data_6148 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments and Secondary Structure of hPrxVI, a 25 kDa 1-Cys Human Peroxiredoxin Enzyme ; _BMRB_accession_number 6148 _BMRB_flat_file_name bmr6148.str _Entry_type original _Submission_date 2004-03-17 _Accession_date 2004-03-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hong Eunmi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1102 "13C chemical shifts" 586 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-07-25 update author 'update chemical shift table' 2005-04-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: Resonance Assignments and Secondary Structure of hPrxVI, a 25 kDa 1-Cys Human Peroxiredoxin Enzyme' _Citation_status published _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 Hong Eunmi . . 2 Shin Joan . . 3 Kang Sang W. . 4 Tanaka Toshiyuki . . 5 Lee Weontae . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 31 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 267 _Page_last 268 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_Prxvi _Saveframe_category molecular_system _Mol_system_name 'Prx VI monomer' _Abbreviation_common 'Prx VI' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Prxvi monomer' $Prx_VI_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Prx_VI_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human Peroxidase' _Abbreviation_common 'Prx VI' _Molecular_mass 25034.99 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 224 _Mol_residue_sequence ; MPGGLLLGDVAPNFEANTTV GRIRFHDFLGDSWGILFSHP RDFTPVCTTELGRAAKLAPE FAKRNVKLIALSIDSVEDHL AWSKDINAYNCEEPTEKLPF PIIDDRNRELAILLGMLDPA EKDEKGMPVTARVVFVFGPD KKLKLSILYPATTGRNFDEI LRVVISLQLTAEKRVATPVD WKDGDSVMVLPTIPEEEAKK LFPKGVFTKELPSGKKYLRY TPQP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 PRO 3 3 GLY 4 4 GLY 5 5 LEU 6 6 LEU 7 7 LEU 8 8 GLY 9 9 ASP 10 10 VAL 11 11 ALA 12 12 PRO 13 13 ASN 14 14 PHE 15 15 GLU 16 16 ALA 17 17 ASN 18 18 THR 19 19 THR 20 20 VAL 21 21 GLY 22 22 ARG 23 23 ILE 24 24 ARG 25 25 PHE 26 26 HIS 27 27 ASP 28 28 PHE 29 29 LEU 30 30 GLY 31 31 ASP 32 32 SER 33 33 TRP 34 34 GLY 35 35 ILE 36 36 LEU 37 37 PHE 38 38 SER 39 39 HIS 40 40 PRO 41 41 ARG 42 42 ASP 43 43 PHE 44 44 THR 45 45 PRO 46 46 VAL 47 47 CYS 48 48 THR 49 49 THR 50 50 GLU 51 51 LEU 52 52 GLY 53 53 ARG 54 54 ALA 55 55 ALA 56 56 LYS 57 57 LEU 58 58 ALA 59 59 PRO 60 60 GLU 61 61 PHE 62 62 ALA 63 63 LYS 64 64 ARG 65 65 ASN 66 66 VAL 67 67 LYS 68 68 LEU 69 69 ILE 70 70 ALA 71 71 LEU 72 72 SER 73 73 ILE 74 74 ASP 75 75 SER 76 76 VAL 77 77 GLU 78 78 ASP 79 79 HIS 80 80 LEU 81 81 ALA 82 82 TRP 83 83 SER 84 84 LYS 85 85 ASP 86 86 ILE 87 87 ASN 88 88 ALA 89 89 TYR 90 90 ASN 91 91 CYS 92 92 GLU 93 93 GLU 94 94 PRO 95 95 THR 96 96 GLU 97 97 LYS 98 98 LEU 99 99 PRO 100 100 PHE 101 101 PRO 102 102 ILE 103 103 ILE 104 104 ASP 105 105 ASP 106 106 ARG 107 107 ASN 108 108 ARG 109 109 GLU 110 110 LEU 111 111 ALA 112 112 ILE 113 113 LEU 114 114 LEU 115 115 GLY 116 116 MET 117 117 LEU 118 118 ASP 119 119 PRO 120 120 ALA 121 121 GLU 122 122 LYS 123 123 ASP 124 124 GLU 125 125 LYS 126 126 GLY 127 127 MET 128 128 PRO 129 129 VAL 130 130 THR 131 131 ALA 132 132 ARG 133 133 VAL 134 134 VAL 135 135 PHE 136 136 VAL 137 137 PHE 138 138 GLY 139 139 PRO 140 140 ASP 141 141 LYS 142 142 LYS 143 143 LEU 144 144 LYS 145 145 LEU 146 146 SER 147 147 ILE 148 148 LEU 149 149 TYR 150 150 PRO 151 151 ALA 152 152 THR 153 153 THR 154 154 GLY 155 155 ARG 156 156 ASN 157 157 PHE 158 158 ASP 159 159 GLU 160 160 ILE 161 161 LEU 162 162 ARG 163 163 VAL 164 164 VAL 165 165 ILE 166 166 SER 167 167 LEU 168 168 GLN 169 169 LEU 170 170 THR 171 171 ALA 172 172 GLU 173 173 LYS 174 174 ARG 175 175 VAL 176 176 ALA 177 177 THR 178 178 PRO 179 179 VAL 180 180 ASP 181 181 TRP 182 182 LYS 183 183 ASP 184 184 GLY 185 185 ASP 186 186 SER 187 187 VAL 188 188 MET 189 189 VAL 190 190 LEU 191 191 PRO 192 192 THR 193 193 ILE 194 194 PRO 195 195 GLU 196 196 GLU 197 197 GLU 198 198 ALA 199 199 LYS 200 200 LYS 201 201 LEU 202 202 PHE 203 203 PRO 204 204 LYS 205 205 GLY 206 206 VAL 207 207 PHE 208 208 THR 209 209 LYS 210 210 GLU 211 211 LEU 212 212 PRO 213 213 SER 214 214 GLY 215 215 LYS 216 216 LYS 217 217 TYR 218 218 LEU 219 219 ARG 220 220 TYR 221 221 THR 222 222 PRO 223 223 GLN 224 224 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1PRX "Horf6 A Novel Human Peroxidase Enzyme" 100.00 224 99.11 99.11 8.31e-158 DBJ BAA03496 "KIAA0106 [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 DBJ BAE73101 "hypothetical protein [Macaca fascicularis]" 100.00 224 98.21 99.11 9.48e-158 DBJ BAF82041 "unnamed protein product [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 DBJ BAG09605 "peroxiredoxin-6 [synthetic construct]" 100.00 224 100.00 100.00 2.07e-160 EMBL CAH92320 "hypothetical protein [Pongo abelii]" 100.00 224 99.11 99.55 6.94e-159 GB AAH35857 "Peroxiredoxin 6 [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 GB AAH53550 "Peroxiredoxin 6 [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 GB ABB02185 "peroxiredoxin 6 [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 GB ACJ13706 "epididymis secretory sperm binding protein Li 128m [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 GB ADQ32658 "peroxiredoxin 6 [synthetic construct]" 100.00 224 100.00 100.00 2.07e-160 REF NP_001126361 "peroxiredoxin-6 [Pongo abelii]" 100.00 224 99.11 99.55 6.94e-159 REF NP_001253014 "peroxiredoxin-6 [Macaca mulatta]" 100.00 224 98.66 99.55 1.82e-158 REF NP_004896 "peroxiredoxin-6 [Homo sapiens]" 100.00 224 100.00 100.00 2.07e-160 REF XP_002760406 "PREDICTED: peroxiredoxin-6 [Callithrix jacchus]" 100.00 224 98.21 99.11 1.80e-156 REF XP_003258941 "PREDICTED: peroxiredoxin-6 [Nomascus leucogenys]" 100.00 224 99.11 100.00 1.18e-159 SP P30041 "RecName: Full=Peroxiredoxin-6; AltName: Full=1-Cys peroxiredoxin; Short=1-Cys PRX; AltName: Full=24 kDa protein; AltName: Full=" 100.00 224 100.00 100.00 2.07e-160 SP Q2PFL9 "RecName: Full=Peroxiredoxin-6; AltName: Full=Non-selenium glutathione peroxidase; Short=NSGPx [Macaca fascicularis]" 100.00 224 98.21 99.11 9.48e-158 SP Q5R7E0 "RecName: Full=Peroxiredoxin-6; AltName: Full=Non-selenium glutathione peroxidase; Short=NSGPx [Pongo abelii]" 100.00 224 99.11 99.55 6.94e-159 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Prx_VI_monomer Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Prx_VI_monomer 'recombinant technology' . . . . . 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 $Prx_VI_monomer 1.5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_15N-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label $sample_1 save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNcoCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label $sample_1 save_ save_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNcoCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCACB _Sample_label $sample_1 save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNcaCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaCO _Sample_label $sample_1 save_ save_CCCcoNH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCCcoNH-TOCSY _Sample_label $sample_1 save_ save_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_13C-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.01 pH temperature 303 0.01 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449519 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329112 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Prxvi monomer' _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 2 2 PRO CD C 49.415 0.400 1 2 2 2 PRO CA C 64.461 0.400 1 3 2 2 PRO HA H 4.199 0.020 1 4 2 2 PRO CB C 29.450 0.400 1 5 2 2 PRO HB2 H 2.158 0.020 1 6 2 2 PRO HB3 H 2.158 0.020 1 7 2 2 PRO CG C 26.793 0.400 1 8 2 2 PRO HG2 H 1.877 0.020 1 9 2 2 PRO HG3 H 1.877 0.020 1 10 2 2 PRO HD2 H 3.645 0.020 1 11 2 2 PRO HD3 H 3.645 0.020 1 12 3 3 GLY CA C 44.574 0.400 1 13 3 3 GLY HA2 H 3.944 0.020 2 14 3 3 GLY HA3 H 3.893 0.020 2 15 4 4 GLY N N 108.662 0.400 1 16 4 4 GLY H H 8.117 0.020 1 17 4 4 GLY CA C 44.174 0.400 1 18 4 4 GLY HA2 H 4.242 0.020 2 19 4 4 GLY HA3 H 3.917 0.020 2 20 5 5 LEU N N 121.672 0.400 1 21 5 5 LEU H H 8.427 0.020 1 22 5 5 LEU CA C 54.269 0.400 1 23 5 5 LEU HA H 4.520 0.020 1 24 5 5 LEU CB C 43.733 0.400 1 25 5 5 LEU HB2 H 1.516 0.020 1 26 5 5 LEU HB3 H 1.516 0.020 1 27 5 5 LEU CG C 26.706 0.400 1 28 5 5 LEU HG H 1.450 0.020 1 29 5 5 LEU HD1 H 0.556 0.020 2 30 5 5 LEU HD2 H 0.778 0.020 2 31 5 5 LEU CD1 C 24.950 0.400 1 32 5 5 LEU CD2 C 22.996 0.400 1 33 6 6 LEU N N 123.261 0.400 1 34 6 6 LEU H H 8.764 0.020 1 35 6 6 LEU CA C 51.883 0.400 1 36 6 6 LEU HA H 4.485 0.020 1 37 6 6 LEU CB C 41.490 0.400 1 38 6 6 LEU HB2 H 1.477 0.020 1 39 6 6 LEU HB3 H 1.477 0.020 1 40 6 6 LEU CG C 26.548 0.400 1 41 6 6 LEU HG H 1.527 0.020 1 42 6 6 LEU HD1 H 0.846 0.020 2 43 6 6 LEU HD2 H 0.894 0.020 2 44 6 6 LEU CD1 C 25.220 0.400 1 45 6 6 LEU CD2 C 22.447 0.400 1 46 7 7 LEU N N 117.930 0.400 1 47 7 7 LEU H H 7.871 0.020 1 48 7 7 LEU CA C 56.535 0.400 1 49 7 7 LEU HA H 3.932 0.020 1 50 7 7 LEU CB C 40.065 0.400 1 51 7 7 LEU HB2 H 1.339 0.020 2 52 7 7 LEU HB3 H 0.587 0.020 2 53 7 7 LEU CG C 25.947 0.400 1 54 7 7 LEU HG H 1.290 0.020 1 55 7 7 LEU HD1 H 0.027 0.020 2 56 7 7 LEU HD2 H -0.001 0.020 2 57 7 7 LEU CD1 C 24.706 0.400 1 58 7 7 