data_19551 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for human FK506 binding Protein 25 ; _BMRB_accession_number 19551 _BMRB_flat_file_name bmr19551.str _Entry_type original _Submission_date 2013-10-12 _Accession_date 2013-10-12 _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 Shin Joon . . 2 Prakash Ajit . . 3 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1394 "13C chemical shifts" 945 "15N chemical shifts" 229 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-12 original author . stop_ _Original_release_date 2014-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of human FK506 binding protein 25.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24414276 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prakash Ajit . . 2 Shin Joon . . 3 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hFKBP25 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hFKBP25 $hFKBP25 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_hFKBP25 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hFKBP25 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 224 _Mol_residue_sequence ; MAAAVPQRAWTVEQLRSEQL PKKDIIKFLQEHGSDSFLAE HKLLGNIKNVAKTANKDHLV TAYNHLFETKRFKGTESISK VSEQVKNVKLNEDKPKETKS EETLDEGPPKYTKSVLKKGD KTNFPKKGDVVHCWYTGTLQ DGTVFDTNIQTSAKKKKNAK PLSFKVGVGKVIRGWDEALL TMSKGEKARLEIEPEWAYGK KGQPDAKIPPNAKLTFEVEL VDID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 ALA 4 4 ALA 5 5 VAL 6 6 PRO 7 7 GLN 8 8 ARG 9 9 ALA 10 10 TRP 11 11 THR 12 12 VAL 13 13 GLU 14 14 GLN 15 15 LEU 16 16 ARG 17 17 SER 18 18 GLU 19 19 GLN 20 20 LEU 21 21 PRO 22 22 LYS 23 23 LYS 24 24 ASP 25 25 ILE 26 26 ILE 27 27 LYS 28 28 PHE 29 29 LEU 30 30 GLN 31 31 GLU 32 32 HIS 33 33 GLY 34 34 SER 35 35 ASP 36 36 SER 37 37 PHE 38 38 LEU 39 39 ALA 40 40 GLU 41 41 HIS 42 42 LYS 43 43 LEU 44 44 LEU 45 45 GLY 46 46 ASN 47 47 ILE 48 48 LYS 49 49 ASN 50 50 VAL 51 51 ALA 52 52 LYS 53 53 THR 54 54 ALA 55 55 ASN 56 56 LYS 57 57 ASP 58 58 HIS 59 59 LEU 60 60 VAL 61 61 THR 62 62 ALA 63 63 TYR 64 64 ASN 65 65 HIS 66 66 LEU 67 67 PHE 68 68 GLU 69 69 THR 70 70 LYS 71 71 ARG 72 72 PHE 73 73 LYS 74 74 GLY 75 75 THR 76 76 GLU 77 77 SER 78 78 ILE 79 79 SER 80 80 LYS 81 81 VAL 82 82 SER 83 83 GLU 84 84 GLN 85 85 VAL 86 86 LYS 87 87 ASN 88 88 VAL 89 89 LYS 90 90 LEU 91 91 ASN 92 92 GLU 93 93 ASP 94 94 LYS 95 95 PRO 96 96 LYS 97 97 GLU 98 98 THR 99 99 LYS 100 100 SER 101 101 GLU 102 102 GLU 103 103 THR 104 104 LEU 105 105 ASP 106 106 GLU 107 107 GLY 108 108 PRO 109 109 PRO 110 110 LYS 111 111 TYR 112 112 THR 113 113 LYS 114 114 SER 115 115 VAL 116 116 LEU 117 117 LYS 118 118 LYS 119 119 GLY 120 120 ASP 121 121 LYS 122 122 THR 123 123 ASN 124 124 PHE 125 125 PRO 126 126 LYS 127 127 LYS 128 128 GLY 129 129 ASP 130 130 VAL 131 131 VAL 132 132 HIS 133 133 CYS 134 134 TRP 135 135 TYR 136 136 THR 137 137 GLY 138 138 THR 139 139 LEU 140 140 GLN 141 141 ASP 142 142 GLY 143 143 THR 144 144 VAL 