86 PHE HB2 H 3.418 0.009 2 843 86 86 PHE HB3 H 3.032 0.017 2 844 86 86 PHE C C 175.581 0.000 1 845 86 86 PHE CA C 59.567 0.057 1 846 86 86 PHE CB C 43.758 0.035 1 847 87 87 THR H H 7.582 0.005 1 848 87 87 THR HA H 4.723 0.007 1 849 87 87 THR HB H 4.420 0.002 1 850 87 87 THR HG2 H 1.011 0.006 1 851 87 87 THR C C 174.830 0.002 1 852 87 87 THR CA C 59.017 0.082 1 853 87 87 THR CB C 71.408 0.045 1 854 87 87 THR CG2 C 21.368 0.042 1 855 87 87 THR N N 110.201 0.098 1 856 88 88 ALA H H 9.088 0.005 1 857 88 88 ALA HA H 3.959 0.007 1 858 88 88 ALA HB H 1.335 0.006 1 859 88 88 ALA C C 179.178 0.004 1 860 88 88 ALA CA C 56.122 0.035 1 861 88 88 ALA CB C 17.991 0.031 1 862 88 88 ALA N N 123.359 0.080 1 863 89 89 GLU H H 8.159 0.007 1 864 89 89 GLU HA H 3.913 0.004 1 865 89 89 GLU HB2 H 1.880 0.003 2 866 89 89 GLU HB3 H 1.816 0.001 2 867 89 89 GLU HG2 H 2.230 0.001 1 868 89 89 GLU C C 179.216 0.000 1 869 89 89 GLU CA C 59.703 0.041 1 870 89 89 GLU CB C 28.893 0.059 1 871 89 89 GLU CG C 36.816 0.028 1 872 89 89 GLU N N 115.855 0.094 1 873 90 90 HIS H H 7.662 0.003 1 874 90 90 HIS HA H 4.328 0.007 1 875 90 90 HIS HB2 H 3.559 0.004 2 876 90 90 HIS HB3 H 3.056 0.002 2 877 90 90 HIS C C 177.170 0.001 1 878 90 90 HIS CA C 57.835 0.025 1 879 90 90 HIS CB C 31.963 0.057 1 880 90 90 HIS N N 119.776 0.045 1 881 91 91 TYR H H 7.452 0.005 1 882 91 91 TYR HA H 3.818 0.010 1 883 91 91 TYR HB2 H 2.969 0.000 1 884 91 91 TYR C C 177.374 0.000 1 885 91 91 TYR CA C 62.945 0.036 1 886 91 91 TYR CB C 38.729 0.149 1 887 91 91 TYR N N 115.453 0.043 1 888 92 92 ALA H H 7.952 0.003 1 889 92 92 ALA HA H 3.802 0.005 1 890 92 92 ALA HB H 1.358 0.012 1 891 92 92 ALA C C 180.090 0.008 1 892 92 92 ALA CA C 54.545 0.064 1 893 92 92 ALA CB C 17.954 0.072 1 894 92 92 ALA N N 118.097 0.040 1 895 93 93 ARG H H 7.615 0.008 1 896 93 93 ARG HA H 3.804 0.004 1 897 93 93 ARG HB2 H 1.570 0.006 2 898 93 93 ARG HB3 H 1.346 0.008 2 899 93 93 ARG HG2 H 1.202 0.001 2 900 93 93 ARG HG3 H 0.633 0.005 2 901 93 93 ARG HD2 H 2.811 0.000 2 902 93 93 ARG HD3 H 2.638 0.000 2 903 93 93 ARG C C 177.120 0.012 1 904 93 93 ARG CA C 57.883 0.023 1 905 93 93 ARG CB C 30.107 0.059 1 906 93 93 ARG CG C 26.110 0.044 1 907 93 93 ARG CD C 43.820 0.069 1 908 93 93 ARG N N 117.715 0.057 1 909 94 94 PHE H H 7.221 0.008 1 910 94 94 PHE HA H 4.713 0.008 1 911 94 94 PHE HB2 H 3.337 0.005 2 912 94 94 PHE HB3 H 2.253 0.010 2 913 94 94 PHE HD1 H 6.977 0.000 1 914 94 94 PHE HD2 H 6.977 0.000 1 915 94 94 PHE C C 173.513 0.000 1 916 94 94 PHE CA C 57.291 0.143 1 917 94 94 PHE CB C 38.771 0.041 1 918 94 94 PHE N N 115.755 0.069 1 919 95 95 VAL H H 6.671 0.005 1 920 95 95 VAL HA H 3.407 0.004 1 921 95 95 VAL HB H 1.842 0.007 1 922 95 95 VAL HG1 H 0.959 0.003 2 923 95 95 VAL HG2 H 0.854 0.010 2 924 95 95 VAL C C 177.400 0.009 1 925 95 95 VAL CA C 65.452 0.041 1 926 95 95 VAL CB C 31.769 0.051 1 927 95 95 VAL CG1 C 22.333 0.037 2 928 95 95 VAL CG2 C 21.400 0.157 2 929 95 95 VAL N N 118.836 0.069 1 930 96 96 GLY H H 9.285 0.003 1 931 96 96 GLY HA2 H 4.429 0.012 2 932 96 96 GLY HA3 H 3.466 0.006 2 933 96 96 GLY C C 174.350 0.000 1 934 96 96 GLY CA C 44.765 0.036 1 935 96 96 GLY N N 116.146 0.041 1 936 97 97 GLU H H 8.331 0.004 1 937 