LEU CD2 C 21.325 0.400 1 59 8 8 GLY N N 111.742 0.400 1 60 8 8 GLY H H 9.241 0.020 1 61 8 8 GLY CA C 44.428 0.400 1 62 8 8 GLY HA2 H 3.723 0.020 1 63 8 8 GLY HA3 H 3.723 0.020 1 64 9 9 ASP N N 122.573 0.400 1 65 9 9 ASP H H 8.200 0.020 1 66 9 9 ASP CA C 54.529 0.400 1 67 9 9 ASP HA H 4.655 0.020 1 68 9 9 ASP CB C 40.703 0.400 1 69 9 9 ASP HB2 H 2.958 0.020 2 70 9 9 ASP HB3 H 2.616 0.020 2 71 10 10 VAL N N 121.124 0.400 1 72 10 10 VAL H H 8.337 0.020 1 73 10 10 VAL CA C 61.117 0.400 1 74 10 10 VAL HA H 4.175 0.020 1 75 10 10 VAL CB C 31.966 0.400 1 76 10 10 VAL HB H 1.889 0.020 1 77 10 10 VAL HG1 H 0.995 0.020 2 78 10 10 VAL HG2 H 0.968 0.020 2 79 10 10 VAL CG1 C 21.902 0.400 1 80 10 10 VAL CG2 C 20.540 0.400 1 81 11 11 ALA N N 129.027 0.400 1 82 11 11 ALA H H 8.862 0.020 1 83 11 11 ALA CA C 49.553 0.400 1 84 11 11 ALA HA H 4.113 0.020 1 85 11 11 ALA HB H 0.687 0.020 1 86 11 11 ALA CB C 16.483 0.400 1 87 12 12 PRO CA C 62.267 0.400 1 88 12 12 PRO CB C 30.758 0.400 1 89 13 13 ASN N N 123.614 0.400 1 90 13 13 ASN H H 8.613 0.020 1 91 13 13 ASN CA C 49.897 0.400 1 92 13 13 ASN CB C 33.901 0.400 1 93 14 14 PHE N N 117.190 0.400 1 94 14 14 PHE H H 6.917 0.020 1 95 14 14 PHE CA C 55.333 0.400 1 96 14 14 PHE CB C 39.136 0.400 1 97 14 14 PHE HB2 H 3.208 0.020 2 98 14 14 PHE HB3 H 2.591 0.020 2 99 14 14 PHE HD1 H 6.751 0.020 1 100 14 14 PHE HE1 H 7.184 0.020 1 101 14 14 PHE HE2 H 7.184 0.020 1 102 14 14 PHE HD2 H 6.751 0.020 1 103 15 15 GLU N N 120.800 0.400 1 104 15 15 GLU H H 8.734 0.020 1 105 15 15 GLU CA C 53.934 0.400 1 106 15 15 GLU HA H 4.487 0.020 1 107 15 15 GLU CB C 31.239 0.400 1 108 15 15 GLU HB2 H 2.053 0.020 2 109 15 15 GLU HB3 H 1.931 0.020 2 110 15 15 GLU HG2 H 2.222 0.020 1 111 15 15 GLU HG3 H 2.222 0.020 1 112 16 16 ALA N N 124.349 0.400 1 113 16 16 ALA H H 8.693 0.020 1 114 16 16 ALA CA C 50.560 0.400 1 115 16 16 ALA HA H 4.807 0.020 1 116 16 16 ALA HB H 1.374 0.020 1 117 16 16 ALA CB C 23.390 0.400 1 118 17 17 ASN N N 120.734 0.400 1 119 17 17 ASN H H 9.612 0.020 1 120 17 17 ASN CA C 52.541 0.400 1 121 17 17 ASN HA H 5.031 0.020 1 122 17 17 ASN CB C 38.909 0.400 1 123 17 17 ASN HB2 H 2.879 0.020 1 124 17 17 ASN HB3 H 2.879 0.020 1 125 18 18 THR N N 113.740 0.400 1 126 18 18 THR H H 7.578 0.020 1 127 18 18 THR CA C 59.615 0.400 1 128 18 18 THR HA H 4.529 0.020 1 129 18 18 THR CB C 73.697 0.400 1 130 18 18 THR HB H 4.050 0.020 1 131 18 18 THR HG2 H 1.200 0.020 1 132 19 19 THR N N 110.290 0.400 1 133 19 19 THR H H 8.150 0.020 1 134 19 19 THR CA C 64.066 0.400 1 135 19 19 THR HA H 4.070 0.020 1 136 19 19 THR CB C 68.335 0.400 1 137 19 19 THR HB H 4.377 0.020 1 138 19 19 THR HG2 H 0.870 0.020 1 139 20 20 VAL N N 114.795 0.400 1 140 20 20 VAL H H 8.496 0.020 1 141 20 20 VAL CA C 59.716 0.400 1 142 20 20 VAL HA H 4.839 0.020 1 143 20 20 VAL CB C 30.161 0.400 1 144 20 20 VAL HB H 2.526 0.020 1 145 20 20 VAL HG1 H 0.876 0.020 2 146 20 20 VAL HG2 H 0.778 0.020 2 147 20 20 VAL CG1 C 20.432 0.400 1 148 20 20 VAL CG2 C 17.278 0.400 1 149 21 21 GLY N N 111.444 0.400 1 150 21 21 GLY H H 7.537 0.020 1 151 21 21 GLY CA C 42.937 0.400 1 152 21 21 GLY HA2 H 3.977 0.020 1 153 21 21 GLY HA3 H 3.977 0.020 1 154 22 22 ARG N N 124.448 0.400 1 155 22 22 ARG H H 8.803 0.020 1 156 22 22 ARG CA C 56.525 0.400 1 157 22 22 ARG HA H 5.121 0.020 1 158 22 22 ARG CB C 29.536 0.400 1 159 22 22 ARG HB2 H 1.830 0.020 2 160 22 22 ARG HB3 H 1.801 0.020 2 161 22 22 ARG CG C 26.954 0.400 1 162 22 22 ARG HG2 H 1.631 0.020 2 163 22 22 ARG HG3 H 1.550 0.020 2 164 23 23 ILE N N 120.180 0.400 1 165 23 23 ILE H H 8.834 0.020 1 166 23 23 ILE CA C 58.422 0.400 1 167 23 23 ILE HA H 4.877 0.020 1 168 23 23 ILE CB C 42.226 0.400 1 169 23 23 ILE HB H 1.776 0.020 1 170 23 23 ILE HG2 H 0.767 0.020 1 171 23 23 ILE CG2 C 17.428 0.400 1 172 23 23 ILE CG1 C 25.525 0.400 1 173 23 23 ILE HG12 H 1.325 0.020 2 174 23 23 ILE HG13 H 0.926 0.020 2 175 23 23 ILE HD1 H 0.504 0.020 1 176 23 23 ILE CD1 C 14.084 0.400 1 177 24 24 ARG N N 122.682 0.400 1 178 24 24 ARG H H 8.349 0.020 1 179 24 24 ARG CA C 53.996 0.400 1 180 24 24 ARG HA H 5.181 0.020 1 181 24 24 ARG CB C 30.418 0.400 1 182 24 24 ARG HB2 H 1.921 0.020 2 183 24 24 ARG HB3 H 1.624 0.020 2 184 24 24 ARG CG C 26.396 0.400 1 185 24 24 ARG HG2 H 1.610 0.020 2 186 24 24 ARG HG3 H 1.550 0.020 2 187 25 25 PHE N N 126.760 0.400 1 188 25 25 PHE H H 9.216 0.020 1 189 25 25 PHE CA C 60.870 0.400 1 190 25 25 PHE HA H 4.108 0.020 1 191 25 25 PHE CB C 37.921 0.400 1 192 25 25 PHE HD1 H 6.949 0.020 1 193 25 25 PHE HD2 H 6.949 0.020 1 194 26 26 HIS N N 114.278 0.400 1 195 26 26 HIS H H 9.238 0.020 1 196 26 26 HIS CA C 58.665 0.400 1 197 26 26 HIS HA H 4.733 0.020 1 198 26 26 HIS CB C 30.038 0.400 1 199 26 26 HIS HB2 H 2.836 0.020 2 200 26 26 HIS HB3 H 2.687 0.020 2 201 27 27 ASP N N 120.664 0.400 1 202 27 27 ASP H H 7.040 0.020 1 203 27 27 ASP CA C 56.239 0.400 1 204 27 27 ASP HA H 4.360 0.020 1 205 27 27 ASP CB C 39.742 0.400 1 206 27 27 ASP HB2 H 2.929 0.020 2 207 28 28 PHE N N 121.660 0.400 1 208 28 28 PHE H H 8.269 0.020 1 209 28 28 PHE CA C 60.219 0.400 1 210 28 28 PHE HA H 4.173 0.020 1 211 28 28 PHE CB C 39.163 0.400 1 212 28 28 PHE HB2 H 3.163 0.020 2 213 28 28 PHE HB3 H 3.127 0.020 2 214 28 28 PHE HD1 H 7.168 0.020 1 215 28 28 PHE HD2 H 7.168 0.020 1 216 29 29 LEU N N 117.865 0.400 1 217 29 29 LEU H H 7.690 0.020 1 218 29 29 LEU CA C 56.523 0.400 1 219 29 29 LEU HA H 3.429 0.020 1 220 29 29 LEU CB C 40.773 0.400 1 221 29 29 LEU HB2 H 1.093 0.020 1 222 29 29 LEU HB3 H 1.093 0.020 1 223 29 29 LEU CG C 25.630 0.400 1 224 29 29 LEU HG H 1.007 0.020 1 225 29 29 LEU HD1 H -0.082 0.020 2 226 29 29 LEU HD2 H 0.509 0.020 2 227 29 29 LEU CD1 C 23.799 0.400 1 228 29 29 LEU CD2 C 22.295 0.400 1 229 30 30 GLY N N 107.322 0.400 1 230 30 30 GLY H H 7.676 0.020 1 231 30 30 GLY CA C 46.589 0.400 1 232 30 30 GLY HA2 H 3.710 0.020 2 233 30 30 GLY HA3 H 3.592 0.020 2 234 31 31 ASP N N 126.816 0.400 1 235 31 31 ASP H H 8.407 0.020 1 236 31 31 ASP CA C 52.951 0.400 1 237 31 31 ASP HA H 4.610 0.020 1 238 31 31 ASP CB C 39.998 0.400 1 239 32 32 SER N N 116.386 0.400 1 240 32 32 SER H H 7.888 0.020 1 241 32 32 SER CA C 58.772 0.400 1 242 32 32 SER HA H 4.278 0.020 1 243 32 32 SER CB C 63.819 0.400 1 244 32 32 SER HB3 H 3.823 0.020 2 245 33 33 TRP N N 120.284 0.400 1 246 33 33 TRP H H 8.255 0.020 1 247 33 33 TRP CA C 58.292 0.400 1 248 33 33 TRP HA H 3.793 0.020 1 249 33 33 TRP CB C 29.267 0.400 1 250 33 33 TRP HB2 H 3.278 0.020 1 251 33 33 TRP HB3 H 3.278 0.020 1 252 33 33 TRP NE1 N 129.432 0.400 1 253 33 33 TRP HE1 H 11.388 0.020 1 254 33 33 TRP HZ2 H 7.476 0.020 1 255 34 34 GLY N N 107.600 0.400 1 256 34 34 GLY H H 9.299 0.020 1 257 34 34 GLY CA C 45.099 0.400 1 258 34 34 GLY HA2 H 3.432 0.020 2 259 34 34 GLY HA3 H 3.275 0.020 2 260 35 35 ILE N N 123.558 0.400 1 261 35 35 ILE H H 9.049 0.020 1 262 35 35 ILE CA C 60.035 0.400 1 263 35 35 ILE HA H 4.405 0.020 1 264 35 35 ILE CB C 39.021 0.400 1 265 35 35 ILE HB H 1.592 0.020 1 266 35 35 ILE HG2 H 0.155 0.020 1 267 35 35 ILE CG2 C 15.817 0.400 1 268 35 35 ILE CG1 C 25.651 0.400 1 269 35 35 ILE HG12 H 1.228 0.020 2 270 35 35 ILE HG13 H 0.766 0.020 2 271 35 35 ILE HD1 H 0.564 0.020 1 272 35 35 ILE CD1 C 12.437 0.400 1 273 36 36 LEU N N 109.734 0.400 1 274 36 36 LEU H H 8.154 0.020 1 275 36 36 LEU CA C 59.657 0.400 1 276 36 36 LEU HA H 4.664 0.020 1 277 36 36 LEU CB C 37.102 0.400 1 278 36 36 LEU HB2 H 1.707 0.020 1 279 36 36 LEU HB3 H 1.707 0.020 1 280 36 36 LEU HD1 H 0.993 0.020 2 281 36 36 LEU HD2 H 0.437 0.020 2 282 36 36 LEU CD2 C 22.110 0.400 1 283 37 37 PHE N N 126.125 0.400 1 284 37 37 PHE H H 9.270 0.020 1 285 37 37 PHE CA C 53.018 0.400 1 286 37 37 PHE HA H 4.355 0.020 1 287 37 37 PHE CB C 41.130 0.400 1 288 37 37 PHE HB2 H 2.671 0.020 1 289 37 37 PHE HB3 H 2.671 0.020 1 290 37 37 PHE HD1 H 6.980 0.020 1 291 37 37 PHE HE1 H 7.106 0.020 1 292 37 37 PHE HE2 H 7.106 0.020 1 293 37 37 PHE HD2 H 6.980 0.020 1 294 38 38 SER N N 115.472 0.400 1 295 38 38 SER H H 8.909 0.020 1 296 38 38 SER CA C 55.943 0.400 1 297 38 38 SER HA H 4.309 0.020 1 298 38 38 SER CB C 68.576 0.400 1 299 38 38 SER HB2 H 3.885 0.020 1 300 38 38 SER HB3 H 3.885 0.020 1 301 39 39 HIS N N 120.310 0.400 1 302 39 39 HIS H H 8.620 0.020 1 303 39 39 HIS CA C 54.426 0.400 1 304 39 39 HIS HA H 4.421 0.020 1 305 39 39 HIS CB C 30.000 0.400 1 306 39 39 HIS HB2 H 2.668 0.020 1 307 39 39 HIS HB3 H 2.668 0.020 1 308 40 40 PRO CA C 64.854 0.400 1 309 40 40 PRO HA H 4.402 0.020 1 310 40 40 PRO CB C 32.179 0.400 1 311 40 40 PRO HB2 H 2.263 0.020 2 312 40 40 PRO HB3 H 1.996 0.020 2 313 40 40 PRO HG2 H 1.961 0.020 1 314 40 40 PRO HG3 H 1.961 0.020 1 315 41 41 ARG N N 118.018 0.400 1 316 41 41 ARG H H 8.636 0.020 1 317 41 41 ARG CA C 53.995 0.400 1 318 41 41 ARG HA H 3.944 0.020 1 319 41 41 ARG CB C 32.907 0.400 1 320 41 41 ARG HB2 H 1.791 0.020 1 321 41 41 ARG HB3 H 1.791 0.020 1 322 41 41 ARG HG2 H 1.540 0.020 1 323 41 41 ARG HG3 H 1.540 0.020 1 324 41 41 ARG HD2 H 2.949 0.020 1 325 41 41 ARG HD3 H 2.949 0.020 1 326 42 42 ASP N N 128.420 0.400 1 327 42 42 ASP H H 8.945 0.020 1 328 42 42 ASP CA C 52.115 0.400 1 329 42 42 ASP HA H 4.661 0.020 1 330 42 42 ASP CB C 36.366 0.400 1 331 42 42 ASP HB2 H 2.637 0.020 2 332 43 43 PHE N N 125.230 0.400 1 333 43 43 PHE H H 9.067 0.020 1 334 43 43 PHE CA C 55.840 0.400 