145 145 PHE 146 146 ASP 147 147 THR 148 148 ASN 149 149 ILE 150 150 GLN 151 151 THR 152 152 SER 153 153 ALA 154 154 LYS 155 155 LYS 156 156 LYS 157 157 LYS 158 158 ASN 159 159 ALA 160 160 LYS 161 161 PRO 162 162 LEU 163 163 SER 164 164 PHE 165 165 LYS 166 166 VAL 167 167 GLY 168 168 VAL 169 169 GLY 170 170 LYS 171 171 VAL 172 172 ILE 173 173 ARG 174 174 GLY 175 175 TRP 176 176 ASP 177 177 GLU 178 178 ALA 179 179 LEU 180 180 LEU 181 181 THR 182 182 MET 183 183 SER 184 184 LYS 185 185 GLY 186 186 GLU 187 187 LYS 188 188 ALA 189 189 ARG 190 190 LEU 191 191 GLU 192 192 ILE 193 193 GLU 194 194 PRO 195 195 GLU 196 196 TRP 197 197 ALA 198 198 TYR 199 199 GLY 200 200 LYS 201 201 LYS 202 202 GLY 203 203 GLN 204 204 PRO 205 205 ASP 206 206 ALA 207 207 LYS 208 208 ILE 209 209 PRO 210 210 PRO 211 211 ASN 212 212 ALA 213 213 LYS 214 214 LEU 215 215 THR 216 216 PHE 217 217 GLU 218 218 VAL 219 219 GLU 220 220 LEU 221 221 VAL 222 222 ASP 223 223 ILE 224 224 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 1PBK "Homologous Domain Of Human Fkbp25" 51.79 116 100.00 100.00 9.42e-77 PDB 2MPH "Solution Structure Of Human Fk506 Binding Protein 25" 100.00 224 100.00 100.00 1.35e-160 DBJ BAD96713 "FK506-binding protein 3 variant [Homo sapiens]" 100.00 224 99.11 100.00 1.14e-159 DBJ BAE01700 "unnamed protein product [Macaca fascicularis]" 100.00 224 99.55 99.55 9.81e-160 DBJ BAE87176 "unnamed protein product [Macaca fascicularis]" 100.00 224 99.11 99.11 4.90e-159 DBJ BAG34856 "unnamed protein product [Homo sapiens]" 100.00 224 100.00 100.00 1.35e-160 DBJ BAI46571 "FK506 binding protein 3, 25kDa [synthetic construct]" 100.00 224 100.00 100.00 1.35e-160 GB AAA30348 "FK506-binding protein [Bos taurus]" 100.00 224 97.77 99.55 3.55e-158 GB AAA58471 "rapamycin binding protein [Homo sapiens]" 100.00 224 100.00 100.00 1.35e-160 GB AAA58475 "FK506-binding protein 25 [Homo sapiens]" 100.00 224 100.00 100.00 1.35e-160 GB AAH16288 "FK506 binding protein 3, 25kDa [Homo sapiens]" 100.00 224 100.00 100.00 1.35e-160 GB AAH20809 "FK506 binding protein 3, 25kDa [Homo sapiens]" 100.00 224 100.00 100.00 1.35e-160 REF NP_001033201 "peptidyl-prolyl cis-trans isomerase FKBP3 [Bos taurus]" 100.00 224 97.77 99.55 3.55e-158 REF NP_001270679 "uncharacterized protein LOC101866842 [Macaca fascicularis]" 100.00 224 99.55 99.55 9.81e-160 REF NP_002004 "peptidyl-prolyl cis-trans isomerase FKBP3 [Homo sapiens]" 100.00 224 100.00 100.00 1.35e-160 REF XP_001096116 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP3 [Macaca mulatta]" 100.00 249 99.55 99.55 7.37e-160 REF XP_002753901 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP3 [Callithrix jacchus]" 100.00 224 99.11 99.55 3.41e-159 SP P26884 "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP3; Short=PPIase FKBP3; AltName: Full=25 kDa FK506-binding protein; Short=" 100.00 224 97.77 99.55 3.55e-158 SP Q00688 "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP3; Short=PPIase