97 97 GLU HA H 4.625 0.008 1 938 97 97 GLU HB2 H 2.241 0.003 2 939 97 97 GLU HB3 H 2.096 0.007 2 940 97 97 GLU HG2 H 2.194 0.008 1 941 97 97 GLU C C 175.154 0.005 1 942 97 97 GLU CA C 54.324 0.067 1 943 97 97 GLU CB C 30.850 0.088 1 944 97 97 GLU CG C 35.946 0.039 1 945 97 97 GLU N N 119.171 0.104 1 946 98 98 GLU H H 8.697 0.003 1 947 98 98 GLU HA H 4.740 0.005 1 948 98 98 GLU HB2 H 1.929 0.003 2 949 98 98 GLU HB3 H 1.853 0.003 2 950 98 98 GLU HG2 H 2.145 0.010 2 951 98 98 GLU HG3 H 2.009 0.005 2 952 98 98 GLU C C 174.849 0.007 1 953 98 98 GLU CA C 55.857 0.054 1 954 98 98 GLU CB C 31.117 0.041 1 955 98 98 GLU CG C 36.972 0.069 1 956 98 98 GLU N N 122.189 0.050 1 957 99 99 VAL H H 9.411 0.006 1 958 99 99 VAL HA H 4.955 0.008 1 959 99 99 VAL HB H 1.698 0.003 1 960 99 99 VAL HG1 H 0.685 0.016 2 961 99 99 VAL HG2 H 0.726 0.010 2 962 99 99 VAL C C 172.276 0.004 1 963 99 99 VAL CA C 58.736 0.062 1 964 99 99 VAL CB C 37.083 0.047 1 965 99 99 VAL CG1 C 22.383 0.048 2 966 99 99 VAL CG2 C 20.804 0.084 2 967 99 99 VAL N N 123.274 0.069 1 968 100 100 THR H H 8.727 0.008 1 969 100 100 THR HA H 4.967 0.004 1 970 100 100 THR HB H 3.811 0.005 1 971 100 100 THR HG2 H 1.048 0.004 1 972 100 100 THR C C 173.734 0.000 1 973 100 100 THR CA C 60.090 0.058 1 974 100 100 THR CB C 70.312 0.060 1 975 100 100 THR CG2 C 21.522 0.038 1 976 100 100 THR N N 119.016 0.038 1 977 101 101 LEU H H 9.354 0.005 1 978 101 101 LEU HA H 5.191 0.014 1 979 101 101 LEU HB2 H 1.576 0.005 2 980 101 101 LEU HB3 H 1.197 0.017 2 981 101 101 LEU HG H 1.458 0.001 1 982 101 101 LEU HD1 H 0.616 0.005 2 983 101 101 LEU HD2 H 0.141 0.003 2 984 101 101 LEU C C 175.647 0.000 1 985 101 101 LEU CA C 53.582 0.069 1 986 101 101 LEU CB C 45.963 0.061 1 987 101 101 LEU CG C 26.136 0.019 1 988 101 101 LEU CD1 C 25.870 0.070 2 989 101 101 LEU CD2 C 25.744 0.046 2 990 101 101 LEU N N 125.743 0.039 1 991 102 102 VAL H H 8.928 0.007 1 992 102 102 VAL HA H 4.792 0.012 1 993 102 102 VAL HB H 1.825 0.004 1 994 102 102 VAL HG1 H 0.799 0.002 2 995 102 102 VAL HG2 H 0.831 0.020 2 996 102 102 VAL C C 176.094 0.017 1 997 102 102 VAL CA C 61.197 0.042 1 998 102 102 VAL CB C 33.974 0.082 1 999 102 102 VAL CG1 C 20.913 0.007 2 1000 102 102 VAL CG2 C 21.032 0.094 2 1001 102 102 VAL N N 122.078 0.077 1 1002 103 103 LEU H H 9.211 0.004 1 1003 103 103 LEU HA H 5.008 0.015 1 1004 103 103 LEU HB2 H 1.829 0.002 2 1005 103 103 LEU HB3 H 1.562 0.020 2 1006 103 103 LEU HG H 1.046 0.004 1 1007 103 103 LEU HD1 H 0.389 0.006 2 1008 103 103 LEU HD2 H 0.386 0.005 2 1009 103 103 LEU C C 177.395 0.000 1 1010 103 103 LEU CA C 53.580 0.055 1 1011 103 103 LEU CB C 43.590 0.055 1 1012 103 103 LEU CG C 27.330 0.039 1 1013 103 103 LEU CD1 C 22.130 0.000 2 1014 103 103 LEU CD2 C 22.119 0.015 2 1015 103 103 LEU N N 126.385 0.066 1 1016 104 104 ARG H H 8.636 0.004 1 1017 104 104 ARG HA H 4.090 0.007 1 1018 104 104 ARG HB2 H 1.906 0.000 2 1019 104 104 ARG HB3 H 1.901 0.000 2 1020 104 104 ARG HG2 H 1.321 0.017 2 1021 104 104 ARG HG3 H 1.343 0.003 2 1022 104 104 ARG HD2 H 3.278 0.000 2 1023 104 104 ARG HD3 H 3.275 0.000 2 1024 104 104 ARG C C 176.478 0.000 1 1025 104 104 ARG CA C 59.245 0.062 1 1026 104 104 ARG CB C 29.829 0.053 1 1027 104 104 