1 335 43 43 PHE HA H 4.588 0.020 1 336 43 43 PHE CB C 44.386 0.400 1 337 43 43 PHE HE1 H 7.431 0.020 1 338 43 43 PHE HE2 H 7.431 0.020 1 339 44 44 THR N N 121.390 0.400 1 340 44 44 THR H H 9.379 0.020 1 341 44 44 THR CA C 56.346 0.400 1 342 44 44 THR HA H 3.768 0.020 1 343 44 44 THR CB C 67.954 0.400 1 344 44 44 THR HB H 3.547 0.020 1 345 44 44 THR HG2 H 0.686 0.020 1 346 44 44 THR CG2 C 24.195 0.400 1 347 45 45 PRO CA C 64.028 0.400 1 348 45 45 PRO HA H 4.199 0.020 1 349 45 45 PRO CB C 31.292 0.400 1 350 45 45 PRO HB2 H 1.853 0.020 2 351 45 45 PRO HB3 H 2.183 0.020 2 352 45 45 PRO CG C 26.447 0.400 1 353 45 45 PRO HG2 H 1.911 0.020 1 354 45 45 PRO HG3 H 1.911 0.020 1 355 45 45 PRO HD2 H 3.530 0.020 1 356 45 45 PRO HD3 H 3.530 0.020 1 357 46 46 VAL N N 118.690 0.400 1 358 46 46 VAL H H 8.988 0.020 1 359 46 46 VAL CA C 64.197 0.400 1 360 46 46 VAL HA H 3.960 0.020 1 361 46 46 VAL CB C 30.290 0.400 1 362 46 46 VAL HB H 1.771 0.020 1 363 46 46 VAL HG1 H 0.851 0.020 2 364 46 46 VAL HG2 H 0.975 0.020 2 365 46 46 VAL CG1 C 22.611 0.400 1 366 46 46 VAL CG2 C 18.013 0.400 1 367 47 47 CYS N N 115.211 0.400 1 368 47 47 CYS H H 7.169 0.020 1 369 47 47 CYS CA C 52.495 0.400 1 370 47 47 CYS HA H 4.725 0.020 1 371 47 47 CYS CB C 38.853 0.400 1 372 47 47 CYS HB2 H 2.867 0.020 2 373 47 47 CYS HB3 H 2.554 0.020 2 374 48 48 THR N N 113.759 0.400 1 375 48 48 THR H H 7.594 0.020 1 376 48 48 THR CA C 59.578 0.400 1 377 48 48 THR HA H 5.790 0.020 1 378 48 48 THR CB C 73.614 0.400 1 379 48 48 THR HB H 4.136 0.020 1 380 48 48 THR HG2 H 1.170 0.020 1 381 48 48 THR CG2 C 21.639 0.400 1 382 49 49 THR N N 110.429 0.400 1 383 49 49 THR H H 8.162 0.020 1 384 49 49 THR CA C 64.179 0.400 1 385 49 49 THR HA H 4.064 0.020 1 386 49 49 THR CB C 68.435 0.400 1 387 49 49 THR HB H 4.517 0.020 1 388 49 49 THR HG2 H 1.611 0.020 1 389 49 49 THR CG2 C 26.185 0.400 1 390 50 50 GLU N N 122.683 0.400 1 391 50 50 GLU H H 8.183 0.020 1 392 50 50 GLU CA C 59.150 0.400 1 393 50 50 GLU HA H 4.431 0.020 1 394 50 50 GLU CB C 31.438 0.400 1 395 50 50 GLU HB2 H 2.044 0.020 1 396 50 50 GLU HB3 H 2.044 0.020 1 397 50 50 GLU CG C 35.236 0.400 1 398 50 50 GLU HG2 H 2.299 0.020 1 399 50 50 GLU HG3 H 2.299 0.020 1 400 51 51 LEU N N 122.244 0.400 1 401 51 51 LEU H H 8.597 0.020 1 402 51 51 LEU CA C 58.753 0.400 1 403 51 51 LEU HA H 4.508 0.020 1 404 51 51 LEU CB C 38.683 0.400 1 405 51 51 LEU HB2 H 1.632 0.020 2 406 51 51 LEU HB3 H 1.313 0.020 2 407 51 51 LEU CG C 32.411 0.400 1 408 51 51 LEU HG H 1.791 0.020 1 409 51 51 LEU HD1 H 0.692 0.020 2 410 51 51 LEU HD2 H 0.877 0.020 2 411 51 51 LEU CD1 C 23.813 0.400 1 412 51 51 LEU CD2 C 23.581 0.400 1 413 52 52 GLY N N 106.739 0.400 1 414 52 52 GLY H H 8.274 0.020 1 415 52 52 GLY CA C 46.380 0.400 1 416 52 52 GLY HA2 H 4.015 0.020 2 417 52 52 GLY HA3 H 3.745 0.020 2 418 53 53 ARG N N 125.056 0.400 1 419 53 53 ARG H H 7.664 0.020 1 420 53 53 ARG CA C 57.148 0.400 1 421 53 53 ARG HA H 4.199 0.020 1 422 53 53 ARG CB C 28.745 0.400 1 423 53 53 ARG HB2 H 1.876 0.020 2 424 53 53 ARG HB3 H 1.814 0.020 2 425 53 53 ARG HG2 H 1.425 0.020 1 426 53 53 ARG HG3 H 1.425 0.020 1 427 53 53 ARG HD2 H 3.234 0.020 1 428 53 53 ARG HD3 H 3.234 0.020 1 429 54 54 ALA N N 121.657 0.400 1 430 54 54 ALA H H 8.462 0.020 1 431 54 54 ALA CA C 54.789 0.400 1 432 54 54 ALA HA H 4.281 0.020 1 433 54 54 ALA HB H 1.632 0.020 1 434 54 54 ALA CB C 17.571 0.400 1 435 55 55 ALA N N 117.780 0.400 1 436 55 55 ALA H H 8.314 0.020 1 437 55 55 ALA CA C 55.186 0.400 1 438 55 55 ALA HA H 4.146 0.020 1 439 55 55 ALA HB H 1.458 0.020 1 440 55 55 ALA CB C 17.048 0.400 1 441 56 56 LYS N N 118.154 0.400 1 442 56 56 LYS H H 7.649 0.020 1 443 56 56 LYS CA C 57.041 0.400 1 444 56 56 LYS HA H 4.046 0.020 1 445 56 56 LYS CB C 31.174 0.400 1 446 56 56 LYS HB2 H 1.894 0.020 2 447 56 56 LYS HB3 H 1.837 0.020 2 448 56 56 LYS CG C 24.804 0.400 1 449 56 56 LYS HG2 H 1.543 0.020 2 450 56 56 LYS HG3 H 1.373 0.020 2 451 56 56 LYS HD2 H 1.697 0.020 1 452 56 56 LYS HD3 H 1.697 0.020 1 453 56 56 LYS HE2 H 2.915 0.020 1 454 56 56 LYS HE3 H 2.915 0.020 1 455 57 57 LEU N N 118.201 0.400 1 456 57 57 LEU H H 8.147 0.020 1 457 57 57 LEU CA C 54.315 0.400 1 458 57 57 LEU HA H 4.382 0.020 1 459 57 57 LEU CB C 43.499 0.400 1 460 57 57 LEU HB2 H 1.664 0.020 1 461 57 57 LEU HB3 H 1.664 0.020 1 462 57 57 LEU CG C 27.124 0.400 1 463 57 57 LEU HG H 1.584 0.020 1 464 57 57 LEU HD1 H 0.888 0.020 2 465 57 57 LEU HD2 H 0.805 0.020 2 466 57 57 LEU CD1 C 25.933 0.400 1 467 57 57 LEU CD2 C 22.502 0.400 1 468 58 58 ALA N N 125.452 0.400 1 469 58 58 ALA H H 7.966 0.020 1 470 58 58 ALA CA C 57.360 0.400 1 471 58 58 ALA HA H 4.502 0.020 1 472 58 58 ALA HB H 1.862 0.020 1 473 58 58 ALA CB C 15.704 0.400 1 474 59 59 PRO CA C 59.729 0.400 1 475 60 60 GLU N N 109.815 0.400 1 476 60 60 GLU H H 8.331 0.020 1 477 60 60 GLU CA C 64.254 0.400 1 478 60 60 GLU CB C 29.828 0.400 1 479 60 60 GLU HB2 H 1.797 0.020 1 480 60 60 GLU HB3 H 1.797 0.020 1 481 61 61 PHE N N 119.356 0.400 1 482 61 61 PHE H H 7.466 0.020 1 483 61 61 PHE CA C 57.976 0.400 1 484 61 61 PHE HA H 4.615 0.020 1 485 61 61 PHE CB C 39.978 0.400 1 486 61 61 PHE HB2 H 3.409 0.020 2 487 61 61 PHE HB3 H 3.194 0.020 2 488 61 61 PHE HD1 H 7.054 0.020 1 489 61 61 PHE HD2 H 7.054 0.020 1 490 62 62 ALA N N 123.704 0.400 1 491 62 62 ALA H H 8.874 0.020 1 492 62 62 ALA CA C 54.974 0.400 1 493 62 62 ALA HA H 4.310 0.020 1 494 62 62 ALA HB H 1.618 0.020 1 495 62 62 ALA CB C 18.413 0.400 1 496 63 63 LYS N N 118.932 0.400 1 497 63 63 LYS H H 7.828 0.020 1 498 63 63 LYS CA C 58.129 0.400 1 499 63 63 LYS HA H 4.209 0.020 1 500 63 63 LYS CB C 31.029 0.400 1 501 63 63 LYS HB2 H 1.968 0.020 2 502 63 63 LYS HB3 H 1.870 0.020 2 503 63 63 LYS HG2 H 1.492 0.020 2 504 63 63 LYS HG3 H 1.415 0.020 2 505 63 63 LYS HD2 H 1.597 0.020 1 506 63 63 LYS HD3 H 1.597 0.020 1 507 63 63 LYS HE2 H 2.867 0.020 1 508 63 63 LYS HE3 H 2.867 0.020 1 509 64 64 ARG N N 118.873 0.400 1 510 64 64 ARG H H 7.141 0.020 1 511 64 64 ARG CA C 54.526 0.400 1 512 64 64 ARG HA H 4.404 0.020 1 513 64 64 ARG CB C 28.186 0.400 1 514 64 64 ARG HB2 H 1.604 0.020 1 515 64 64 ARG HB3 H 1.604 0.020 1 516 65 65 ASN N N 116.387 0.400 1 517 65 65 ASN H H 8.107 0.020 1 518 65 65 ASN CA C 53.877 0.400 1 519 65 65 ASN HA H 4.474 0.020 1 520 65 65 ASN CB C 36.392 0.400 1 521 65 65 ASN HB2 H 3.602 0.020 2 522 65 65 ASN HB3 H 2.688 0.020 2 523 66 66 VAL N N 116.986 0.400 1 524 66 66 VAL H H 7.728 0.020 1 525 66 66 VAL CA C 60.009 0.400 1 526 66 66 VAL HA H 4.590 0.020 1 527 66 66 VAL CB C 32.022 0.400 1 528 66 66 VAL HB H 2.105 0.020 1 529 66 66 VAL HG1 H 0.760 0.020 2 530 66 66 VAL HG2 H 0.739 0.020 2 531 66 66 VAL CG1 C 21.241 0.400 1 532 66 66 VAL CG2 C 20.887 0.400 1 533 67 67 LYS N N 127.137 0.400 1 534 67 67 LYS H H 8.732 0.020 1 535 67 67 LYS CA C 55.291 0.400 1 536 67 67 LYS CB C 33.823 0.400 1 537 68 68 LEU N N 122.922 0.400 1 538 68 68 LEU H H 7.988 0.020 1 539 68 68 LEU CA C 53.965 0.400 1 540 68 68 LEU HA H 5.188 0.020 1 541 68 68 LEU CB C 45.364 0.400 1 542 68 68 LEU HB2 H 1.063 0.020 2 543 68 68 LEU CG C 27.799 0.400 1 544 68 68 LEU HG H 1.392 0.020 1 545 68 68 LEU HD1 H 0.527 0.020 2 546 68 68 LEU HD2 H 0.112 0.020 2 547 68 68 LEU CD1 C 24.337 0.400 1 548 68 68 LEU CD2 C 23.199 0.400 1 549 69 69 ILE N N 117.970 0.400 1 550 69 69 ILE H H 7.661 0.020 1 551 69 69 ILE CA C 61.922 0.400 1 552 69 69 ILE HA H 4.471 0.020 1 553 69 69 ILE CB C 37.169 0.400 1 554 69 69 ILE HB H 2.082 0.020 1 555 69 69 ILE HG2 H 1.146 0.020 1 556 69 69 ILE CG2 C 14.648 0.400 1 557 69 69 ILE CG1 C 27.632 0.400 1 558 69 69 ILE HG12 H 1.535 0.020 1 559 69 69 ILE HG13 H 1.535 0.020 1 560 69 69 ILE HD1 H 0.306 0.020 1 561 69 69 ILE CD1 C 13.916 0.400 1 562 70 70 ALA N N 123.847 0.400 1 563 70 70 ALA H H 8.886 0.020 1 564 70 70 ALA CA C 55.186 0.400 1 565 70 70 ALA HA H 4.271 0.020 1 566 70 70 ALA HB H 1.625 0.020 1 567 70 70 ALA CB C 17.552 0.400 1 568 71 71 LEU N N 121.900 0.400 1 569 71 71 LEU H H 8.443 0.020 1 570 71 71 LEU HB2 H 1.721 0.020 1 571 71 71 LEU HB3 H 1.721 0.020 1 572 71 71 LEU HD1 H 0.516 0.020 2 573 71 71 LEU HD2 H 0.104 0.020 2 574 72 72 SER N N 100.850 0.400 1 575 72 72 SER H H 6.322 0.020 1 576 72 72 SER CA C 59.745 0.400 1 577 72 72 SER HA H 4.431 0.020 1 578 72 72 SER CB C 68.243 0.400 1 579 73 73 ILE N N 123.478 0.400 1 580 73 73 ILE H H 7.031 0.020 1 581 73 73 ILE CA C 58.550 0.400 1 582 73 73 ILE HA H 4.371 0.020 1 583 73 73 ILE CB C 37.379 0.400 1 584 73 73 ILE HB H 1.861 0.020 1 585 73 73 ILE HG2 H 1.011 0.020 1 586 73 73 ILE CG2 C 16.423 0.400 1 587 73 73 ILE CG1 C 27.079 0.400 1 588 73 73 ILE HG12 H 1.594 0.020 2 589 73 73 ILE HG13 H 1.213 0.020 2 590 73 73 ILE HD1 H 1.061 0.020 1 591 73 73 ILE CD1 C 12.911 0.400 1 592 74 74 ASP N N 119.975 0.400 1 593 74 74 ASP H H 7.947 0.020 1 594 74 74 ASP CA C 54.270 0.400 1 595 74 74 ASP HA H 4.412 0.020 1 596 74 74 ASP CB C 43.020 0.400 1 597 74 74 ASP HB2 H 2.613 0.020 2 598 74 74 ASP HB3 H 2.504 0.020 2 599 75 75 SER N N 109.365 0.400 1 600 75 75 SER H H 7.865 0.020 1 601 75 75 SER CA C 56.196 0.400 1 602 75 75 SER HA H 4.403 0.020 1 603 75 75 SER CB C 65.701 0.400 1 604 75 75 SER HB2 H 4.265 0.020 2 605 75 75 SER HB3 H 3.876 0.020 2 606 76 76 VAL N N 118.862 0.400 1 607 76 76 VAL H H 8.273 0.020 1 608 76 76 VAL CA C 66.749 0.400 1 609 76 76 VAL HA H 