FKBP3; AltName: Full=25 kDa FK506-binding protein; Short=" 100.00 224 100.00 100.00 1.35e-160 TPG DAA17319 "TPA: FK506 binding protein 3, 25kDa [Bos taurus]" 100.00 224 97.77 99.55 3.55e-158 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hFKBP25 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 $hFKBP25 'recombinant technology' . Escherichia coli . pSUMO 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 $hFKBP25 0.5 mM '[U-13C; U-15N]' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hFKBP25 0.5 mM [U-15N] D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.001 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hFKBP25 0.5 mM [U-13C] D2O 100 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium phosphate' 0.001 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 7 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D C(CO)NH' '3D H(CCO)NH' '3D HNHA' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hFKBP25 _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 ALA HA H 4.171 0.020 1 2 2 2 ALA HB H 1.261 0.020 1 3 2 2 ALA C C 176.902 0.400 1 4 2 2 ALA CA C 52.244 0.400 1 5 2 2 ALA CB C 19.250 0.400 1 6 3 3 ALA H H 8.234 0.020 1 7 3 3 ALA HA H 4.238 0.020 1 8 3 3 ALA HB H 1.269 0.020 1 9 3 3 ALA C C 176.978 0.400 1 10 3 3 ALA CA C 52.168 0.400 1 11 3 3 ALA CB C 19.446 0.400 1 12 3 3 ALA N N 123.993 0.400 1 13 4 4 ALA H H 8.161 0.020 1 14 4 4 ALA HA H 4.175 0.020 1 15 4 4 ALA HB H 1.216 0.020 1 16 4 4 ALA C C 177.058 0.400 1 17 4 4 ALA CA C 52.022 0.400 1 18 4 4 ALA CB C 19.226 0.400 1 19 4 4 ALA N N 123.956 0.400 1 20 5 5 VAL H H 7.844 0.020 1 21 5 5 VAL HA H 3.840 0.020 1 22 5 5 VAL HB H 1.597 0.020 1 23 5 5 VAL HG1 H 0.696 0.020 2 24 5 5 VAL HG2 H 0.728 0.020 2 25 5 5 VAL C C 173.923 0.400 1 26 5 5 VAL CA C 59.170 0.400 1 27 5 5 VAL CB C 32.288 0.400 1 28 5 5 VAL CG1 C 21.093 0.400 1 29 5 5 VAL CG2 C 20.230 0.400 1 30 5 5 VAL N N 120.309 0.400 1 31 6 6 PRO HA H 4.126 0.020 1 32 6 6 PRO HB2 H 1.454 0.020 2 33 6 6 PRO HB3 H 1.454 0.020 2 34 6 6 PRO HG2 H 1.272 0.020 2 35 6 6 PRO HG3 H 1.208 0.020 2 36 6 6 PRO HD2 H 3.057 0.020 2 37 6 6 PRO HD3 H 2.044 0.020 2 38 6 6 PRO C C 175.242 0.400 1 39 6 6 PRO CA C 62.342 0.400 1 40 6 6 PRO CB C 31.630 0.400 1 41 6 6 PRO CG C 27.144 0.400 1 42 6 6 PRO CD C 49.630 0.400 1 43 7 7 GLN H H 8.099 0.020 1 44 7 7 GLN HA H 4.098 0.020 1 45 7 7 GLN HB2 H 1.749 0.020 2 46 7 7 GLN HB3 H 1.682 0.020 2 47 7 7 GLN HG2 H 2.171 0.020 2 48 7 7 GLN HG3 H 2.132 0.020 2 49 7 7 GLN HE21 H 7.370 0.020 2 50 7 7 GLN HE22 H 6.726 0.020 2 51 7 7 GLN C C 175.645 0.400 1 52 7 7 GLN CA C 54.504 0.400 1 53 7 7 GLN CB C 29.954 0.400 1 54 7 7 GLN CG C 33.464 0.400 1 55 7 7 GLN N N 118.157 0.400 1 56 7 7 GLN NE2 N 113.058 0.400 1 57 8 8 ARG H H 8.293 0.020 1 58 8 8 ARG HA H 3.411 0.020 1 59 8 8 ARG HB2 H 1.217 0.020 2 60 8 8 ARG HB3 H 0.355 0.020 2 61 8 8 ARG HG2 H 0.803 0.020 2 62 