ARG CG C 29.265 0.042 1 1028 104 104 ARG CD C 43.239 0.062 1 1029 104 104 ARG N N 121.332 0.053 1 1030 105 105 MET H H 8.737 0.004 1 1031 105 105 MET HA H 4.586 0.007 1 1032 105 105 MET HB2 H 2.025 0.007 2 1033 105 105 MET HB3 H 1.980 0.000 2 1034 105 105 MET HG2 H 2.542 0.002 2 1035 105 105 MET HG3 H 2.472 0.003 2 1036 105 105 MET HE H 2.030 0.012 1 1037 105 105 MET C C 174.650 0.005 1 1038 105 105 MET CA C 53.640 0.094 1 1039 105 105 MET CB C 33.747 0.050 1 1040 105 105 MET CG C 31.879 0.017 1 1041 105 105 MET CE C 16.969 0.155 1 1042 105 105 MET N N 118.769 0.084 1 1043 106 106 ALA H H 8.437 0.004 1 1044 106 106 ALA HA H 3.840 0.004 1 1045 106 106 ALA HB H 1.122 0.003 1 1046 106 106 ALA C C 176.799 0.008 1 1047 106 106 ALA CA C 53.211 0.048 1 1048 106 106 ALA CB C 19.040 0.051 1 1049 106 106 ALA N N 123.310 0.094 1 1050 107 107 VAL H H 7.969 0.014 1 1051 107 107 VAL HA H 4.266 0.003 1 1052 107 107 VAL HB H 1.969 0.002 1 1053 107 107 VAL HG1 H 1.039 0.011 2 1054 107 107 VAL HG2 H 0.991 0.002 2 1055 107 107 VAL C C 176.091 0.000 1 1056 107 107 VAL CA C 61.468 0.054 1 1057 107 107 VAL CB C 35.319 0.048 1 1058 107 107 VAL CG1 C 21.332 0.142 2 1059 107 107 VAL CG2 C 21.028 0.043 2 1060 107 107 VAL N N 120.538 0.131 1 1061 108 108 GLN H H 9.444 0.005 1 1062 108 108 GLN HA H 3.865 0.008 1 1063 108 108 GLN HB2 H 2.396 0.005 2 1064 108 108 GLN HB3 H 2.343 0.022 2 1065 108 108 GLN HG2 H 2.370 0.018 2 1066 108 108 GLN HG3 H 2.312 0.000 2 1067 108 108 GLN HE21 H 7.325 0.004 1 1068 108 108 GLN HE22 H 7.067 0.002 1 1069 108 108 GLN C C 175.699 0.010 1 1070 108 108 GLN CA C 57.134 0.049 1 1071 108 108 GLN CB C 27.285 0.069 1 1072 108 108 GLN CG C 34.502 0.073 1 1073 108 108 GLN CD C 180.993 0.000 1 1074 108 108 GLN N N 124.498 0.046 1 1075 108 108 GLN NE2 N 113.077 0.021 1 1076 109 109 ASN H H 8.809 0.008 1 1077 109 109 ASN HA H 4.048 0.019 1 1078 109 109 ASN HB2 H 3.026 0.002 2 1079 109 109 ASN HB3 H 2.826 0.002 2 1080 109 109 ASN HD21 H 7.477 0.004 1 1081 109 109 ASN HD22 H 6.807 0.004 1 1082 109 109 ASN C C 174.421 0.000 1 1083 109 109 ASN CA C 54.658 0.088 1 1084 109 109 ASN CB C 38.048 0.040 1 1085 109 109 ASN CG C 178.603 0.000 1 1086 109 109 ASN N N 132.029 0.151 1 1087 109 109 ASN ND2 N 113.059 0.108 1 1088 110 110 ARG H H 8.070 0.005 1 1089 110 110 ARG HA H 4.529 0.007 1 1090 110 110 ARG HB2 H 1.517 0.008 2 1091 110 110 ARG HB3 H 1.368 0.006 2 1092 110 110 ARG HG2 H 1.213 0.010 2 1093 110 110 ARG HG3 H 0.517 0.007 2 1094 110 110 ARG HD2 H 2.125 0.002 2 1095 110 110 ARG HD3 H 1.548 0.000 2 1096 110 110 ARG C C 175.963 0.000 1 1097 110 110 ARG CA C 56.276 0.065 1 1098 110 110 ARG CB C 33.274 0.063 1 1099 110 110 ARG CG C 25.997 0.079 1 1100 110 110 ARG CD C 43.033 0.050 1 1101 110 110 ARG N N 120.246 0.102 1 1102 111 111 ARG H H 8.767 0.003 1 1103 111 111 ARG HA H 4.539 0.008 1 1104 111 111 ARG HB2 H 2.000 0.022 2 1105 111 111 ARG HB3 H 1.693 0.005 2 1106 111 111 ARG HG2 H 1.691 0.003 2 1107 111 111 ARG HG3 H 1.303 0.009 2 1108 111 111 ARG HD2 H 3.174 0.000 2 1109 111 111 ARG HD3 H 3.168 0.000 2 1110 111 111 ARG C C 174.667 0.000 1 1111 111 111 ARG CA C 57.092 0.035 1 1112 111 111 ARG CB C 32.462 0.082 1 1113 111 111 ARG CG C 29.165 0.022 1 