3.500 0.020 1 610 76 76 VAL CB C 31.006 0.400 1 611 76 76 VAL HB H 2.046 0.020 1 612 76 76 VAL HG1 H 1.083 0.020 2 613 76 76 VAL HG2 H 0.957 0.020 2 614 76 76 VAL CG1 C 23.086 0.400 1 615 76 76 VAL CG2 C 21.223 0.400 1 616 77 77 GLU N N 119.162 0.400 1 617 77 77 GLU H H 8.558 0.020 1 618 77 77 GLU CA C 60.494 0.400 1 619 77 77 GLU HA H 3.950 0.020 1 620 77 77 GLU CB C 27.981 0.400 1 621 77 77 GLU HB2 H 2.046 0.020 2 622 77 77 GLU HB3 H 1.952 0.020 2 623 77 77 GLU CG C 36.909 0.400 1 624 77 77 GLU HG2 H 2.438 0.020 2 625 77 77 GLU HG3 H 2.265 0.020 2 626 78 78 ASP N N 123.904 0.400 1 627 78 78 ASP H H 7.796 0.020 1 628 78 78 ASP CA C 57.367 0.400 1 629 78 78 ASP HA H 4.733 0.020 1 630 78 78 ASP CB C 39.195 0.400 1 631 78 78 ASP HB2 H 2.847 0.020 2 632 78 78 ASP HB3 H 2.598 0.020 2 633 79 79 HIS N N 119.667 0.400 1 634 79 79 HIS H H 8.698 0.020 1 635 79 79 HIS CA C 56.858 0.400 1 636 79 79 HIS HA H 4.655 0.020 1 637 79 79 HIS CB C 30.429 0.400 1 638 79 79 HIS HB2 H 2.943 0.020 1 639 79 79 HIS HB3 H 2.943 0.020 1 640 80 80 LEU N N 122.938 0.400 1 641 80 80 LEU H H 8.729 0.020 1 642 80 80 LEU CA C 58.001 0.400 1 643 80 80 LEU HA H 4.012 0.020 1 644 80 80 LEU CB C 40.705 0.400 1 645 80 80 LEU HB2 H 1.968 0.020 2 646 80 80 LEU HB3 H 1.551 0.020 2 647 80 80 LEU CG C 26.529 0.400 1 648 80 80 LEU HG H 1.411 0.020 1 649 80 80 LEU HD1 H 0.602 0.020 2 650 80 80 LEU HD2 H 0.187 0.020 2 651 80 80 LEU CD1 C 25.029 0.400 1 652 80 80 LEU CD2 C 21.179 0.400 1 653 81 81 ALA N N 121.087 0.400 1 654 81 81 ALA H H 7.621 0.020 1 655 81 81 ALA CA C 54.903 0.400 1 656 81 81 ALA HA H 4.340 0.020 1 657 81 81 ALA HB H 1.874 0.020 1 658 81 81 ALA CB C 18.361 0.400 1 659 82 82 TRP N N 122.552 0.400 1 660 82 82 TRP H H 9.692 0.020 1 661 82 82 TRP CA C 58.314 0.400 1 662 82 82 TRP CB C 25.946 0.400 1 663 82 82 TRP HB2 H 2.930 0.020 1 664 82 82 TRP HB3 H 2.930 0.020 1 665 82 82 TRP NE1 N 133.447 0.400 1 666 82 82 TRP HE3 H 7.126 0.020 1 667 82 82 TRP HE1 H 10.875 0.020 1 668 83 83 SER CA C 59.751 0.400 1 669 83 83 SER CB C 62.114 0.400 1 670 83 83 SER HB2 H 4.472 0.020 1 671 83 83 SER HB3 H 4.472 0.020 1 672 84 84 LYS N N 119.678 0.400 1 673 84 84 LYS H H 7.154 0.020 1 674 84 84 LYS CA C 59.463 0.400 1 675 84 84 LYS HA H 4.223 0.020 1 676 84 84 LYS CB C 31.614 0.400 1 677 84 84 LYS HB2 H 2.015 0.020 2 678 84 84 LYS HB3 H 1.898 0.020 2 679 84 84 LYS HG2 H 1.578 0.020 1 680 84 84 LYS HG3 H 1.578 0.020 1 681 84 84 LYS HD2 H 1.677 0.020 1 682 84 84 LYS HD3 H 1.677 0.020 1 683 84 84 LYS HE2 H 3.035 0.020 1 684 84 84 LYS HE3 H 3.035 0.020 1 685 85 85 ASP N N 120.344 0.400 1 686 85 85 ASP H H 7.008 0.020 1 687 85 85 ASP CA C 56.819 0.400 1 688 85 85 ASP HA H 4.553 0.020 1 689 85 85 ASP CB C 39.595 0.400 1 690 85 85 ASP HB2 H 3.259 0.020 2 691 85 85 ASP HB3 H 3.140 0.020 2 692 86 86 ILE N N 121.716 0.400 1 693 86 86 ILE H H 7.870 0.020 1 694 86 86 ILE CA C 65.213 0.400 1 695 86 86 ILE HA H 3.566 0.020 1 696 86 86 ILE CB C 36.887 0.400 1 697 86 86 ILE HB H 2.162 0.020 1 698 86 86 ILE HG2 H 1.096 0.020 1 699 86 86 ILE CG2 C 17.709 0.400 1 700 86 86 ILE CG1 C 28.747 0.400 1 701 86 86 ILE HG12 H 1.813 0.020 1 702 86 86 ILE HG13 H 1.813 0.020 1 703 86 86 ILE HD1 H 0.711 0.020 1 704 86 86 ILE CD1 C 13.135 0.400 1 705 87 87 ASN N N 117.070 0.400 1 706 87 87 ASN H H 8.108 0.020 1 707 87 87 ASN CA C 56.358 0.400 1 708 87 87 ASN HA H 4.752 0.020 1 709 87 87 ASN CB C 39.739 0.400 1 710 87 87 ASN HB2 H 2.740 0.020 2 711 87 87 ASN HB3 H 2.591 0.020 2 712 88 88 ALA N N 122.565 0.400 1 713 88 88 ALA H H 8.101 0.020 1 714 88 88 ALA CA C 54.842 0.400 1 715 88 88 ALA HA H 3.846 0.020 1 716 88 88 ALA HB H 1.441 0.020 1 717 88 88 ALA CB C 18.186 0.400 1 718 89 89 TYR N N 125.675 0.400 1 719 89 89 TYR H H 9.065 0.020 1 720 89 89 TYR CA C 60.800 0.400 1 721 89 89 TYR CB C 36.672 0.400 1 722 89 89 TYR HB2 H 2.894 0.020 1 723 89 89 TYR HB3 H 2.894 0.020 1 724 90 90 ASN N N 119.432 0.400 1 725 90 90 ASN H H 7.585 0.020 1 726 90 90 ASN CA C 51.689 0.400 1 727 90 90 ASN HA H 4.639 0.020 1 728 90 90 ASN CB C 38.530 0.400 1 729 90 90 ASN HB2 H 3.078 0.020 2 730 90 90 ASN HB3 H 2.982 0.020 2 731 91 91 CYS N N 116.021 0.400 1 732 91 91 CYS H H 8.354 0.020 1 733 91 91 CYS CA C 60.134 0.400 1 734 91 91 CYS HA H 3.957 0.020 1 735 91 91 CYS CB C 24.413 0.400 1 736 91 91 CYS HB2 H 3.247 0.020 2 737 91 91 CYS HB3 H 3.067 0.020 2 738 92 92 GLU N N 119.258 0.400 1 739 92 92 GLU H H 8.114 0.020 1 740 92 92 GLU CA C 53.404 0.400 1 741 92 92 GLU HA H 4.526 0.020 1 742 92 92 GLU CB C 31.206 0.400 1 743 92 92 GLU HB2 H 2.230 0.020 2 744 92 92 GLU HB3 H 2.090 0.020 2 745 92 92 GLU CG C 35.826 0.400 1 746 92 92 GLU HG2 H 2.445 0.020 2 747 92 92 GLU HG3 H 2.391 0.020 2 748 93 93 GLU N N 122.841 0.400 1 749 93 93 GLU H H 8.554 0.020 1 750 93 93 GLU CA C 54.400 0.400 1 751 93 93 GLU HA H 4.297 0.020 1 752 93 93 GLU CB C 28.423 0.400 1 753 93 93 GLU HB2 H 2.258 0.020 2 754 93 93 GLU HB3 H 1.934 0.020 2 755 94 94 PRO CD C 49.761 0.400 1 756 94 94 PRO CA C 62.475 0.400 1 757 94 94 PRO HA H 4.416 0.020 1 758 94 94 PRO CB C 28.776 0.400 1 759 94 94 PRO HB2 H 2.263 0.020 1 760 94 94 PRO HB3 H 2.263 0.020 1 761 94 94 PRO CG C 23.555 0.400 1 762 94 94 PRO HG2 H 1.970 0.020 1 763 94 94 PRO HG3 H 1.970 0.020 1 764 94 94 PRO HD2 H 3.619 0.020 1 765 94 94 PRO HD3 H 3.619 0.020 1 766 95 95 THR N N 117.358 0.400 1 767 95 95 THR H H 8.062 0.020 1 768 95 95 THR CA C 60.067 0.400 1 769 95 95 THR HA H 4.655 0.020 1 770 95 95 THR CB C 70.259 0.400 1 771 95 95 THR HB H 4.442 0.020 1 772 95 95 THR HG2 H 1.122 0.020 1 773 95 95 THR CG2 C 20.349 0.400 1 774 96 96 GLU N N 117.463 0.400 1 775 96 96 GLU H H 8.533 0.020 1 776 96 96 GLU CA C 55.792 0.400 1 777 96 96 GLU HA H 4.320 0.020 1 778 96 96 GLU CB C 28.919 0.400 1 779 96 96 GLU HB2 H 1.970 0.020 2 780 96 96 GLU CG C 35.426 0.400 1 781 96 96 GLU HG2 H 2.297 0.020 2 782 96 96 GLU HG3 H 2.157 0.020 2 783 97 97 LYS N N 119.972 0.400 1 784 97 97 LYS H H 7.536 0.020 1 785 97 97 LYS CA C 55.407 0.400 1 786 97 97 LYS HA H 4.394 0.020 1 787 97 97 LYS CB C 32.967 0.400 1 788 97 97 LYS HB2 H 1.599 0.020 1 789 97 97 LYS HB3 H 1.599 0.020 1 790 97 97 LYS HG2 H 1.344 0.020 2 791 97 97 LYS HG3 H 1.250 0.020 2 792 97 97 LYS HE2 H 2.944 0.020 1 793 97 97 LYS HE3 H 2.944 0.020 1 794 98 98 LEU N N 122.452 0.400 1 795 98 98 LEU H H 7.596 0.020 1 796 98 98 LEU CA C 51.534 0.400 1 797 98 98 LEU HA H 4.489 0.020 1 798 98 98 LEU CB C 44.431 0.400 1 799 98 98 LEU HB2 H 1.432 0.020 2 800 98 98 LEU HB3 H 1.371 0.020 2 801 98 98 LEU HD1 H 0.787 0.020 2 802 98 98 LEU HD2 H 0.575 0.020 2 803 99 99 PRO CD C 49.783 0.400 1 804 99 99 PRO CA C 62.977 0.400 1 805 99 99 PRO HA H 4.408 0.020 1 806 99 99 PRO CB C 31.299 0.400 1 807 99 99 PRO HB2 H 2.260 0.020 2 808 99 99 PRO HB3 H 1.905 0.020 2 809 99 99 PRO CG C 26.812 0.400 1 810 99 99 PRO HG2 H 1.976 0.020 1 811 99 99 PRO HG3 H 1.976 0.020 1 812 99 99 PRO HD2 H 3.805 0.020 2 813 99 99 PRO HD3 H 3.616 0.020 2 814 100 100 PHE N N 113.708 0.400 1 815 100 100 PHE H H 6.214 0.020 1 816 100 100 PHE CA C 51.778 0.400 1 817 100 100 PHE HA H 4.728 0.020 1 818 100 100 PHE CB C 39.194 0.400 1 819 100 100 PHE HB3 H 2.946 0.020 2 820 100 100 PHE HD1 H 6.937 0.020 1 821 100 100 PHE HE1 H 7.035 0.020 1 822 100 100 PHE HE2 H 7.035 0.020 1 823 100 100 PHE HD2 H 6.937 0.020 1 824 101 101 PRO CA C 65.662 0.400 1 825 101 101 PRO HA H 4.401 0.020 1 826 101 101 PRO CB C 29.486 0.400 1 827 101 101 PRO HB2 H 1.893 0.020 1 828 101 101 PRO HB3 H 1.893 0.020 1 829 102 102 ILE N N 114.080 0.400 1 830 102 102 ILE H H 8.070 0.020 1 831 102 102 ILE CA C 60.681 0.400 1 832 102 102 ILE HA H 3.641 0.020 1 833 102 102 ILE CB C 39.001 0.400 1 834 102 102 ILE HB H 1.839 0.020 1 835 102 102 ILE HG2 H 0.964 0.020 1 836 102 102 ILE CG2 C 16.625 0.400 1 837 102 102 ILE CG1 C 26.118 0.400 1 838 102 102 ILE HG12 H 1.468 0.020 2 839 102 102 ILE HG13 H 1.132 0.020 2 840 102 102 ILE HD1 H 0.888 0.020 1 841 102 102 ILE CD1 C 12.743 0.400 1 842 103 103 ILE N N 129.767 0.400 1 843 103 103 ILE H H 9.534 0.020 1 844 103 103 ILE CA C 62.144 0.400 1 845 103 103 ILE HA H 4.077 0.020 1 846 103 103 ILE CB C 38.917 0.400 1 847 103 103 ILE HB H 1.817 0.020 1 848 103 103 ILE HG2 H 0.889 0.020 1 849 103 103 ILE CG2 C 17.470 0.400 1 850 103 103 ILE CG1 C 26.854 0.400 1 851 103 103 ILE HG12 H 1.433 0.020 2 852 103 103 ILE HG13 H 1.153 0.020 2 853 103 103 ILE HD1 H 0.859 0.020 1 854 103 103 ILE CD1 C 12.999 0.400 1 855 104 104 ASP N N 130.482 0.400 1 856 104 104 ASP H H 8.344 0.020 1 857 104 104 ASP CA C 52.307 0.400 1 858 104 104 ASP HA H 4.077 0.020 1 859 104 104 ASP CB C 42.511 0.400 1 860 104 104 ASP HB2 H 2.926 0.020 1 861 104 104 ASP HB3 H 2.926 0.020 1 862 105 105 ASP N N 130.207 0.400 1 863 105 105 ASP H H 8.479 0.020 1 864 105 105 ASP CA C 51.976 0.400 1 865 105 105 ASP HA H 3.891 0.020 1 866 105 105 ASP CB C 42.325 0.400 1 867 105 105 ASP HB2 H 2.653 0.020 2 868 105 105 ASP HB3 H 2.553 0.020 2 869 106 106 ARG N N 120.910 0.400 1 870 106 106 ARG H H 8.146 0.020 1 871 106 106 ARG CA C 58.883 0.400 1 872 106 106 ARG HA H 4.292 0.020 1 873 106 106 ARG CB C 29.421 0.400 1 874 106 106 ARG HB2 H 1.879 0.020 2 875 106 106 ARG HB3 H 1.793 0.020 2 876 106 106 ARG HG2 H 1.648 0.020 1 877 106 106 ARG HG3 H 1.648 0.020 1 878 107 107 ASN N N 117.757 0.400 1 879 107 107 ASN H H 8.201 0.020 1 