8 8 ARG HG3 H 0.776 0.020 2 63 8 8 ARG HD2 H 2.729 0.020 2 64 8 8 ARG HD3 H 2.535 0.020 2 65 8 8 ARG C C 175.347 0.400 1 66 8 8 ARG CA C 55.818 0.400 1 67 8 8 ARG CB C 28.752 0.400 1 68 8 8 ARG CG C 27.613 0.400 1 69 8 8 ARG CD C 43.862 0.400 1 70 8 8 ARG N N 124.808 0.400 1 71 9 9 ALA H H 7.192 0.020 1 72 9 9 ALA HA H 3.885 0.020 1 73 9 9 ALA HB H 0.385 0.020 1 74 9 9 ALA C C 177.040 0.400 1 75 9 9 ALA CA C 52.857 0.400 1 76 9 9 ALA CB C 19.248 0.400 1 77 9 9 ALA N N 128.431 0.400 1 78 10 10 TRP H H 7.042 0.020 1 79 10 10 TRP HA H 5.415 0.020 1 80 10 10 TRP HB2 H 2.633 0.020 2 81 10 10 TRP HB3 H 2.522 0.020 2 82 10 10 TRP HD1 H 6.874 0.020 1 83 10 10 TRP HE1 H 10.045 0.020 1 84 10 10 TRP HE3 H 6.750 0.020 1 85 10 10 TRP HZ2 H 7.331 0.020 1 86 10 10 TRP HZ3 H 6.514 0.020 1 87 10 10 TRP HH2 H 6.934 0.020 1 88 10 10 TRP C C 176.973 0.400 1 89 10 10 TRP CA C 55.364 0.400 1 90 10 10 TRP CB C 30.821 0.400 1 91 10 10 TRP CE3 C 121.025 0.400 1 92 10 10 TRP CH2 C 122.768 0.400 1 93 10 10 TRP N N 114.891 0.400 1 94 10 10 TRP NE1 N 130.000 0.400 1 95 11 11 THR H H 8.785 0.020 1 96 11 11 THR HA H 4.398 0.020 1 97 11 11 THR HB H 4.667 0.020 1 98 11 11 THR HG2 H 1.235 0.020 1 99 11 11 THR C C 175.522 0.400 1 100 11 11 THR CA C 60.047 0.400 1 101 11 11 THR CB C 71.163 0.400 1 102 11 11 THR CG2 C 21.737 0.400 1 103 11 11 THR N N 114.480 0.400 1 104 12 12 VAL H H 8.839 0.020 1 105 12 12 VAL HA H 3.556 0.020 1 106 12 12 VAL HB H 2.000 0.020 1 107 12 12 VAL HG1 H 1.047 0.020 2 108 12 12 VAL HG2 H 0.898 0.020 2 109 12 12 VAL C C 176.966 0.400 1 110 12 12 VAL CA C 67.169 0.400 1 111 12 12 VAL CB C 31.129 0.400 1 112 12 12 VAL CG1 C 22.861 0.400 1 113 12 12 VAL CG2 C 21.407 0.400 1 114 12 12 VAL N N 120.355 0.400 1 115 13 13 GLU H H 8.328 0.020 1 116 13 13 GLU HA H 3.767 0.020 1 117 13 13 GLU HB2 H 1.926 0.020 2 118 13 13 GLU HB3 H 1.776 0.020 2 119 13 13 GLU HG2 H 2.268 0.020 2 120 13 13 GLU HG3 H 2.125 0.020 2 121 13 13 GLU C C 179.711 0.400 1 122 13 13 GLU CA C 60.263 0.400 1 123 13 13 GLU CB C 28.700 0.400 1 124 13 13 GLU CG C 36.860 0.400 1 125 13 13 GLU N N 118.340 0.400 1 126 14 14 GLN H H 7.531 0.020 1 127 14 14 GLN HA H 3.794 0.020 1 128 14 14 GLN HB2 H 2.306 0.020 2 129 14 14 GLN HB3 H 1.710 0.020 2 130 14 14 GLN HG2 H 2.352 0.020 2 131 14 14 GLN HG3 H 2.304 0.020 2 132 14 14 GLN HE21 H 7.478 0.020 2 133 14 14 GLN HE22 H 6.812 0.020 2 134 14 14 GLN C C 178.982 0.400 1 135 14 14 GLN CA C 58.781 0.400 1 136 14 14 GLN CB C 28.656 0.400 1 137 14 14 GLN CG C 34.926 0.400 1 138 14 14 GLN N N 118.749 0.400 1 139 14 14 GLN NE2 N 110.564 0.400 1 140 15 15 LEU H H 8.051 0.020 1 141 15 15 LEU HA H 3.441 0.020 1 142 15 15 LEU HB2 H 1.881 0.020 2 143 15 15 LEU HB3 H 0.951 0.020 2 144 15 15 LEU HG H 1.387 0.020 1 145 15 15 LEU HD1 H 0.508 0.020 2 146 15 15 LEU HD2 H -0.054 0.020 2 147 15 15 LEU C C 178.090 0.400 1 148 15 15 LEU CA C 57.473 0.400 1 149 15 15 LEU CB C 43.181 0.400 