1114 111 111 ARG CD C 43.322 0.032 1 1115 111 111 ARG N N 127.803 0.043 1 1116 112 112 LYS H H 7.609 0.004 1 1117 112 112 LYS HA H 5.315 0.008 1 1118 112 112 LYS HB2 H 1.704 0.001 2 1119 112 112 LYS HB3 H 1.581 0.000 2 1120 112 112 LYS HG2 H 1.325 0.003 2 1121 112 112 LYS HG3 H 1.188 0.005 2 1122 112 112 LYS HD2 H 1.556 0.000 2 1123 112 112 LYS HD3 H 1.555 0.000 2 1124 112 112 LYS HE2 H 2.796 0.000 2 1125 112 112 LYS HE3 H 2.790 0.000 2 1126 112 112 LYS C C 174.751 0.000 1 1127 112 112 LYS CA C 55.636 0.058 1 1128 112 112 LYS CB C 33.509 0.039 1 1129 112 112 LYS CG C 25.240 0.039 1 1130 112 112 LYS CD C 29.408 0.056 1 1131 112 112 LYS CE C 41.915 0.003 1 1132 112 112 LYS N N 120.982 0.051 1 1133 113 113 TRP H H 8.743 0.007 1 1134 113 113 TRP HA H 4.555 0.017 1 1135 113 113 TRP HB2 H 2.394 0.006 2 1136 113 113 TRP HB3 H 2.857 0.004 2 1137 113 113 TRP C C 173.648 0.000 1 1138 113 113 TRP CA C 56.099 0.039 1 1139 113 113 TRP CB C 33.393 0.073 1 1140 113 113 TRP N N 125.189 0.048 1 1141 114 114 GLN H H 7.844 0.008 1 1142 114 114 GLN HA H 5.594 0.006 1 1143 114 114 GLN HB2 H 2.049 0.005 2 1144 114 114 GLN HB3 H 1.858 0.001 2 1145 114 114 GLN HG2 H 2.299 0.010 2 1146 114 114 GLN HG3 H 2.265 0.000 2 1147 114 114 GLN HE21 H 7.807 0.008 1 1148 114 114 GLN HE22 H 6.765 0.006 1 1149 114 114 GLN C C 174.984 0.000 1 1150 114 114 GLN CA C 54.189 0.038 1 1151 114 114 GLN CB C 31.658 0.031 1 1152 114 114 GLN CG C 33.269 0.049 1 1153 114 114 GLN CD C 180.151 0.000 1 1154 114 114 GLN N N 121.459 0.072 1 1155 114 114 GLN NE2 N 113.352 0.040 1 1156 115 115 GLY H H 8.484 0.010 1 1157 115 115 GLY HA2 H 4.419 0.009 2 1158 115 115 GLY HA3 H 4.220 0.003 2 1159 115 115 GLY C C 171.029 0.000 1 1160 115 115 GLY CA C 46.045 0.077 1 1161 115 115 GLY N N 111.320 0.147 1 1162 116 116 VAL H H 8.181 0.004 1 1163 116 116 VAL HA H 4.422 0.007 1 1164 116 116 VAL HB H 1.751 0.006 1 1165 116 116 VAL HG1 H 0.883 0.005 2 1166 116 116 VAL HG2 H 0.684 0.005 2 1167 116 116 VAL C C 176.437 0.009 1 1168 116 116 VAL CA C 61.444 0.048 1 1169 116 116 VAL CB C 34.676 0.138 1 1170 116 116 VAL CG1 C 21.977 0.027 2 1171 116 116 VAL CG2 C 21.007 0.044 2 1172 116 116 VAL N N 119.924 0.172 1 1173 117 117 ILE H H 8.769 0.005 1 1174 117 117 ILE HA H 3.630 0.004 1 1175 117 117 ILE HB H 2.036 0.007 1 1176 117 117 ILE HG12 H 1.932 0.007 2 1177 117 117 ILE HG13 H 0.684 0.009 2 1178 117 117 ILE HG2 H 0.849 0.009 1 1179 117 117 ILE HD1 H 0.797 0.011 1 1180 117 117 ILE C C 175.022 0.004 1 1181 117 117 ILE CA C 64.763 0.055 1 1182 117 117 ILE CB C 37.674 0.075 1 1183 117 117 ILE CG1 C 29.455 0.067 1 1184 117 117 ILE CG2 C 17.949 0.033 1 1185 117 117 ILE CD1 C 13.963 0.056 1 1186 117 117 ILE N N 126.973 0.047 1 1187 118 118 LYS H H 9.335 0.010 1 1188 118 118 LYS HA H 4.493 0.021 1 1189 118 118 LYS HB2 H 1.651 0.000 2 1190 118 118 LYS HB3 H 1.647 0.000 2 1191 118 118 LYS HG2 H 1.283 0.050 2 1192 118 118 LYS HG3 H 1.209 0.061 2 1193 118 118 LYS HD2 H 1.448 0.000 2 1194 118 118 LYS HD3 H 1.343 0.000 2 1195 118 118 LYS HE2 H 2.806 0.000 2 1196 118 118 LYS HE3 H 2.793 0.000 2 1197 118 118 LYS C C 175.483 0.020 1 1198 118 118 LYS CA C 56.979 0.052 1 1199 118 118 LYS CB C 35.119 0.091 1 1200 118 118 LYS CG C 