880 107 107 ASN CA C 52.855 0.400 1 881 107 107 ASN HA H 4.983 0.020 1 882 107 107 ASN CB C 37.845 0.400 1 883 107 107 ASN HB2 H 2.969 0.020 2 884 107 107 ASN HB3 H 2.732 0.020 2 885 108 108 ARG N N 117.489 0.400 1 886 108 108 ARG H H 8.676 0.020 1 887 108 108 ARG CA C 58.291 0.400 1 888 108 108 ARG HA H 4.757 0.020 1 889 108 108 ARG CB C 25.692 0.400 1 890 108 108 ARG HB2 H 1.587 0.020 1 891 108 108 ARG HB3 H 1.587 0.020 1 892 108 108 ARG HG2 H 1.062 0.020 1 893 108 108 ARG HG3 H 1.062 0.020 1 894 108 108 ARG HD2 H 3.048 0.020 1 895 108 108 ARG HD3 H 3.048 0.020 1 896 109 109 GLU N N 118.981 0.400 1 897 109 109 GLU H H 7.669 0.020 1 898 109 109 GLU CA C 59.651 0.400 1 899 109 109 GLU HA H 3.754 0.020 1 900 109 109 GLU CB C 29.633 0.400 1 901 109 109 GLU HB2 H 1.941 0.020 1 902 109 109 GLU HB3 H 1.941 0.020 1 903 109 109 GLU HG2 H 2.192 0.020 1 904 109 109 GLU HG3 H 2.192 0.020 1 905 110 110 LEU N N 123.898 0.400 1 906 110 110 LEU H H 10.126 0.020 1 907 110 110 LEU CA C 56.462 0.400 1 908 110 110 LEU CB C 39.341 0.400 1 909 110 110 LEU HB2 H 1.354 0.020 2 910 110 110 LEU HB3 H 0.611 0.020 2 911 110 110 LEU CG C 25.966 0.400 1 912 110 110 LEU HG H 1.277 0.020 1 913 110 110 LEU HD1 H 0.487 0.020 2 914 110 110 LEU HD2 H 0.021 0.020 2 915 110 110 LEU CD1 C 27.649 0.400 1 916 110 110 LEU CD2 C 24.871 0.400 1 917 111 111 ALA N N 124.978 0.400 1 918 111 111 ALA H H 9.902 0.020 1 919 111 111 ALA CA C 54.488 0.400 1 920 111 111 ALA HA H 3.643 0.020 1 921 111 111 ALA HB H 1.074 0.020 1 922 111 111 ALA CB C 18.387 0.400 1 923 112 112 ILE N N 116.264 0.400 1 924 112 112 ILE H H 8.157 0.020 1 925 112 112 ILE CA C 64.072 0.400 1 926 112 112 ILE HA H 3.712 0.020 1 927 112 112 ILE CB C 37.212 0.400 1 928 112 112 ILE HB H 1.778 0.020 1 929 112 112 ILE HG2 H 0.878 0.020 1 930 112 112 ILE CG2 C 16.471 0.400 1 931 112 112 ILE CG1 C 30.121 0.400 1 932 112 112 ILE HG12 H 1.386 0.020 2 933 112 112 ILE HG13 H 1.041 0.020 2 934 112 112 ILE HD1 H 0.826 0.020 1 935 112 112 ILE CD1 C 12.907 0.400 1 936 113 113 LEU N N 123.581 0.400 1 937 113 113 LEU H H 7.339 0.020 1 938 113 113 LEU CA C 57.747 0.400 1 939 113 113 LEU HA H 4.095 0.020 1 940 113 113 LEU CB C 41.904 0.400 1 941 113 113 LEU HB2 H 1.779 0.020 1 942 113 113 LEU HB3 H 1.779 0.020 1 943 113 113 LEU CG C 26.316 0.400 1 944 113 113 LEU HG H 1.469 0.020 1 945 113 113 LEU HD1 H 0.837 0.020 2 946 113 113 LEU HD2 H 0.939 0.020 2 947 113 113 LEU CD1 C 24.918 0.400 1 948 113 113 LEU CD2 C 22.576 0.400 1 949 114 114 LEU N N 113.902 0.400 1 950 114 114 LEU H H 8.410 0.020 1 951 114 114 LEU CA C 53.867 0.400 1 952 114 114 LEU HA H 4.293 0.020 1 953 114 114 LEU CB C 40.473 0.400 1 954 114 114 LEU HB2 H 1.612 0.020 1 955 114 114 LEU HB3 H 1.612 0.020 1 956 114 114 LEU HG H 1.525 0.020 1 957 114 114 LEU HD1 H 0.787 0.020 2 958 114 114 LEU HD2 H 0.699 0.020 2 959 114 114 LEU CD2 C 24.926 0.400 1 960 115 115 GLY N N 109.432 0.400 1 961 115 115 GLY H H 7.445 0.020 1 962 115 115 GLY CA C 47.642 0.400 1 963 115 115 GLY HA2 H 4.185 0.020 2 964 115 115 GLY HA3 H 3.823 0.020 2 965 116 116 MET N N 113.786 0.400 1 966 116 116 MET H H 8.564 0.020 1 967 116 116 MET CA C 54.907 0.400 1 968 116 116 MET HA H 4.317 0.020 1 969 116 116 MET CB C 35.288 0.400 1 970 116 116 MET HB2 H 1.982 0.020 1 971 116 116 MET HB3 H 1.982 0.020 1 972 116 116 MET HG2 H 2.477 0.020 1 973 116 116 MET HG3 H 2.477 0.020 1 974 116 116 MET HE H 1.773 0.020 1 975 116 116 MET CE C 17.235 0.400 1 976 117 117 LEU N N 118.183 0.400 1 977 117 117 LEU H H 8.310 0.020 1 978 117 117 LEU CA C 55.752 0.400 1 979 117 117 LEU HA H 4.105 0.020 1 980 117 117 LEU CB C 40.181 0.400 1 981 117 117 LEU HB2 H 1.456 0.020 1 982 117 117 LEU HB3 H 1.456 0.020 1 983 117 117 LEU HG H 0.788 0.020 1 984 117 117 LEU HD1 H 0.869 0.020 2 985 117 117 LEU HD2 H 0.446 0.020 2 986 117 117 LEU CD2 C 21.890 0.400 1 987 118 118 ASP N N 123.671 0.400 1 988 118 118 ASP H H 8.964 0.020 1 989 118 118 ASP CA C 51.647 0.400 1 990 118 118 ASP HA H 4.589 0.020 1 991 118 118 ASP CB C 43.001 0.400 1 992 119 119 PRO CD C 50.695 0.400 1 993 119 119 PRO CA C 63.292 0.400 1 994 119 119 PRO HA H 4.356 0.020 1 995 119 119 PRO CB C 31.157 0.400 1 996 119 119 PRO HB2 H 2.338 0.020 2 997 119 119 PRO HB3 H 1.929 0.020 2 998 119 119 PRO CG C 26.352 0.400 1 999 119 119 PRO HG2 H 1.977 0.020 1 1000 119 119 PRO HG3 H 1.977 0.020 1 1001 119 119 PRO HD2 H 3.801 0.020 2 1002 119 119 PRO HD3 H 3.575 0.020 2 1003 120 120 ALA N N 123.360 0.400 1 1004 120 120 ALA H H 8.746 0.020 1 1005 120 120 ALA CA C 52.623 0.400 1 1006 120 120 ALA HA H 4.482 0.020 1 1007 120 120 ALA HB H 1.430 0.020 1 1008 120 120 ALA CB C 21.396 0.400 1 1009 121 121 GLU N N 123.532 0.400 1 1010 121 121 GLU H H 9.113 0.020 1 1011 121 121 GLU CA C 56.342 0.400 1 1012 121 121 GLU HA H 4.349 0.020 1 1013 121 121 GLU CB C 29.147 0.400 1 1014 121 121 GLU HB2 H 1.992 0.020 2 1015 121 121 GLU HB3 H 1.844 0.020 2 1016 121 121 GLU CG C 35.545 0.400 1 1017 121 121 GLU HG2 H 2.303 0.020 2 1018 121 121 GLU HG3 H 2.144 0.020 2 1019 122 122 LYS N N 126.050 0.400 1 1020 122 122 LYS H H 8.306 0.020 1 1021 122 122 LYS CA C 53.584 0.400 1 1022 122 122 LYS HA H 4.313 0.020 1 1023 122 122 LYS CB C 36.266 0.400 1 1024 122 122 LYS HB2 H 1.788 0.020 1 1025 122 122 LYS HB3 H 1.788 0.020 1 1026 122 122 LYS HG2 H 1.315 0.020 1 1027 122 122 LYS HG3 H 1.315 0.020 1 1028 122 122 LYS HD2 H 1.583 0.020 1 1029 122 122 LYS HD3 H 1.583 0.020 1 1030 122 122 LYS HE2 H 2.857 0.020 1 1031 122 122 LYS HE3 H 2.857 0.020 1 1032 123 123 ASP N N 121.445 0.400 1 1033 123 123 ASP H H 8.620 0.020 1 1034 123 123 ASP CA C 51.777 0.400 1 1035 123 123 ASP HA H 4.785 0.020 1 1036 123 123 ASP CB C 40.975 0.400 1 1037 123 123 ASP HB2 H 2.654 0.020 2 1038 123 123 ASP HB3 H 2.558 0.020 2 1039 124 124 GLU N N 118.204 0.400 1 1040 124 124 GLU H H 9.346 0.020 1 1041 124 124 GLU CA C 58.935 0.400 1 1042 124 124 GLU HA H 4.026 0.020 1 1043 124 124 GLU CB C 27.294 0.400 1 1044 124 124 GLU HB2 H 2.036 0.020 2 1045 124 124 GLU CG C 35.794 0.400 1 1046 124 124 GLU HG2 H 2.335 0.020 1 1047 124 124 GLU HG3 H 2.335 0.020 1 1048 125 125 LYS N N 119.763 0.400 1 1049 125 125 LYS H H 8.066 0.020 1 1050 125 125 LYS CA C 54.915 0.400 1 1051 125 125 LYS HA H 4.408 0.020 1 1052 125 125 LYS CB C 31.536 0.400 1 1053 125 125 LYS HB2 H 1.999 0.020 2 1054 125 125 LYS HB3 H 1.905 0.020 2 1055 125 125 LYS HG2 H 1.371 0.020 1 1056 125 125 LYS HG3 H 1.371 0.020 1 1057 125 125 LYS HD2 H 1.827 0.020 1 1058 125 125 LYS HD3 H 1.827 0.020 1 1059 125 125 LYS HE2 H 3.031 0.020 1 1060 125 125 LYS HE3 H 3.031 0.020 1 1061 126 126 GLY N N 108.692 0.400 1 1062 126 126 GLY H H 8.026 0.020 1 1063 126 126 GLY CA C 45.047 0.400 1 1064 126 126 GLY HA2 H 4.131 0.020 2 1065 126 126 GLY HA3 H 3.542 0.020 2 1066 127 127 MET N N 122.737 0.400 1 1067 127 127 MET H H 8.411 0.020 1 1068 127 127 MET CA C 52.274 0.400 1 1069 127 127 MET HA H 4.864 0.020 1 1070 127 127 MET CB C 31.556 0.400 1 1071 127 127 MET HB2 H 2.549 0.020 2 1072 127 127 MET HB3 H 2.392 0.020 2 1073 127 127 MET HE H 2.088 0.020 1 1074 127 127 MET CE C 16.832 0.400 1 1075 128 128 PRO CA C 63.126 0.400 1 1076 128 128 PRO HA H 4.695 0.020 1 1077 128 128 PRO CB C 32.860 0.400 1 1078 128 128 PRO HB2 H 2.494 0.020 2 1079 128 128 PRO HB3 H 1.844 0.020 2 1080 128 128 PRO CG C 26.797 0.400 1 1081 128 128 PRO HG2 H 1.992 0.020 1 1082 128 128 PRO HG3 H 1.992 0.020 1 1083 128 128 PRO HD2 H 3.612 0.020 1 1084 128 128 PRO HD3 H 3.612 0.020 1 1085 129 129 VAL N N 116.302 0.400 1 1086 129 129 VAL H H 7.453 0.020 1 1087 129 129 VAL CA C 57.912 0.400 1 1088 129 129 VAL HA H 4.598 0.020 1 1089 129 129 VAL CB C 31.439 0.400 1 1090 129 129 VAL HB H 2.679 0.020 1 1091 129 129 VAL HG1 H 0.791 0.020 2 1092 129 129 VAL HG2 H 0.706 0.020 2 1093 129 129 VAL CG1 C 21.378 0.400 1 1094 129 129 VAL CG2 C 18.619 0.400 1 1095 130 130 THR N N 109.750 0.400 1 1096 130 130 THR H H 8.532 0.020 1 1097 130 130 THR CA C 61.898 0.400 1 1098 130 130 THR HA H 4.824 0.020 1 1099 130 130 THR CB C 69.675 0.400 1 1100 130 130 THR HB H 3.859 0.020 1 1101 130 130 THR HG2 H 0.842 0.020 1 1102 130 130 THR CG2 C 20.400 0.400 1 1103 131 131 ALA N N 119.403 0.400 1 1104 131 131 ALA H H 8.535 0.020 1 1105 131 131 ALA CA C 49.557 0.400 1 1106 131 131 ALA HA H 4.596 0.020 1 1107 131 131 ALA HB H 1.387 0.020 1 1108 131 131 ALA CB C 18.718 0.400 1 1109 132 132 ARG N N 123.258 0.400 1 1110 132 132 ARG H H 8.835 0.020 1 1111 132 132 ARG CA C 54.654 0.400 1 1112 132 132 ARG HA H 4.465 0.020 1 1113 132 132 ARG CB C 26.689 0.400 1 1114 132 132 ARG HB2 H 1.864 0.020 1 1115 132 132 ARG HB3 H 1.864 0.020 1 1116 132 132 ARG HG2 H 1.547 0.020 1 1117 132 132 ARG HG3 H 1.547 0.020 1 1118 133 133 VAL N N 122.657 0.400 1 1119 133 133 VAL H H 7.095 0.020 1 1120 133 133 VAL CA C 60.687 0.400 1 1121 133 133 VAL HA H 4.800 0.020 1 1122 133 133 VAL CB C 31.909 0.400 1 1123 133 133 VAL HB H 1.834 0.020 1 1124 133 133 VAL HG1 H 0.727 0.020 2 1125 133 133 VAL HG2 H 0.248 0.020 2 1126 133 133 VAL CG1 C 22.236 0.400 1 1127 133 133 VAL CG2 C 20.851 0.400 1 1128 134 134 VAL CA C 63.162 0.400 1 1129 134 134 VAL HA H 4.055 0.020 1 1130 134 134 VAL CB C 32.586 0.400 1 1131 134 134 VAL HB H 2.066 0.020 1 1132 134 134 VAL HG1 H 0.909 0.020 2 1133 134 134 VAL HG2 H 0.880 0.020 2 1134 134 134 VAL CG1 C 21.031 0.400 1 1135 134 134 