1 150 15 15 LEU CG C 26.435 0.400 1 151 15 15 LEU CD1 C 26.943 0.400 1 152 15 15 LEU CD2 C 23.818 0.400 1 153 15 15 LEU N N 118.269 0.400 1 154 16 16 ARG H H 7.564 0.020 1 155 16 16 ARG HA H 3.667 0.020 1 156 16 16 ARG HB2 H 1.789 0.020 2 157 16 16 ARG HB3 H 1.577 0.020 2 158 16 16 ARG HG2 H 1.729 0.020 2 159 16 16 ARG HG3 H 1.383 0.020 2 160 16 16 ARG HD2 H 3.021 0.020 2 161 16 16 ARG HD3 H 2.989 0.020 2 162 16 16 ARG C C 176.142 0.400 1 163 16 16 ARG CA C 57.532 0.400 1 164 16 16 ARG CB C 30.455 0.400 1 165 16 16 ARG CG C 28.831 0.400 1 166 16 16 ARG CD C 43.277 0.400 1 167 16 16 ARG N N 113.420 0.400 1 168 17 17 SER H H 7.164 0.020 1 169 17 17 SER HA H 4.163 0.020 1 170 17 17 SER HB2 H 3.958 0.020 2 171 17 17 SER HB3 H 3.871 0.020 2 172 17 17 SER C C 175.380 0.400 1 173 17 17 SER CA C 58.156 0.400 1 174 17 17 SER CB C 63.787 0.400 1 175 17 17 SER N N 115.770 0.400 1 176 18 18 GLU H H 8.867 0.020 1 177 18 18 GLU HA H 4.040 0.020 1 178 18 18 GLU HB2 H 1.977 0.020 2 179 18 18 GLU HB3 H 1.871 0.020 2 180 18 18 GLU HG2 H 2.257 0.020 2 181 18 18 GLU HG3 H 2.207 0.020 2 182 18 18 GLU C C 177.506 0.400 1 183 18 18 GLU CA C 57.531 0.400 1 184 18 18 GLU CB C 29.132 0.400 1 185 18 18 GLU CG C 36.155 0.400 1 186 18 18 GLU N N 124.392 0.400 1 187 19 19 GLN H H 7.968 0.020 1 188 19 19 GLN HA H 3.934 0.020 1 189 19 19 GLN HB2 H 2.018 0.020 2 190 19 19 GLN HB3 H 1.838 0.020 2 191 19 19 GLN HG2 H 2.277 0.020 2 192 19 19 GLN HG3 H 2.253 0.020 2 193 19 19 GLN HE21 H 7.470 0.020 2 194 19 19 GLN HE22 H 6.784 0.020 2 195 19 19 GLN C C 174.957 0.400 1 196 19 19 GLN CA C 57.044 0.400 1 197 19 19 GLN CB C 28.430 0.400 1 198 19 19 GLN CG C 34.180 0.400 1 199 19 19 GLN N N 115.833 0.400 1 200 19 19 GLN NE2 N 112.480 0.400 1 201 20 20 LEU H H 7.041 0.020 1 202 20 20 LEU HA H 4.671 0.020 1 203 20 20 LEU HB2 H 1.479 0.020 2 204 20 20 LEU HB3 H 0.776 0.020 2 205 20 20 LEU HG H 0.743 0.020 1 206 20 20 LEU HD1 H -0.587 0.020 2 207 20 20 LEU HD2 H 0.173 0.020 2 208 20 20 LEU C C 173.005 0.400 1 209 20 20 LEU CA C 51.123 0.400 1 210 20 20 LEU CB C 42.372 0.400 1 211 20 20 LEU CG C 26.639 0.400 1 212 20 20 LEU CD1 C 24.062 0.400 1 213 20 20 LEU CD2 C 22.998 0.400 1 214 20 20 LEU N N 123.224 0.400 1 215 21 21 PRO HA H 4.347 0.020 1 216 21 21 PRO HB2 H 2.345 0.020 2 217 21 21 PRO HB3 H 1.803 0.020 2 218 21 21 PRO HG2 H 1.892 0.020 2 219 21 21 PRO HG3 H 1.843 0.020 2 220 21 21 PRO HD2 H 3.972 0.020 2 221 21 21 PRO HD3 H 3.641 0.020 2 222 21 21 PRO C C 177.827 0.400 1 223 21 21 PRO CA C 62.252 0.400 1 224 21 21 PRO CB C 32.728 0.400 1 225 21 21 PRO CG C 27.660 0.400 1 226 21 21 PRO CD C 51.320 0.400 1 227 22 22 LYS H H 8.756 0.020 1 228 22 22 LYS HA H 3.485 0.020 1 229 22 22 LYS HB2 H 1.861 0.020 2 230 22 22 LYS HB3 H 1.416 0.020 2 231 22 22 LYS HG2 H 1.662 0.020 2 232 22 22 LYS HG3 H 1.096 0.020 2 233 22 22 LYS HD2 H 1.803 0.020 2 234 22 22 LYS HD3 H 1.803 0.020 2 235 22 22 LYS HE2 H 