25.225 0.042 1 1201 118 118 LYS CD C 29.492 0.043 1 1202 118 118 LYS CE C 42.013 0.075 1 1203 118 118 LYS N N 132.825 0.022 1 1204 119 119 ALA H H 7.824 0.008 1 1205 119 119 ALA HA H 4.411 0.007 1 1206 119 119 ALA HB H 1.223 0.006 1 1207 119 119 ALA C C 173.993 0.000 1 1208 119 119 ALA CA C 51.926 0.045 1 1209 119 119 ALA CB C 22.323 0.094 1 1210 119 119 ALA N N 117.906 0.118 1 1211 120 120 VAL H H 8.340 0.004 1 1212 120 120 VAL HA H 4.349 0.009 1 1213 120 120 VAL HB H 1.749 0.001 1 1214 120 120 VAL HG1 H 0.688 0.015 2 1215 120 120 VAL HG2 H 0.759 0.009 2 1216 120 120 VAL C C 174.195 0.000 1 1217 120 120 VAL CA C 61.651 0.068 1 1218 120 120 VAL CB C 34.834 0.069 1 1219 120 120 VAL CG1 C 21.106 0.036 2 1220 120 120 VAL CG2 C 20.551 0.065 2 1221 120 120 VAL N N 119.064 0.051 1 1222 121 121 ASP H H 8.438 0.004 1 1223 121 121 ASP HA H 4.748 0.005 1 1224 121 121 ASP HB2 H 2.483 0.001 2 1225 121 121 ASP HB3 H 2.384 0.010 2 1226 121 121 ASP C C 175.940 0.004 1 1227 121 121 ASP CA C 52.901 0.041 1 1228 121 121 ASP CB C 42.361 0.047 1 1229 121 121 ASP N N 127.029 0.058 1 1230 122 122 GLY H H 8.762 0.004 1 1231 122 122 GLY HA2 H 3.868 0.004 2 1232 122 122 GLY HA3 H 3.469 0.002 2 1233 122 122 GLY C C 173.842 0.000 1 1234 122 122 GLY CA C 47.232 0.045 1 1235 122 122 GLY N N 115.875 0.023 1 1236 123 123 GLU H H 8.649 0.004 1 1237 123 123 GLU HA H 4.286 0.006 1 1238 123 123 GLU HB2 H 2.209 0.003 2 1239 123 123 GLU HB3 H 1.957 0.006 2 1240 123 123 GLU HG2 H 2.185 0.000 2 1241 123 123 GLU HG3 H 2.116 0.000 2 1242 123 123 GLU C C 174.425 0.004 1 1243 123 123 GLU CA C 55.541 0.047 1 1244 123 123 GLU CB C 30.052 0.072 1 1245 123 123 GLU CG C 36.202 0.085 1 1246 123 123 GLU N N 124.486 0.039 1 1247 124 124 MET H H 7.998 0.010 1 1248 124 124 MET HA H 4.888 0.006 1 1249 124 124 MET HB2 H 2.571 0.016 2 1250 124 124 MET HB3 H 2.463 0.005 2 1251 124 124 MET HG2 H 2.019 0.000 2 1252 124 124 MET HG3 H 1.976 0.015 2 1253 124 124 MET HE H 1.856 0.003 1 1254 124 124 MET C C 175.450 0.004 1 1255 124 124 MET CA C 53.547 0.044 1 1256 124 124 MET CB C 31.845 0.065 1 1257 124 124 MET CG C 33.627 0.186 1 1258 124 124 MET CE C 16.916 0.041 1 1259 124 124 MET N N 117.921 0.073 1 1260 125 125 ILE H H 9.301 0.004 1 1261 125 125 ILE HA H 4.384 0.006 1 1262 125 125 ILE HB H 1.640 0.008 1 1263 125 125 ILE HG12 H 0.844 0.004 2 1264 125 125 ILE HG13 H 0.612 0.002 2 1265 125 125 ILE HG2 H 0.491 0.004 1 1266 125 125 ILE HD1 H 0.030 0.004 1 1267 125 125 ILE C C 175.122 0.007 1 1268 125 125 ILE CA C 59.135 0.049 1 1269 125 125 ILE CB C 39.280 0.084 1 1270 125 125 ILE CG1 C 26.816 0.034 1 1271 125 125 ILE CG2 C 17.774 0.024 1 1272 125 125 ILE CD1 C 12.407 0.042 1 1273 125 125 ILE N N 127.514 0.051 1 1274 126 126 THR H H 8.999 0.004 1 1275 126 126 THR HA H 5.032 0.005 1 1276 126 126 THR HB H 3.781 0.008 1 1277 126 126 THR HG2 H 0.843 0.004 1 1278 126 126 THR C C 173.967 0.000 1 1279 126 126 THR CA C 61.965 0.038 1 1280 126 126 THR CB C 68.429 0.000 1 1281 126 126 THR CG2 C 21.113 0.042 1 1282 126 126 THR N N 123.267 0.121 1 1283 127 127 VAL H H 9.410 0.005 1 1284 127 127 VAL HA H 4.702 0.004 1 1285 127 127 VAL HB H 1.728 0.005 1 1286 127 127 VAL HG1 H 0.481 0.005 2 1287 127 127 VAL HG2 H 0.692 