VAL CG2 C 19.504 0.400 1 1136 135 135 PHE N N 125.700 0.400 1 1137 135 135 PHE H H 9.246 0.020 1 1138 135 135 PHE CA C 53.757 0.400 1 1139 135 135 PHE HA H 4.657 0.020 1 1140 135 135 PHE CB C 42.692 0.400 1 1141 135 135 PHE HD1 H 7.054 0.020 1 1142 135 135 PHE HE1 H 7.266 0.020 1 1143 135 135 PHE HE2 H 7.266 0.020 1 1144 135 135 PHE HD2 H 7.054 0.020 1 1145 136 136 VAL N N 125.386 0.400 1 1146 136 136 VAL H H 9.255 0.020 1 1147 136 136 VAL CA C 61.002 0.400 1 1148 136 136 VAL HA H 4.885 0.020 1 1149 136 136 VAL CB C 34.160 0.400 1 1150 136 136 VAL HB H 2.154 0.020 1 1151 136 136 VAL HG1 H 1.021 0.020 2 1152 136 136 VAL HG2 H 0.737 0.020 2 1153 136 136 VAL CG1 C 20.432 0.400 1 1154 136 136 VAL CG2 C 19.796 0.400 1 1155 137 137 PHE N N 127.009 0.400 1 1156 137 137 PHE H H 10.052 0.020 1 1157 137 137 PHE CA C 56.550 0.400 1 1158 137 137 PHE HA H 4.342 0.020 1 1159 137 137 PHE CB C 41.637 0.400 1 1160 137 137 PHE HB2 H 2.805 0.020 1 1161 137 137 PHE HB3 H 2.805 0.020 1 1162 137 137 PHE HD1 H 7.054 0.020 1 1163 137 137 PHE HD2 H 7.054 0.020 1 1164 138 138 GLY N N 106.695 0.400 1 1165 138 138 GLY H H 8.039 0.020 1 1166 138 138 GLY CA C 42.853 0.400 1 1167 138 138 GLY HA2 H 3.955 0.020 2 1168 138 138 GLY HA3 H 3.904 0.020 2 1169 139 139 PRO CA C 60.006 0.400 1 1170 139 139 PRO HA H 4.314 0.020 1 1171 139 139 PRO CB C 30.590 0.400 1 1172 139 139 PRO HB2 H 2.081 0.020 1 1173 139 139 PRO HB3 H 2.081 0.020 1 1174 140 140 ASP N N 130.504 0.400 1 1175 140 140 ASP H H 8.763 0.020 1 1176 140 140 ASP CA C 52.493 0.400 1 1177 140 140 ASP CB C 44.082 0.400 1 1178 140 140 ASP HB2 H 2.860 0.020 1 1179 140 140 ASP HB3 H 2.860 0.020 1 1180 141 141 LYS N N 110.129 0.400 1 1181 141 141 LYS H H 8.134 0.020 1 1182 141 141 LYS CA C 55.910 0.400 1 1183 141 141 LYS CB C 27.782 0.400 1 1184 142 142 LYS N N 118.386 0.400 1 1185 142 142 LYS H H 7.849 0.020 1 1186 142 142 LYS CA C 55.184 0.400 1 1187 142 142 LYS HA H 4.150 0.020 1 1188 142 142 LYS CB C 33.374 0.400 1 1189 142 142 LYS HB2 H 1.784 0.020 2 1190 142 142 LYS HB3 H 1.707 0.020 2 1191 142 142 LYS HG2 H 1.568 0.020 2 1192 142 142 LYS HG3 H 1.346 0.020 2 1193 142 142 LYS HE2 H 2.925 0.020 1 1194 142 142 LYS HE3 H 2.925 0.020 1 1195 143 143 LEU N N 123.281 0.400 1 1196 143 143 LEU H H 9.159 0.020 1 1197 143 143 LEU CA C 55.516 0.400 1 1198 143 143 LEU HA H 4.122 0.020 1 1199 143 143 LEU CB C 40.479 0.400 1 1200 143 143 LEU HB2 H 1.743 0.020 1 1201 143 143 LEU HB3 H 1.743 0.020 1 1202 143 143 LEU CG C 25.938 0.400 1 1203 143 143 LEU HG H 1.406 0.020 1 1204 143 143 LEU HD1 H 0.635 0.020 2 1205 143 143 LEU HD2 H 0.649 0.020 2 1206 143 143 LEU CD1 C 25.064 0.400 1 1207 143 143 LEU CD2 C 20.664 0.400 1 1208 144 144 LYS N N 128.781 0.400 1 1209 144 144 LYS H H 9.587 0.020 1 1210 144 144 LYS CA C 54.096 0.400 1 1211 144 144 LYS CB C 33.325 0.400 1 1212 144 144 LYS HB2 H 1.929 0.020 1 1213 144 144 LYS HB3 H 1.929 0.020 1 1214 144 144 LYS HG2 H 1.390 0.020 1 1215 144 144 LYS HG3 H 1.390 0.020 1 1216 144 144 LYS HD2 H 1.687 0.020 1 1217 144 144 LYS HD3 H 1.687 0.020 1 1218 145 145 LEU N N 118.199 0.400 1 1219 145 145 LEU H H 7.016 0.020 1 1220 145 145 LEU CA C 56.273 0.400 1 1221 145 145 LEU HA H 4.658 0.020 1 1222 145 145 LEU CB C 44.555 0.400 1 1223 145 145 LEU HB3 H 1.136 0.020 2 1224 145 145 LEU HD1 H 1.006 0.020 2 1225 145 145 LEU HD2 H 0.913 0.020 2 1226 146 146 SER N N 116.927 0.400 1 1227 146 146 SER H H 7.970 0.020 1 1228 146 146 SER CA C 57.375 0.400 1 1229 146 146 SER HA H 4.328 0.020 1 1230 146 146 SER CB C 66.009 0.400 1 1231 146 146 SER HB2 H 4.056 0.020 2 1232 147 147 ILE N N 119.447 0.400 1 1233 147 147 ILE H H 8.814 0.020 1 1234 147 147 ILE CA C 60.777 0.400 1 1235 147 147 ILE HA H 4.669 0.020 1 1236 147 147 ILE CB C 42.139 0.400 1 1237 147 147 ILE HB H 1.618 0.020 1 1238 147 147 ILE HG2 H 0.841 0.020 1 1239 147 147 ILE CG2 C 19.017 0.400 1 1240 147 147 ILE CG1 C 27.146 0.400 1 1241 147 147 ILE HG12 H 1.000 0.020 1 1242 147 147 ILE HG13 H 1.000 0.020 1 1243 147 147 ILE HD1 H 0.432 0.020 1 1244 147 147 ILE CD1 C 12.679 0.400 1 1245 148 148 LEU N N 127.311 0.400 1 1246 148 148 LEU H H 9.453 0.020 1 1247 148 148 LEU CA C 55.931 0.400 1 1248 148 148 LEU HA H 4.686 0.020 1 1249 148 148 LEU CB C 40.778 0.400 1 1250 148 148 LEU HB2 H 1.727 0.020 2 1251 148 148 LEU HB3 H 1.482 0.020 2 1252 148 148 LEU CG C 28.578 0.400 1 1253 148 148 LEU HG H 1.569 0.020 1 1254 148 148 LEU HD1 H 1.007 0.020 2 1255 148 148 LEU HD2 H 0.940 0.020 2 1256 148 148 LEU CD1 C 25.989 0.400 1 1257 148 148 LEU CD2 C 23.573 0.400 1 1258 149 149 TYR N N 125.469 0.400 1 1259 149 149 TYR H H 7.849 0.020 1 1260 149 149 TYR CA C 51.883 0.400 1 1261 149 149 TYR HA H 4.439 0.020 1 1262 149 149 TYR CB C 35.333 0.400 1 1263 150 150 PRO CD C 48.854 0.400 1 1264 150 150 PRO CA C 61.672 0.400 1 1265 150 150 PRO HA H 4.479 0.020 1 1266 150 150 PRO CB C 32.321 0.400 1 1267 150 150 PRO HB2 H 2.428 0.020 2 1268 150 150 PRO HB3 H 2.038 0.020 2 1269 150 150 PRO CG C 26.302 0.400 1 1270 150 150 PRO HG2 H 2.025 0.020 1 1271 150 150 PRO HG3 H 2.025 0.020 1 1272 150 150 PRO HD2 H 3.384 0.020 1 1273 150 150 PRO HD3 H 3.384 0.020 1 1274 151 151 ALA N N 120.867 0.400 1 1275 151 151 ALA H H 9.786 0.020 1 1276 151 151 ALA CA C 54.725 0.400 1 1277 151 151 ALA HA H 3.845 0.020 1 1278 151 151 ALA HB H 1.453 0.020 1 1279 151 151 ALA CB C 18.225 0.400 1 1280 152 152 THR N N 105.669 0.400 1 1281 152 152 THR H H 7.095 0.020 1 1282 152 152 THR CA C 63.558 0.400 1 1283 152 152 THR HA H 4.000 0.020 1 1284 152 152 THR CB C 69.765 0.400 1 1285 152 152 THR HB H 4.628 0.020 1 1286 152 152 THR HG2 H 1.376 0.020 1 1287 152 152 THR CG2 C 20.916 0.400 1 1288 153 153 THR N N 119.477 0.400 1 1289 153 153 THR H H 7.439 0.020 1 1290 153 153 THR CA C 61.349 0.400 1 1291 153 153 THR HA H 3.495 0.020 1 1292 153 153 THR CB C 72.898 0.400 1 1293 153 153 THR HB H 4.575 0.020 1 1294 153 153 THR HG2 H 1.084 0.020 1 1295 153 153 THR CG2 C 19.528 0.400 1 1296 154 154 GLY N N 110.701 0.400 1 1297 154 154 GLY H H 8.274 0.020 1 1298 154 154 GLY CA C 44.772 0.400 1 1299 154 154 GLY HA2 H 3.960 0.020 2 1300 154 154 GLY HA3 H 3.861 0.020 2 1301 155 155 ARG N N 124.547 0.400 1 1302 155 155 ARG H H 10.036 0.020 1 1303 155 155 ARG CA C 55.528 0.400 1 1304 155 155 ARG HA H 4.236 0.020 1 1305 155 155 ARG CB C 30.726 0.400 1 1306 155 155 ARG HB2 H 1.905 0.020 1 1307 155 155 ARG HB3 H 1.905 0.020 1 1308 155 155 ARG HG2 H 1.606 0.020 1 1309 155 155 ARG HG3 H 1.606 0.020 1 1310 155 155 ARG HD2 H 2.871 0.020 1 1311 155 155 ARG HD3 H 2.871 0.020 1 1312 156 156 ASN N N 117.606 0.400 1 1313 156 156 ASN H H 7.984 0.020 1 1314 156 156 ASN CA C 49.968 0.400 1 1315 156 156 ASN HA H 4.409 0.020 1 1316 156 156 ASN CB C 39.173 0.400 1 1317 156 156 ASN HB2 H 2.734 0.020 2 1318 156 156 ASN HB3 H 2.577 0.020 2 1319 157 157 PHE N N 127.454 0.400 1 1320 157 157 PHE H H 10.196 0.020 1 1321 157 157 PHE CA C 61.201 0.400 1 1322 157 157 PHE HA H 5.764 0.020 1 1323 157 157 PHE CB C 39.437 0.400 1 1324 157 157 PHE HB2 H 2.919 0.020 1 1325 157 157 PHE HB3 H 2.919 0.020 1 1326 157 157 PHE HD1 H 6.944 0.020 1 1327 157 157 PHE HE1 H 7.174 0.020 1 1328 157 157 PHE HE2 H 7.174 0.020 1 1329 157 157 PHE HD2 H 6.944 0.020 1 1330 158 158 ASP N N 122.981 0.400 1 1331 158 158 ASP H H 7.899 0.020 1 1332 158 158 ASP CA C 62.246 0.400 1 1333 158 158 ASP HA H 4.707 0.020 1 1334 158 158 ASP CB C 38.530 0.400 1 1335 158 158 ASP HB2 H 3.125 0.020 2 1336 158 158 ASP HB3 H 2.919 0.020 2 1337 159 159 GLU CA C 60.651 0.400 1 1338 159 159 GLU CB C 32.145 0.400 1 1339 160 160 ILE N N 116.979 0.400 1 1340 160 160 ILE H H 7.993 0.020 1 1341 160 160 ILE CA C 60.344 0.400 1 1342 160 160 ILE HA H 4.037 0.020 1 1343 160 160 ILE CB C 39.051 0.400 1 1344 160 160 ILE HB H 1.731 0.020 1 1345 160 160 ILE HG2 H 0.564 0.020 1 1346 160 160 ILE CG2 C 16.704 0.400 1 1347 160 160 ILE CG1 C 28.072 0.400 1 1348 160 160 ILE HG12 H 1.389 0.020 1 1349 160 160 ILE HG13 H 1.389 0.020 1 1350 160 160 ILE HD1 H -0.292 0.020 1 1351 160 160 ILE CD1 C 11.105 0.400 1 1352 161 161 LEU N N 122.852 0.400 1 1353 161 161 LEU H H 7.905 0.020 1 1354 161 161 LEU CA C 57.111 0.400 1 1355 161 161 LEU HA H 4.648 0.020 1 1356 161 161 LEU CB C 38.639 0.400 1 1357 161 161 LEU HB2 H 2.030 0.020 1 1358 161 161 LEU HB3 H 2.030 0.020 1 1359 161 161 LEU HD1 H 0.808 0.020 2 1360 161 161 LEU HD2 H 0.116 0.020 2 1361 161 161 LEU CD1 C 26.789 0.400 1 1362 161 161 LEU CD2 C 26.650 0.400 1 1363 162 162 ARG N N 123.514 0.400 1 1364 162 162 ARG H H 7.402 0.020 1 1365 162 162 ARG CA C 56.535 0.400 1 1366 162 162 ARG HA H 4.536 0.020 1 1367 162 162 ARG CB C 27.180 0.400 1 1368 162 162 ARG HB2 H 1.862 0.020 2 1369 162 162 ARG HB3 H 1.790 0.020 2 1370 162 162 ARG HD2 H 2.977 0.020 1 1371 162 162 ARG HD3 H 2.977 0.020 1 1372 163 163 VAL N N 118.580 0.400 1 1373 163 163 VAL H H 6.891 0.020 1 1374 163 163 VAL CA C 64.264 0.400 1 1375 163 163 VAL HA H 5.225 0.020 1 1376 163 163 VAL CB C 35.609 0.400 1 1377 163 163 VAL HB H 2.199 0.020 1 1378 163 163 VAL HG1 H 0.558 0.020 1 1379 163 163 VAL HG2 H 0.558 0.020 1 1380 164 164 VAL N N 124.121 0.400 1 1381 164 164 VAL H H 7.663 0.020 1 1382 164 164 VAL CA C 66.928 0.400 1 1383 164 164 VAL HA H 3.416 0.020 1 1384 164 164 VAL CB C 30.151 0.400 1 1385 164 164 VAL HB H 2.341 0.020 1 1386 164 164 VAL HG1 H 1.088 0.020 2 1387 164 