3.012 0.020 2 236 22 22 LYS HE3 H 2.937 0.020 2 237 22 22 LYS C C 179.053 0.400 1 238 22 22 LYS CA C 60.946 0.400 1 239 22 22 LYS CB C 32.455 0.400 1 240 22 22 LYS CG C 26.482 0.400 1 241 22 22 LYS CD C 29.779 0.400 1 242 22 22 LYS N N 121.229 0.400 1 243 23 23 LYS H H 8.832 0.020 1 244 23 23 LYS HA H 3.742 0.020 1 245 23 23 LYS HB2 H 1.789 0.020 2 246 23 23 LYS HB3 H 1.713 0.020 2 247 23 23 LYS HG2 H 1.455 0.020 2 248 23 23 LYS HG3 H 1.237 0.020 2 249 23 23 LYS HD2 H 1.639 0.020 2 250 23 23 LYS HD3 H 1.639 0.020 2 251 23 23 LYS HE2 H 2.865 0.020 2 252 23 23 LYS HE3 H 2.865 0.020 2 253 23 23 LYS C C 176.848 0.400 1 254 23 23 LYS CA C 59.992 0.400 1 255 23 23 LYS CB C 31.626 0.400 1 256 23 23 LYS CG C 24.730 0.400 1 257 23 23 LYS CD C 29.437 0.400 1 258 23 23 LYS N N 115.295 0.400 1 259 24 24 ASP H H 7.151 0.020 1 260 24 24 ASP HA H 4.441 0.020 1 261 24 24 ASP HB2 H 2.583 0.020 2 262 24 24 ASP HB3 H 2.583 0.020 2 263 24 24 ASP C C 179.228 0.400 1 264 24 24 ASP CA C 57.412 0.400 1 265 24 24 ASP CB C 39.910 0.400 1 266 24 24 ASP N N 120.467 0.400 1 267 25 25 ILE H H 7.121 0.020 1 268 25 25 ILE HA H 3.904 0.020 1 269 25 25 ILE HB H 1.758 0.020 1 270 25 25 ILE HG12 H 1.210 0.020 2 271 25 25 ILE HG13 H 0.057 0.020 2 272 25 25 ILE HG2 H 0.895 0.020 1 273 25 25 ILE HD1 H 0.483 0.020 1 274 25 25 ILE C C 178.065 0.400 1 275 25 25 ILE CA C 64.997 0.400 1 276 25 25 ILE CB C 38.592 0.400 1 277 25 25 ILE CG1 C 26.862 0.400 1 278 25 25 ILE CG2 C 18.064 0.400 1 279 25 25 ILE CD1 C 14.753 0.400 1 280 25 25 ILE N N 120.668 0.400 1 281 26 26 ILE H H 8.286 0.020 1 282 26 26 ILE HA H 3.488 0.020 1 283 26 26 ILE HB H 1.682 0.020 1 284 26 26 ILE HG12 H 1.797 0.020 2 285 26 26 ILE HG13 H 0.712 0.020 2 286 26 26 ILE HG2 H 0.855 0.020 1 287 26 26 ILE HD1 H 0.710 0.020 1 288 26 26 ILE C C 176.961 0.400 1 289 26 26 ILE CA C 66.412 0.400 1 290 26 26 ILE CB C 38.115 0.400 1 291 26 26 ILE CG1 C 30.939 0.400 1 292 26 26 ILE CG2 C 18.879 0.400 1 293 26 26 ILE CD1 C 14.111 0.400 1 294 26 26 ILE N N 118.844 0.400 1 295 27 27 LYS H H 8.433 0.020 1 296 27 27 LYS HA H 3.968 0.020 1 297 27 27 LYS HB2 H 1.973 0.020 2 298 27 27 LYS HB3 H 1.973 0.020 2 299 27 27 LYS HG2 H 1.529 0.020 2 300 27 27 LYS HG3 H 1.434 0.020 2 301 27 27 LYS HD2 H 1.713 0.020 2 302 27 27 LYS HD3 H 1.713 0.020 2 303 27 27 LYS HE2 H 2.958 0.020 2 304 27 27 LYS HE3 H 2.958 0.020 2 305 27 27 LYS C C 178.047 0.400 1 306 27 27 LYS CA C 60.230 0.400 1 307 27 27 LYS CB C 32.718 0.400 1 308 27 27 LYS CG C 24.925 0.400 1 309 27 27 LYS CD C 29.487 0.400 1 310 27 27 LYS N N 119.690 0.400 1 311 28 28 PHE H H 7.582 0.020 1 312 28 28 PHE HA H 4.451 0.020 1 313 28 28 PHE HB2 H 3.705 0.020 2 314 28 28 PHE HB3 H 3.626 0.020 2 315 28 28 PHE HD1 H 7.343 0.020 1 316 28 28 PHE HD2 H 7.343 0.020 1 317 28 28 PHE HE1 H 7.039 0.020 1 318 28 28 PHE HE2 H 7.039 0.020 1 319 28 28 PHE HZ H 6.942 0.020 1 320 28 28 PHE C C 178.170 0.400 1 321 28 28 PHE