0.006 2 1288 127 127 VAL C C 174.421 0.005 1 1289 127 127 VAL CA C 59.765 0.067 1 1290 127 127 VAL CB C 35.395 0.066 1 1291 127 127 VAL CG1 C 20.701 0.109 2 1292 127 127 VAL CG2 C 21.583 0.090 2 1293 127 127 VAL N N 129.528 0.064 1 1294 128 128 THR H H 9.611 0.004 1 1295 128 128 THR HA H 4.717 0.012 1 1296 128 128 THR HB H 3.769 0.004 1 1297 128 128 THR HG2 H 0.995 0.005 1 1298 128 128 THR C C 174.957 0.014 1 1299 128 128 THR CA C 63.065 0.036 1 1300 128 128 THR CB C 68.707 0.049 1 1301 128 128 THR CG2 C 22.168 0.028 1 1302 128 128 THR N N 126.029 0.049 1 1303 129 129 VAL H H 9.458 0.015 1 1304 129 129 VAL HA H 4.505 0.008 1 1305 129 129 VAL HB H 2.410 0.007 1 1306 129 129 VAL HG1 H 1.353 0.008 2 1307 129 129 VAL HG2 H 1.079 0.009 2 1308 129 129 VAL C C 175.666 0.007 1 1309 129 129 VAL CA C 61.509 0.036 1 1310 129 129 VAL CB C 33.856 0.060 1 1311 129 129 VAL CG1 C 20.637 0.132 2 1312 129 129 VAL CG2 C 19.930 0.091 2 1313 129 129 VAL N N 132.200 0.063 1 1314 130 130 GLU H H 9.658 0.007 1 1315 130 130 GLU HA H 3.859 0.007 1 1316 130 130 GLU HB2 H 2.234 0.004 2 1317 130 130 GLU HB3 H 2.039 0.003 2 1318 130 130 GLU HG2 H 2.330 0.005 2 1319 130 130 GLU HG3 H 2.312 0.000 2 1320 130 130 GLU C C 176.802 0.016 1 1321 130 130 GLU CA C 57.151 0.067 1 1322 130 130 GLU CB C 27.335 0.048 1 1323 130 130 GLU CG C 36.694 0.051 1 1324 130 130 GLU N N 128.312 0.053 1 1325 131 131 GLY H H 8.365 0.003 1 1326 131 131 GLY HA2 H 4.078 0.002 2 1327 131 131 GLY HA3 H 3.441 0.005 2 1328 131 131 GLY C C 173.329 0.009 1 1329 131 131 GLY CA C 45.404 0.019 1 1330 131 131 GLY N N 102.624 0.087 1 1331 132 132 LYS H H 7.911 0.004 1 1332 132 132 LYS HA H 4.552 0.022 1 1333 132 132 LYS HB2 H 1.835 0.002 2 1334 132 132 LYS HB3 H 1.712 0.006 2 1335 132 132 LYS HG2 H 1.305 0.000 2 1336 132 132 LYS HG3 H 1.291 0.004 2 1337 132 132 LYS HD2 H 1.656 0.000 2 1338 132 132 LYS HD3 H 1.648 0.000 2 1339 132 132 LYS HE2 H 2.994 0.000 2 1340 132 132 LYS HE3 H 2.990 0.000 2 1341 132 132 LYS C C 174.465 0.017 1 1342 132 132 LYS CA C 54.604 0.061 1 1343 132 132 LYS CB C 35.196 0.049 1 1344 132 132 LYS CG C 24.844 0.000 1 1345 132 132 LYS CD C 29.175 0.037 1 1346 132 132 LYS CE C 42.227 0.035 1 1347 132 132 LYS N N 122.555 0.103 1 1348 133 133 ASP H H 8.588 0.004 1 1349 133 133 ASP HA H 4.617 0.002 1 1350 133 133 ASP HB2 H 2.393 0.009 2 1351 133 133 ASP HB3 H 1.973 0.000 2 1352 133 133 ASP C C 175.147 0.001 1 1353 133 133 ASP CA C 54.863 0.089 1 1354 133 133 ASP CB C 39.892 0.062 1 1355 133 133 ASP N N 126.131 0.061 1 1356 134 134 GLU H H 8.787 0.003 1 1357 134 134 GLU HA H 4.330 0.005 1 1358 134 134 GLU HB2 H 2.540 0.000 2 1359 134 134 GLU HB3 H 2.469 0.000 2 1360 134 134 GLU HG2 H 2.029 0.000 2 1361 134 134 GLU HG3 H 1.976 0.000 2 1362 134 134 GLU C C 173.895 0.014 1 1363 134 134 GLU CA C 53.706 0.036 1 1364 134 134 GLU CB C 32.050 0.062 1 1365 134 134 GLU CG C 33.893 0.010 1 1366 134 134 GLU N N 126.143 0.041 1 1367 135 135 VAL H H 7.683 0.008 1 1368 135 135 VAL HA H 4.576 0.007 1 1369 135 135 VAL HB H 1.469 0.001 1 1370 135 135 VAL HG1 H 0.540 0.011 2 1371 135 135 VAL HG2 H 0.608 0.004 2 1372 135 135 VAL C C 175.001 0.010 1 1373 135 135 VAL CA C 60.406 0.038 1 1374 135 135 VAL CB C 