164 VAL HG2 H 0.666 0.020 2 1388 164 164 VAL CG1 C 23.922 0.400 1 1389 164 164 VAL CG2 C 21.057 0.400 1 1390 165 165 ILE N N 120.888 0.400 1 1391 165 165 ILE H H 7.928 0.020 1 1392 165 165 ILE CA C 65.843 0.400 1 1393 165 165 ILE HA H 3.115 0.020 1 1394 165 165 ILE CB C 40.361 0.400 1 1395 165 165 ILE HB H 1.357 0.020 1 1396 165 165 ILE HG2 H 0.446 0.020 1 1397 165 165 ILE CG2 C 16.571 0.400 1 1398 165 165 ILE CG1 C 28.265 0.400 1 1399 165 165 ILE HD1 H -0.863 0.020 1 1400 165 165 ILE CD1 C 12.256 0.400 1 1401 166 166 SER N N 116.279 0.400 1 1402 166 166 SER H H 7.882 0.020 1 1403 166 166 SER CA C 60.895 0.400 1 1404 166 166 SER HA H 4.796 0.020 1 1405 166 166 SER CB C 64.999 0.400 1 1406 166 166 SER HB2 H 3.656 0.020 1 1407 166 166 SER HB3 H 3.656 0.020 1 1408 167 167 LEU N N 122.536 0.400 1 1409 167 167 LEU H H 9.272 0.020 1 1410 167 167 LEU CA C 57.514 0.400 1 1411 167 167 LEU HA H 4.869 0.020 1 1412 167 167 LEU CB C 41.365 0.400 1 1413 167 167 LEU HB2 H 1.771 0.020 1 1414 167 167 LEU HB3 H 1.771 0.020 1 1415 167 167 LEU HD1 H 1.004 0.020 2 1416 168 168 GLN N N 116.283 0.400 1 1417 168 168 GLN H H 7.806 0.020 1 1418 168 168 GLN CA C 58.804 0.400 1 1419 168 168 GLN HA H 3.892 0.020 1 1420 168 168 GLN CB C 26.358 0.400 1 1421 168 168 GLN HB2 H 1.828 0.020 1 1422 168 168 GLN HB3 H 1.828 0.020 1 1423 169 169 LEU N N 123.349 0.400 1 1424 169 169 LEU H H 8.155 0.020 1 1425 169 169 LEU CA C 57.910 0.400 1 1426 169 169 LEU HA H 4.154 0.020 1 1427 169 169 LEU CB C 41.228 0.400 1 1428 169 169 LEU HB2 H 2.003 0.020 1 1429 169 169 LEU HB3 H 2.003 0.020 1 1430 169 169 LEU CG C 26.853 0.400 1 1431 169 169 LEU HG H 1.590 0.020 1 1432 169 169 LEU HD1 H 0.984 0.020 2 1433 169 169 LEU HD2 H 1.047 0.020 2 1434 169 169 LEU CD1 C 25.676 0.400 1 1435 169 169 LEU CD2 C 22.042 0.400 1 1436 170 170 THR N N 108.283 0.400 1 1437 170 170 THR H H 8.442 0.020 1 1438 170 170 THR CA C 63.379 0.400 1 1439 170 170 THR HA H 4.342 0.020 1 1440 170 170 THR CB C 69.407 0.400 1 1441 170 170 THR HB H 4.556 0.020 1 1442 170 170 THR HG2 H 1.337 0.020 1 1443 170 170 THR CG2 C 22.166 0.400 1 1444 171 171 ALA N N 123.275 0.400 1 1445 171 171 ALA H H 7.361 0.020 1 1446 171 171 ALA CA C 53.232 0.400 1 1447 171 171 ALA HA H 4.551 0.020 1 1448 171 171 ALA HB H 1.806 0.020 1 1449 171 171 ALA CB C 18.164 0.400 1 1450 172 172 GLU N N 116.396 0.400 1 1451 172 172 GLU H H 7.376 0.020 1 1452 172 172 GLU CA C 56.669 0.400 1 1453 172 172 GLU HA H 4.524 0.020 1 1454 172 172 GLU CB C 31.670 0.400 1 1455 172 172 GLU HB2 H 2.207 0.020 1 1456 172 172 GLU HB3 H 2.207 0.020 1 1457 172 172 GLU HG2 H 2.449 0.020 2 1458 172 172 GLU HG3 H 2.384 0.020 2 1459 173 173 LYS N N 119.388 0.400 1 1460 173 173 LYS H H 8.310 0.020 1 1461 173 173 LYS CA C 52.880 0.400 1 1462 173 173 LYS CB C 35.287 0.400 1 1463 173 173 LYS HB2 H 1.935 0.020 1 1464 173 173 LYS HB3 H 1.935 0.020 1 1465 173 173 LYS HG2 H 1.620 0.020 2 1466 173 173 LYS HG3 H 1.561 0.020 2 1467 174 174 ARG N N 124.971 0.400 1 1468 174 174 ARG H H 8.748 0.020 1 1469 174 174 ARG CA C 55.455 0.400 1 1470 174 174 ARG HA H 4.002 0.020 1 1471 174 174 ARG CB C 27.564 0.400 1 1472 174 174 ARG HB2 H 1.861 0.020 1 1473 174 174 ARG HB3 H 1.861 0.020 1 1474 175 175 VAL N N 110.644 0.400 1 1475 175 175 VAL H H 8.016 0.020 1 1476 175 175 VAL CA C 56.917 0.400 1 1477 175 175 VAL HA H 5.088 0.020 1 1478 175 175 VAL CB C 35.579 0.400 1 1479 175 175 VAL HB H 1.913 0.020 1 1480 175 175 VAL HG1 H 0.584 0.020 2 1481 175 175 VAL HG2 H 0.355 0.020 2 1482 175 175 VAL CG1 C 23.111 0.400 1 1483 175 175 VAL CG2 C 16.572 0.400 1 1484 176 176 ALA N N 120.177 0.400 1 1485 176 176 ALA H H 8.675 0.020 1 1486 176 176 ALA CA C 50.102 0.400 1 1487 176 176 ALA HA H 5.046 0.020 1 1488 176 176 ALA HB H 1.221 0.020 1 1489 176 176 ALA CB C 23.517 0.400 1 1490 177 177 THR N N 112.628 0.400 1 1491 177 177 THR H H 8.512 0.020 1 1492 177 177 THR CA C 57.082 0.400 1 1493 177 177 THR HA H 4.339 0.020 1 1494 177 177 THR CB C 67.534 0.400 1 1495 177 177 THR HB H 3.535 0.020 1 1496 177 177 THR HG2 H -0.303 0.020 1 1497 177 177 THR CG2 C 18.982 0.400 1 1498 178 178 PRO CA C 61.853 0.400 1 1499 178 178 PRO HA H 3.903 0.020 1 1500 178 178 PRO CB C 33.472 0.400 1 1501 178 178 PRO HB2 H 1.862 0.020 1 1502 178 178 PRO HB3 H 1.862 0.020 1 1503 178 178 PRO HG2 H 1.780 0.020 1 1504 178 178 PRO HG3 H 1.780 0.020 1 1505 179 179 VAL N N 122.855 0.400 1 1506 179 179 VAL H H 8.003 0.020 1 1507 179 179 VAL CA C 61.116 0.400 1 1508 179 179 VAL HA H 3.577 0.020 1 1509 179 179 VAL CB C 31.160 0.400 1 1510 179 179 VAL HB H 2.224 0.020 1 1511 179 179 VAL HG1 H 1.008 0.020 2 1512 179 179 VAL HG2 H 0.958 0.020 2 1513 179 179 VAL CG1 C 20.164 0.400 1 1514 179 179 VAL CG2 C 18.862 0.400 1 1515 180 180 ASP N N 120.992 0.400 1 1516 180 180 ASP H H 9.250 0.020 1 1517 180 180 ASP CA C 56.540 0.400 1 1518 180 180 ASP HA H 4.083 0.020 1 1519 180 180 ASP CB C 39.248 0.400 1 1520 180 180 ASP HB2 H 2.929 0.020 1 1521 180 180 ASP HB3 H 2.929 0.020 1 1522 181 181 TRP N N 121.325 0.400 1 1523 181 181 TRP H H 7.138 0.020 1 1524 181 181 TRP CA C 59.214 0.400 1 1525 181 181 TRP HA H 4.722 0.020 1 1526 181 181 TRP CB C 29.631 0.400 1 1527 181 181 TRP HB2 H 3.115 0.020 1 1528 181 181 TRP HB3 H 3.115 0.020 1 1529 181 181 TRP NE1 N 130.694 0.400 1 1530 181 181 TRP HD1 H 7.917 0.020 1 1531 181 181 TRP HE1 H 10.925 0.020 1 1532 182 182 LYS N N 126.321 0.400 1 1533 182 182 LYS H H 7.301 0.020 1 1534 182 182 LYS CA C 52.870 0.400 1 1535 182 182 LYS HA H 3.982 0.020 1 1536 182 182 LYS CB C 32.856 0.400 1 1537 182 182 LYS HB2 H 1.305 0.020 1 1538 182 182 LYS HB3 H 1.305 0.020 1 1539 182 182 LYS HG2 H 1.168 0.020 1 1540 182 182 LYS HG3 H 1.168 0.020 1 1541 182 182 LYS HE2 H 2.918 0.020 1 1542 182 182 LYS HE3 H 2.918 0.020 1 1543 183 183 ASP N N 118.082 0.400 1 1544 183 183 ASP H H 7.306 0.020 1 1545 183 183 ASP CA C 55.229 0.400 1 1546 183 183 ASP HA H 3.611 0.020 1 1547 183 183 ASP CB C 40.035 0.400 1 1548 183 183 ASP HB2 H 2.203 0.020 2 1549 183 183 ASP HB3 H 2.138 0.020 2 1550 184 184 GLY N N 119.457 0.400 1 1551 184 184 GLY H H 8.969 0.020 1 1552 184 184 GLY CA C 44.544 0.400 1 1553 184 184 GLY HA2 H 4.299 0.020 2 1554 184 184 GLY HA3 H 3.542 0.020 2 1555 185 185 ASP N N 125.173 0.400 1 1556 185 185 ASP H H 8.491 0.020 1 1557 185 185 ASP CA C 53.692 0.400 1 1558 185 185 ASP HA H 4.732 0.020 1 1559 185 185 ASP CB C 41.382 0.400 1 1560 185 185 ASP HB2 H 3.024 0.020 1 1561 185 185 ASP HB3 H 3.024 0.020 1 1562 186 186 SER N N 114.284 0.400 1 1563 186 186 SER H H 8.434 0.020 1 1564 186 186 SER CA C 60.242 0.400 1 1565 186 186 SER HA H 4.465 0.020 1 1566 186 186 SER CB C 63.377 0.400 1 1567 186 186 SER HB2 H 4.181 0.020 1 1568 186 186 SER HB3 H 4.181 0.020 1 1569 187 187 VAL N N 113.151 0.400 1 1570 187 187 VAL H H 8.981 0.020 1 1571 187 187 VAL CA C 58.014 0.400 1 1572 187 187 VAL HA H 4.653 0.020 1 1573 187 187 VAL CB C 33.227 0.400 1 1574 187 187 VAL HB H 1.911 0.020 1 1575 187 187 VAL HG1 H 0.843 0.020 2 1576 187 187 VAL HG2 H 0.641 0.020 2 1577 187 187 VAL CG1 C 22.711 0.400 1 1578 187 187 VAL CG2 C 19.466 0.400 1 1579 188 188 MET N N 113.124 0.400 1 1580 188 188 MET H H 8.250 0.020 1 1581 188 188 MET CA C 51.960 0.400 1 1582 188 188 MET HA H 4.453 0.020 1 1583 188 188 MET CB C 30.814 0.400 1 1584 188 188 MET HB2 H 1.992 0.020 2 1585 188 188 MET HB3 H 1.906 0.020 2 1586 188 188 MET HG2 H 2.150 0.020 1 1587 188 188 MET HG3 H 2.150 0.020 1 1588 188 188 MET HE H 1.269 0.020 1 1589 188 188 MET CE C 16.968 0.400 1 1590 189 189 VAL N N 123.328 0.400 1 1591 189 189 VAL H H 7.908 0.020 1 1592 189 189 VAL CA C 62.109 0.400 1 1593 189 189 VAL HA H 4.115 0.020 1 1594 189 189 VAL CB C 32.086 0.400 1 1595 189 189 VAL HB H 2.057 0.020 1 1596 189 189 VAL HG1 H 0.813 0.020 2 1597 189 189 VAL HG2 H 0.931 0.020 2 1598 189 189 VAL CG1 C 20.500 0.400 1 1599 189 189 VAL CG2 C 19.807 0.400 1 1600 190 190 LEU N N 127.477 0.400 1 1601 190 190 LEU H H 6.982 0.020 1 1602 190 190 LEU CA C 54.048 0.400 1 1603 190 190 LEU HA H 4.289 0.020 1 1604 190 190 LEU CB C 38.659 0.400 1 1605 190 190 LEU HB2 H 1.454 0.020 1 1606 190 190 LEU HB3 H 1.454 0.020 1 1607 190 190 LEU HD1 H 0.827 0.020 2 1608 190 190 LEU HD2 H 0.823 0.020 2 1609 191 191 PRO CA C 67.652 0.400 1 1610 192 192 THR N N 112.044 0.400 1 1611 192 192 THR H H 7.595 0.020 1 1612 192 192 THR CA C 64.471 0.400 1 1613 192 192 THR HA H 3.826 0.020 1 1614 192 192 THR CB C 69.168 0.400 1 1615 192 192 THR HB H 4.449 0.020 1 1616 192 192 THR HG2 H 1.462 0.020 1 1617 192 192 THR CG2 C 21.386 0.400 1 1618 193 193 ILE N N 122.729 0.400 1 1619 193 193 ILE H H 8.194 0.020 1 1620 193 193 ILE CA C 59.498 0.400 1 1621 193 193 ILE HA H 3.893 0.020 1 1622 193 193 ILE CB C 40.542 0.400 1 1623 193 193 ILE HB H 2.266 0.020 1 1624 193 193 ILE HG2 H 1.073 0.020 1 1625 193 193 ILE CG2 C 20.384 0.400 1 1626 193 193 ILE CG1 C 27.140 0.400 1 1627 193 193 ILE HG12 H 1.570 0.020 2 1628 193 193 ILE HG13 H 1.371 0.020 2 1629 193 193 ILE HD1 H 0.780 0.020 1 1630 193 193 ILE CD1 C 14.493 0.400 1 1631 194 194 PRO CA C 65.823 0.400 1 1632 194 194 PRO HA H 4.408 0.020 1 1633 194 194 PRO CB C 30.435 0.400 1 1634 194 194 PRO HB2 H 2.255 0.020 1 1635 194 194 PRO HB3 H 2.255 0.020 1 1636 194 194 PRO CG C 27.633 0.400 1 1637 194 194 PRO HG2 H 2.009 0.020 1 1638 194 194 PRO HG3 H 2.009 0.020 1 1639 