CA C 62.465 0.400 1 322 28 28 PHE CB C 39.562 0.400 1 323 28 28 PHE CD1 C 133.327 0.400 1 324 28 28 PHE CE1 C 131.696 0.400 1 325 28 28 PHE CZ C 129.158 0.400 1 326 28 28 PHE N N 118.028 0.400 1 327 29 29 LEU H H 8.615 0.020 1 328 29 29 LEU HA H 3.898 0.020 1 329 29 29 LEU HB2 H 2.198 0.020 2 330 29 29 LEU HB3 H 1.341 0.020 2 331 29 29 LEU HG H 2.461 0.020 1 332 29 29 LEU HD1 H 1.015 0.020 2 333 29 29 LEU HD2 H 1.141 0.020 2 334 29 29 LEU C C 178.597 0.400 1 335 29 29 LEU CA C 58.618 0.400 1 336 29 29 LEU CB C 41.722 0.400 1 337 29 29 LEU CG C 27.208 0.400 1 338 29 29 LEU CD1 C 27.865 0.400 1 339 29 29 LEU CD2 C 24.395 0.400 1 340 29 29 LEU N N 119.587 0.400 1 341 30 30 GLN H H 9.000 0.020 1 342 30 30 GLN HA H 4.146 0.020 1 343 30 30 GLN HB2 H 2.147 0.020 2 344 30 30 GLN HB3 H 1.956 0.020 2 345 30 30 GLN HG2 H 2.817 0.020 2 346 30 30 GLN HG3 H 2.205 0.020 2 347 30 30 GLN HE21 H 7.844 0.020 2 348 30 30 GLN HE22 H 6.977 0.020 2 349 30 30 GLN C C 177.951 0.400 1 350 30 30 GLN CA C 58.996 0.400 1 351 30 30 GLN CB C 27.940 0.400 1 352 30 30 GLN CG C 34.735 0.400 1 353 30 30 GLN N N 116.588 0.400 1 354 30 30 GLN NE2 N 108.749 0.400 1 355 31 31 GLU H H 7.845 0.020 1 356 31 31 GLU HA H 3.908 0.020 1 357 31 31 GLU HB2 H 1.830 0.020 2 358 31 31 GLU HB3 H 1.404 0.020 2 359 31 31 GLU HG2 H 2.044 0.020 2 360 31 31 GLU HG3 H 1.604 0.020 2 361 31 31 GLU C C 177.650 0.400 1 362 31 31 GLU CA C 57.986 0.400 1 363 31 31 GLU CB C 29.791 0.400 1 364 31 31 GLU CG C 36.242 0.400 1 365 31 31 GLU N N 116.930 0.400 1 366 32 32 HIS H H 7.255 0.020 1 367 32 32 HIS HA H 4.602 0.020 1 368 32 32 HIS HB2 H 2.857 0.020 2 369 32 32 HIS HB3 H 1.973 0.020 2 370 32 32 HIS HD2 H 6.028 0.020 1 371 32 32 HIS HE1 H 7.563 0.020 1 372 32 32 HIS C C 175.888 0.400 1 373 32 32 HIS CA C 57.517 0.400 1 374 32 32 HIS CB C 31.656 0.400 1 375 32 32 HIS CE1 C 137.899 0.400 1 376 32 32 HIS N N 111.870 0.400 1 377 33 33 GLY H H 8.705 0.020 1 378 33 33 GLY HA2 H 4.130 0.020 2 379 33 33 GLY HA3 H 3.309 0.020 2 380 33 33 GLY C C 172.044 0.400 1 381 33 33 GLY CA C 44.570 0.400 1 382 33 33 GLY N N 110.753 0.400 1 383 34 34 SER H H 8.186 0.020 1 384 34 34 SER HA H 4.311 0.020 1 385 34 34 SER HB2 H 4.173 0.020 2 386 34 34 SER HB3 H 3.556 0.020 2 387 34 34 SER C C 173.935 0.400 1 388 34 34 SER CA C 57.721 0.400 1 389 34 34 SER CB C 63.842 0.400 1 390 34 34 SER N N 117.718 0.400 1 391 35 35 ASP H H 8.935 0.020 1 392 35 35 ASP HA H 4.324 0.020 1 393 35 35 ASP HB2 H 2.623 0.020 2 394 35 35 ASP HB3 H 2.623 0.020 2 395 35 35 ASP C C 178.944 0.400 1 396 35 35 ASP CA C 58.329 0.400 1 397 35 35 ASP CB C 39.877 0.400 1 398 35 35 ASP N N 122.247 0.400 1 399 36 36 SER H H 8.493 0.020 1 400 36 36 SER HA H 4.110 0.020 1 401 36 36 SER HB2 H 3.833 0.020 2 402 36 36 SER HB3 H 3.745 0.020 2 403 36 36 SER C C 176.732 0.400 1 404 36 36 SER CA C 60.897 0.400 1 405 36 36 SER CB C 61.437 0.400 1 406 36 36 SER N N 114.709 0.400 1 407 37 