33.379 0.040 1 1375 135 135 VAL CG1 C 21.651 0.094 2 1376 135 135 VAL CG2 C 20.514 0.051 2 1377 135 135 VAL N N 119.633 0.056 1 1378 136 136 PHE H H 8.882 0.005 1 1379 136 136 PHE HA H 4.624 0.010 1 1380 136 136 PHE HB2 H 2.681 0.004 2 1381 136 136 PHE HB3 H 2.206 0.003 2 1382 136 136 PHE HD1 H 6.669 0.000 1 1383 136 136 PHE HD2 H 6.669 0.000 1 1384 136 136 PHE C C 173.664 0.013 1 1385 136 136 PHE CA C 55.424 0.061 1 1386 136 136 PHE CB C 42.299 0.055 1 1387 136 136 PHE N N 124.952 0.053 1 1388 137 137 ALA H H 8.511 0.010 1 1389 137 137 ALA HA H 4.876 0.003 1 1390 137 137 ALA HB H 1.256 0.014 1 1391 137 137 ALA C C 179.339 0.014 1 1392 137 137 ALA CA C 50.938 0.100 1 1393 137 137 ALA CB C 19.424 0.120 1 1394 137 137 ALA N N 125.734 0.077 1 1395 138 138 LEU H H 9.059 0.003 1 1396 138 138 LEU HA H 3.818 0.006 1 1397 138 138 LEU HB2 H 1.746 0.001 2 1398 138 138 LEU HB3 H 1.489 0.000 2 1399 138 138 LEU HG H 1.506 0.018 1 1400 138 138 LEU HD1 H 0.761 0.005 2 1401 138 138 LEU HD2 H 0.749 0.011 2 1402 138 138 LEU C C 179.828 0.005 1 1403 138 138 LEU CA C 58.458 0.050 1 1404 138 138 LEU CB C 42.135 0.054 1 1405 138 138 LEU CG C 27.119 0.028 1 1406 138 138 LEU CD1 C 26.141 0.027 2 1407 138 138 LEU CD2 C 24.749 0.069 2 1408 138 138 LEU N N 125.750 0.061 1 1409 139 139 SER H H 8.476 0.004 1 1410 139 139 SER HA H 4.141 0.004 1 1411 139 139 SER HB2 H 3.916 0.001 2 1412 139 139 SER HB3 H 3.908 0.000 2 1413 139 139 SER C C 175.020 0.000 1 1414 139 139 SER CA C 60.453 0.009 1 1415 139 139 SER CB C 62.439 0.041 1 1416 139 139 SER N N 111.431 0.036 1 1417 140 140 ASN H H 8.211 0.005 1 1418 140 140 ASN HA H 5.126 0.006 1 1419 140 140 ASN HB2 H 3.064 0.005 2 1420 140 140 ASN HB3 H 2.628 0.005 2 1421 140 140 ASN C C 174.139 0.008 1 1422 140 140 ASN CA C 51.743 0.048 1 1423 140 140 ASN CB C 40.548 0.030 1 1424 140 140 ASN N N 118.768 0.082 1 1425 141 141 ILE H H 7.799 0.005 1 1426 141 141 ILE HA H 4.015 0.005 1 1427 141 141 ILE HB H 1.866 0.004 1 1428 141 141 ILE HG12 H 1.734 0.008 2 1429 141 141 ILE HG13 H 0.404 0.007 2 1430 141 141 ILE HG2 H 0.740 0.004 1 1431 141 141 ILE HD1 H 0.489 0.003 1 1432 141 141 ILE C C 175.351 0.000 1 1433 141 141 ILE CA C 62.583 0.042 1 1434 141 141 ILE CB C 38.365 0.078 1 1435 141 141 ILE CG1 C 26.978 0.073 1 1436 141 141 ILE CG2 C 18.697 0.078 1 1437 141 141 ILE CD1 C 13.351 0.035 1 1438 141 141 ILE N N 122.469 0.067 1 1439 142 142 GLN H H 9.413 0.007 1 1440 142 142 GLN HA H 4.059 0.009 1 1441 142 142 GLN HB2 H 1.749 0.008 2 1442 142 142 GLN HB3 H 1.726 0.003 2 1443 142 142 GLN HG2 H 2.185 0.007 2 1444 142 142 GLN HG3 H 2.154 0.003 2 1445 142 142 GLN HE21 H 7.436 0.002 1 1446 142 142 GLN HE22 H 6.724 0.002 1 1447 142 142 GLN C C 176.018 0.000 1 1448 142 142 GLN CA C 57.564 0.024 1 1449 142 142 GLN CB C 30.429 0.082 1 1450 142 142 GLN CG C 33.843 0.049 1 1451 142 142 GLN CD C 179.038 0.000 1 1452 142 142 GLN N N 130.524 0.150 1 1453 142 142 GLN NE2 N 111.213 0.017 1 1454 143 143 LYS H H 7.833 0.005 1 1455 143 143 LYS HA H 4.334 0.006 1 1456 143 143 LYS HB2 H 1.670 0.009 2 1457 143 143 LYS HB3 H 1.585 0.006 2 1458 143 143 LYS HG2 H 1.300 0.004 2 1459 143 143 LYS HG3 H 1.243 0.001 2 1460 143 143 LYS HD2 H 1.573 0.000 2 1461 143 143 