195 195 GLU N N 117.982 0.400 1 1640 195 195 GLU H H 7.829 0.020 1 1641 195 195 GLU CA C 59.912 0.400 1 1642 195 195 GLU HA H 3.755 0.020 1 1643 195 195 GLU CB C 29.232 0.400 1 1644 195 195 GLU HB2 H 1.940 0.020 1 1645 195 195 GLU HB3 H 1.940 0.020 1 1646 195 195 GLU CG C 36.567 0.400 1 1647 195 195 GLU HG2 H 2.205 0.020 2 1648 195 195 GLU HG3 H 2.153 0.020 2 1649 196 196 GLU N N 117.284 0.400 1 1650 196 196 GLU H H 9.310 0.020 1 1651 196 196 GLU CA C 59.044 0.400 1 1652 196 196 GLU HA H 4.011 0.020 1 1653 196 196 GLU CB C 28.144 0.400 1 1654 196 196 GLU HB2 H 2.024 0.020 1 1655 196 196 GLU HB3 H 2.024 0.020 1 1656 196 196 GLU HG2 H 2.346 0.020 1 1657 196 196 GLU HG3 H 2.346 0.020 1 1658 197 197 GLU N N 119.767 0.400 1 1659 197 197 GLU H H 6.971 0.020 1 1660 197 197 GLU CA C 57.779 0.400 1 1661 197 197 GLU HA H 4.130 0.020 1 1662 197 197 GLU CB C 29.347 0.400 1 1663 197 197 GLU HB2 H 1.991 0.020 1 1664 197 197 GLU HB3 H 1.991 0.020 1 1665 197 197 GLU CG C 35.426 0.400 1 1666 197 197 GLU HG2 H 2.272 0.020 2 1667 197 197 GLU HG3 H 2.172 0.020 2 1668 198 198 ALA N N 123.002 0.400 1 1669 198 198 ALA H H 8.560 0.020 1 1670 198 198 ALA CA C 54.932 0.400 1 1671 198 198 ALA HA H 3.950 0.020 1 1672 198 198 ALA HB H 1.534 0.020 1 1673 198 198 ALA CB C 16.979 0.400 1 1674 199 199 LYS N N 114.899 0.400 1 1675 199 199 LYS H H 7.639 0.020 1 1676 199 199 LYS CA C 58.563 0.400 1 1677 199 199 LYS HA H 4.023 0.020 1 1678 199 199 LYS CB C 31.769 0.400 1 1679 199 199 LYS HB2 H 1.839 0.020 1 1680 199 199 LYS HB3 H 1.839 0.020 1 1681 199 199 LYS HG2 H 1.420 0.020 1 1682 199 199 LYS HG3 H 1.420 0.020 1 1683 199 199 LYS HD2 H 1.622 0.020 1 1684 199 199 LYS HD3 H 1.622 0.020 1 1685 199 199 LYS HE2 H 2.947 0.020 1 1686 199 199 LYS HE3 H 2.947 0.020 1 1687 200 200 LYS N N 117.346 0.400 1 1688 200 200 LYS H H 6.934 0.020 1 1689 200 200 LYS CA C 57.310 0.400 1 1690 200 200 LYS HA H 4.040 0.020 1 1691 200 200 LYS CB C 32.098 0.400 1 1692 200 200 LYS HB2 H 1.862 0.020 1 1693 200 200 LYS HB3 H 1.862 0.020 1 1694 200 200 LYS HG2 H 1.367 0.020 1 1695 200 200 LYS HG3 H 1.367 0.020 1 1696 200 200 LYS HD2 H 1.546 0.020 1 1697 200 200 LYS HD3 H 1.546 0.020 1 1698 200 200 LYS HE2 H 2.940 0.020 1 1699 200 200 LYS HE3 H 2.940 0.020 1 1700 201 201 LEU N N 119.346 0.400 1 1701 201 201 LEU H H 7.830 0.020 1 1702 201 201 LEU CA C 56.000 0.400 1 1703 201 201 LEU HA H 3.703 0.020 1 1704 201 201 LEU CB C 42.087 0.400 1 1705 201 201 LEU HB2 H 1.695 0.020 1 1706 201 201 LEU HB3 H 1.695 0.020 1 1707 201 201 LEU CG C 26.333 0.400 1 1708 201 201 LEU HG H 1.457 0.020 1 1709 201 201 LEU HD1 H 0.934 0.020 2 1710 201 201 LEU HD2 H 0.924 0.020 2 1711 201 201 LEU CD1 C 24.204 0.400 1 1712 201 201 LEU CD2 C 23.130 0.400 1 1713 202 202 PHE N N 115.669 0.400 1 1714 202 202 PHE H H 7.413 0.020 1 1715 202 202 PHE CA C 54.127 0.400 1 1716 202 202 PHE HA H 5.422 0.020 1 1717 202 202 PHE CB C 37.181 0.400 1 1718 202 202 PHE HB2 H 2.998 0.020 1 1719 202 202 PHE HB3 H 2.998 0.020 1 1720 202 202 PHE HD1 H 7.008 0.020 1 1721 202 202 PHE HE1 H 7.185 0.020 1 1722 202 202 PHE HE2 H 7.185 0.020 1 1723 202 202 PHE HD2 H 7.008 0.020 1 1724 203 203 PRO CA C 63.893 0.400 1 1725 203 203 PRO CB C 31.106 0.400 1 1726 204 204 LYS N N 118.498 0.400 1 1727 204 204 LYS H H 8.986 0.020 1 1728 204 204 LYS CA C 58.353 0.400 1 1729 204 204 LYS HA H 4.229 0.020 1 1730 204 204 LYS CB C 31.257 0.400 1 1731 204 204 LYS HB2 H 1.935 0.020 1 1732 204 204 LYS HB3 H 1.935 0.020 1 1733 205 205 GLY N N 108.357 0.400 1 1734 205 205 GLY H H 7.841 0.020 1 1735 205 205 GLY CA C 43.826 0.400 1 1736 205 205 GLY HA2 H 4.439 0.020 2 1737 205 205 GLY HA3 H 3.581 0.020 2 1738 206 206 VAL N N 123.095 0.400 1 1739 206 206 VAL H H 7.986 0.020 1 1740 206 206 VAL CA C 60.750 0.400 1 1741 206 206 VAL HA H 4.575 0.020 1 1742 206 206 VAL CB C 33.522 0.400 1 1743 206 206 VAL HB H 1.834 0.020 1 1744 206 206 VAL HG1 H 0.747 0.020 2 1745 206 206 VAL HG2 H 0.873 0.020 2 1746 206 206 VAL CG1 C 21.683 0.400 1 1747 206 206 VAL CG2 C 21.422 0.400 1 1748 207 207 PHE N N 130.587 0.400 1 1749 207 207 PHE H H 9.332 0.020 1 1750 207 207 PHE CA C 55.715 0.400 1 1751 207 207 PHE HA H 4.523 0.020 1 1752 207 207 PHE CB C 40.156 0.400 1 1753 207 207 PHE HB2 H 2.982 0.020 1 1754 207 207 PHE HB3 H 2.982 0.020 1 1755 208 208 THR N N 123.168 0.400 1 1756 208 208 THR H H 8.535 0.020 1 1757 208 208 THR CA C 61.689 0.400 1 1758 208 208 THR HA H 4.439 0.020 1 1759 208 208 THR CB C 69.206 0.400 1 1760 208 208 THR HB H 4.185 0.020 1 1761 208 208 THR HG2 H 1.219 0.020 1 1762 208 208 THR CG2 C 21.864 0.400 1 1763 209 209 LYS N N 129.388 0.400 1 1764 209 209 LYS H H 8.468 0.020 1 1765 209 209 LYS CA C 54.023 0.400 1 1766 209 209 LYS HA H 4.521 0.020 1 1767 209 209 LYS CB C 32.505 0.400 1 1768 209 209 LYS HB2 H 1.841 0.020 2 1769 209 209 LYS HB3 H 1.790 0.020 2 1770 209 209 LYS HG2 H 1.536 0.020 1 1771 209 209 LYS HG3 H 1.536 0.020 1 1772 209 209 LYS HE2 H 2.918 0.020 1 1773 209 209 LYS HE3 H 2.918 0.020 1 1774 210 210 GLU N N 126.985 0.400 1 1775 210 210 GLU H H 8.514 0.020 1 1776 210 210 GLU CA C 55.935 0.400 1 1777 210 210 GLU HA H 4.327 0.020 1 1778 210 210 GLU CB C 28.891 0.400 1 1779 210 210 GLU HB2 H 1.958 0.020 2 1780 210 210 GLU HB3 H 1.843 0.020 2 1781 210 210 GLU HG2 H 2.315 0.020 2 1782 210 210 GLU HG3 H 2.149 0.020 2 1783 211 211 LEU N N 125.520 0.400 1 1784 211 211 LEU H H 9.073 0.020 1 1785 211 211 LEU CA C 52.381 0.400 1 1786 211 211 LEU HA H 5.800 0.020 1 1787 211 211 LEU CB C 43.735 0.400 1 1788 211 211 LEU HB2 H 1.864 0.020 2 1789 211 211 LEU HB3 H 1.551 0.020 2 1790 211 211 LEU CG C 27.851 0.400 1 1791 211 211 LEU HG H 1.508 0.020 1 1792 211 211 LEU HD1 H 0.831 0.020 2 1793 211 211 LEU HD2 H 0.760 0.020 2 1794 211 211 LEU CD1 C 25.600 0.400 1 1795 211 211 LEU CD2 C 24.249 0.400 1 1796 212 212 PRO CA C 65.469 0.400 1 1797 212 212 PRO HA H 4.524 0.020 1 1798 212 212 PRO CB C 30.816 0.400 1 1799 212 212 PRO HB2 H 2.467 0.020 2 1800 212 212 PRO HB3 H 2.045 0.020 2 1801 212 212 PRO CG C 26.051 0.400 1 1802 212 212 PRO HG2 H 2.024 0.020 1 1803 212 212 PRO HG3 H 2.024 0.020 1 1804 212 212 PRO HD2 H 3.790 0.020 1 1805 212 212 PRO HD3 H 3.790 0.020 1 1806 213 213 SER N N 112.821 0.400 1 1807 213 213 SER H H 9.534 0.020 1 1808 213 213 SER CA C 60.337 0.400 1 1809 213 213 SER HA H 4.424 0.020 1 1810 213 213 SER CB C 62.364 0.400 1 1811 213 213 SER HB2 H 3.809 0.020 1 1812 213 213 SER HB3 H 3.809 0.020 1 1813 214 214 GLY N N 111.347 0.400 1 1814 214 214 GLY H H 8.444 0.020 1 1815 214 214 GLY CA C 45.276 0.400 1 1816 214 214 GLY HA2 H 3.944 0.020 1 1817 214 214 GLY HA3 H 3.944 0.020 1 1818 215 215 LYS N N 120.191 0.400 1 1819 215 215 LYS H H 7.660 0.020 1 1820 215 215 LYS CA C 55.562 0.400 1 1821 215 215 LYS HA H 4.309 0.020 1 1822 215 215 LYS CB C 33.649 0.400 1 1823 215 215 LYS HG2 H 1.332 0.020 1 1824 215 215 LYS HG3 H 1.332 0.020 1 1825 215 215 LYS HD2 H 1.867 0.020 1 1826 215 215 LYS HD3 H 1.867 0.020 1 1827 216 216 LYS CA C 55.168 0.400 1 1828 216 216 LYS CB C 29.646 0.400 1 1829 217 217 TYR N N 111.483 0.400 1 1830 217 217 TYR H H 6.343 0.020 1 1831 217 217 TYR CA C 55.646 0.400 1 1832 217 217 TYR HA H 4.726 0.020 1 1833 217 217 TYR CB C 38.803 0.400 1 1834 217 217 TYR HB2 H 2.927 0.020 1 1835 217 217 TYR HB3 H 2.927 0.020 1 1836 217 217 TYR HD1 H 6.692 0.020 1 1837 217 217 TYR HE1 H 6.959 0.020 1 1838 217 217 TYR HE2 H 6.959 0.020 1 1839 217 217 TYR HD2 H 6.692 0.020 1 1840 218 218 LEU N N 134.661 0.400 1 1841 218 218 LEU H H 9.138 0.020 1 1842 218 218 LEU CA C 53.269 0.400 1 1843 218 218 LEU HA H 4.324 0.020 1 1844 218 218 LEU CB C 37.207 0.400 1 1845 218 218 LEU HB2 H 2.437 0.020 1 1846 218 218 LEU HB3 H 2.437 0.020 1 1847 218 218 LEU CG C 27.582 0.400 1 1848 218 218 LEU HG H 1.566 0.020 1 1849 218 218 LEU HD1 H 1.070 0.020 2 1850 218 218 LEU HD2 H 0.827 0.020 2 1851 218 218 LEU CD1 C 26.023 0.400 1 1852 218 218 LEU CD2 C 23.886 0.400 1 1853 219 219 ARG N N 122.779 0.400 1 1854 219 219 ARG H H 6.644 0.020 1 1855 219 219 ARG CA C 53.971 0.400 1 1856 219 219 ARG HA H 4.715 0.020 1 1857 219 219 ARG CB C 32.863 0.400 1 1858 219 219 ARG HB2 H 1.850 0.020 1 1859 219 219 ARG HB3 H 1.850 0.020 1 1860 219 219 ARG HD2 H 2.832 0.020 1 1861 219 219 ARG HD3 H 2.832 0.020 1 1862 220 220 TYR N N 122.828 0.400 1 1863 220 220 TYR H H 9.154 0.020 1 1864 220 220 TYR CA C 55.542 0.400 1 1865 220 220 TYR HA H 5.363 0.020 1 1866 220 220 TYR CB C 41.957 0.400 1 1867 220 220 TYR HB2 H 3.001 0.020 1 1868 220 220 TYR HB3 H 3.001 0.020 1 1869 220 220 TYR HD1 H 6.716 0.020 1 1870 220 220 TYR HE1 H 7.041 0.020 1 1871 220 220 TYR HE2 H 7.041 0.020 1 1872 220 220 TYR HD2 H 6.716 0.020 1 1873 221 221 THR N N 117.703 0.400 1 1874 221 221 THR H H 9.100 0.020 1 1875 221 221 THR CA C 57.799 0.400 1 1876 221 221 THR HA H 5.299 0.020 1 1877 221 221 THR CB C 72.239 0.400 1 1878 221 221 THR HB H 3.599 0.020 1 1879 221 221 THR HG2 H 0.317 0.020 1 1880 221 221 THR CG2 C 17.320 0.400 1 1881 222 222 PRO CA C 62.093 0.400 1 1882 222 222 PRO CB C 31.278 0.400 1 1883 223 223 GLN N N 124.740 0.400 1 1884 223 223 GLN H H 8.727 0.020 1 1885 223 223 GLN CA C 55.469 0.400 1 1886 223 223 GLN HA H 4.126 0.020 1 1887 223 223 GLN CB C 27.572 0.400 1 1888 223 223 GLN CG C 35.856 0.400 1 1889 223 223 GLN HG2 H 2.274 0.020 2 1890 223 223 GLN HG3 H 2.246 0.020 2 stop_ save_