LYS HD3 H 1.490 0.014 2 1462 143 143 LYS HE2 H 2.890 0.000 2 1463 143 143 LYS HE3 H 2.842 0.000 2 1464 143 143 LYS C C 172.422 0.005 1 1465 143 143 LYS CA C 55.835 0.026 1 1466 143 143 LYS CB C 36.061 0.045 1 1467 143 143 LYS CG C 24.254 0.035 1 1468 143 143 LYS CD C 29.281 0.025 1 1469 143 143 LYS CE C 42.023 0.062 1 1470 143 143 LYS N N 118.149 0.146 1 1471 144 144 ALA H H 8.297 0.004 1 1472 144 144 ALA HA H 5.136 0.009 1 1473 144 144 ALA HB H 1.173 0.014 1 1474 144 144 ALA C C 176.178 0.004 1 1475 144 144 ALA CA C 51.523 0.086 1 1476 144 144 ALA CB C 24.969 0.096 1 1477 144 144 ALA N N 125.815 0.092 1 1478 145 145 ASN H H 8.150 0.010 1 1479 145 145 ASN HA H 5.205 0.008 1 1480 145 145 ASN HB2 H 2.147 0.007 2 1481 145 145 ASN HB3 H 1.872 0.002 2 1482 145 145 ASN C C 173.975 0.011 1 1483 145 145 ASN CA C 52.468 0.039 1 1484 145 145 ASN CB C 42.785 0.033 1 1485 145 145 ASN N N 115.901 0.062 1 1486 146 146 LEU H H 8.229 0.008 1 1487 146 146 LEU HA H 4.380 0.007 1 1488 146 146 LEU HB2 H 1.358 0.013 2 1489 146 146 LEU HB3 H 1.289 0.005 2 1490 146 146 LEU HG H 1.111 0.002 1 1491 146 146 LEU HD1 H -0.125 0.003 2 1492 146 146 LEU HD2 H 0.360 0.005 2 1493 146 146 LEU C C 176.874 0.000 1 1494 146 146 LEU CA C 55.061 0.070 1 1495 146 146 LEU CB C 41.696 0.078 1 1496 146 146 LEU CG C 25.988 0.112 1 1497 146 146 LEU CD1 C 22.243 0.048 1 1498 146 146 LEU CD2 C 24.719 0.046 1 1499 146 146 LEU N N 120.513 0.123 1 1500 147 147 VAL H H 7.791 0.005 1 1501 147 147 VAL HA H 4.078 0.002 1 1502 147 147 VAL HB H 1.596 0.003 1 1503 147 147 VAL HG1 H 0.640 0.002 2 1504 147 147 VAL HG2 H 0.669 0.004 2 1505 147 147 VAL C C 174.506 0.000 1 1506 147 147 VAL CA C 59.376 0.037 1 1507 147 147 VAL CB C 32.707 0.087 1 1508 147 147 VAL CG1 C 21.478 0.036 2 1509 147 147 VAL CG2 C 20.337 0.027 2 1510 147 147 VAL N N 122.470 0.046 1 1511 148 148 PRO HA H 4.103 0.008 1 1512 148 148 PRO HB2 H 1.803 0.004 2 1513 148 148 PRO HB3 H 1.481 0.022 2 1514 148 148 PRO HG2 H 1.832 0.009 2 1515 148 148 PRO HG3 H 1.506 0.000 2 1516 148 148 PRO HD2 H 3.653 0.000 2 1517 148 148 PRO HD3 H 3.510 0.000 2 1518 148 148 PRO C C 175.762 0.000 1 1519 148 148 PRO CA C 62.414 0.019 1 1520 148 148 PRO CB C 32.355 0.038 1 1521 148 148 PRO CG C 27.029 0.059 1 1522 148 148 PRO CD C 50.815 0.082 1 1523 149 149 HIS H H 8.385 0.006 1 1524 149 149 HIS HA H 4.513 0.007 1 1525 149 149 HIS HB2 H 2.987 0.000 2 1526 149 149 HIS HB3 H 2.964 0.000 2 1527 149 149 HIS C C 174.306 0.045 1 1528 149 149 HIS CA C 55.176 0.038 1 1529 149 149 HIS CB C 30.119 0.039 1 1530 149 149 HIS N N 119.967 0.054 1 1531 150 150 PHE H H 8.105 0.010 1 1532 150 150 PHE HA H 4.509 0.006 1 1533 150 150 PHE HB2 H 3.058 0.000 2 1534 150 150 PHE HB3 H 2.831 0.002 2 1535 150 150 PHE HD1 H 7.143 0.000 1 1536 150 150 PHE HD2 H 7.143 0.000 1 1537 150 150 PHE C C 174.247 0.000 1 1538 150 150 PHE CA C 57.447 0.057 1 1539 150 150 PHE CB C 39.742 0.024 1 1540 150 150 PHE N N 121.979 0.179 1 1541 151 151 ALA H H 7.804 0.007 1 1542 151 151 ALA HA H 3.997 0.006 1 1543 151 151 ALA HB H 1.217 0.002 1 1544 151 151 ALA C C 174.248 0.000 1 1545 151 151 ALA CA C 53.727 0.035 1 1546 151 151 ALA CB C 20.330 0.037 1 1547 151 151 ALA N N 130.790 0.201 1 stop_ save_