37 PHE H H 7.771 0.020 1 408 37 37 PHE HA H 3.945 0.020 1 409 37 37 PHE HB2 H 3.412 0.020 2 410 37 37 PHE HB3 H 2.898 0.020 2 411 37 37 PHE HD1 H 6.918 0.020 1 412 37 37 PHE HD2 H 6.918 0.020 1 413 37 37 PHE HE1 H 6.902 0.020 1 414 37 37 PHE HE2 H 6.902 0.020 1 415 37 37 PHE C C 177.592 0.400 1 416 37 37 PHE CA C 62.100 0.400 1 417 37 37 PHE CB C 39.259 0.400 1 418 37 37 PHE N N 127.003 0.400 1 419 38 38 LEU H H 8.743 0.020 1 420 38 38 LEU HA H 3.662 0.020 1 421 38 38 LEU HB2 H 1.983 0.020 2 422 38 38 LEU HB3 H 0.997 0.020 2 423 38 38 LEU HG H 1.990 0.020 1 424 38 38 LEU HD1 H 0.985 0.020 2 425 38 38 LEU HD2 H 0.837 0.020 2 426 38 38 LEU C C 179.714 0.400 1 427 38 38 LEU CA C 57.760 0.400 1 428 38 38 LEU CB C 41.782 0.400 1 429 38 38 LEU CG C 27.285 0.400 1 430 38 38 LEU CD1 C 27.082 0.400 1 431 38 38 LEU CD2 C 22.250 0.400 1 432 38 38 LEU N N 120.673 0.400 1 433 39 39 ALA H H 8.459 0.020 1 434 39 39 ALA HA H 3.977 0.020 1 435 39 39 ALA HB H 1.433 0.020 1 436 39 39 ALA C C 181.865 0.400 1 437 39 39 ALA CA C 55.152 0.400 1 438 39 39 ALA CB C 18.058 0.400 1 439 39 39 ALA N N 122.302 0.400 1 440 40 40 GLU H H 7.938 0.020 1 441 40 40 GLU HA H 3.764 0.020 1 442 40 40 GLU HB2 H 1.978 0.020 2 443 40 40 GLU HB3 H 1.724 0.020 2 444 40 40 GLU HG2 H 2.179 0.020 2 445 40 40 GLU HG3 H 1.736 0.020 2 446 40 40 GLU C C 177.649 0.400 1 447 40 40 GLU CA C 58.948 0.400 1 448 40 40 GLU CB C 29.518 0.400 1 449 40 40 GLU CG C 35.941 0.400 1 450 40 40 GLU N N 120.081 0.400 1 451 41 41 HIS H H 7.006 0.020 1 452 41 41 HIS HA H 4.331 0.020 1 453 41 41 HIS HB2 H 3.084 0.020 2 454 41 41 HIS HB3 H 2.112 0.020 2 455 41 41 HIS HD2 H 6.177 0.020 1 456 41 41 HIS HE1 H 7.269 0.020 1 457 41 41 HIS C C 172.767 0.400 1 458 41 41 HIS CA C 57.133 0.400 1 459 41 41 HIS CB C 30.154 0.400 1 460 41 41 HIS CD2 C 122.581 0.400 1 461 41 41 HIS N N 113.592 0.400 1 462 42 42 LYS H H 7.724 0.020 1 463 42 42 LYS HA H 3.957 0.020 1 464 42 42 LYS HB2 H 1.983 0.020 2 465 42 42 LYS HB3 H 1.812 0.020 2 466 42 42 LYS HG2 H 1.235 0.020 2 467 42 42 LYS HG3 H 1.235 0.020 2 468 42 42 LYS HD2 H 1.587 0.020 2 469 42 42 LYS HD3 H 1.587 0.020 2 470 42 42 LYS HE2 H 2.862 0.020 2 471 42 42 LYS HE3 H 2.862 0.020 2 472 42 42 LYS C C 176.733 0.400 1 473 42 42 LYS CA C 57.434 0.400 1 474 42 42 LYS CB C 28.329 0.400 1 475 42 42 LYS CG C 24.930 0.400 1 476 42 42 LYS CE C 41.727 0.400 1 477 42 42 LYS N N 117.046 0.400 1 478 43 43 LEU H H 8.247 0.020 1 479 43 43 LEU HA H 4.497 0.020 1 480 43 43 LEU HB2 H 1.717 0.020 2 481 43 43 LEU HB3 H 1.433 0.020 2 482 43 43 LEU HG H 1.619 0.020 1 483 43 43 LEU HD1 H 0.691 0.020 2 484 43 43 LEU HD2 H 0.646 0.020 2 485 43 43 LEU C C 175.173 0.400 1 486 43 43 LEU CA C 53.294 0.400 1 487 43 43 LEU CB C 43.989 0.400 1 488 43 43 LEU CG C 25.746 0.400 1 489 43 43 LEU CD1 C 28.244 0.400 1 490 43 43 LEU CD2 C 23.417 0.400 1 491 43 43 LEU N N 115.869 0.400 1 492 44 44 LEU H H 7.313 0.020 1 493 44 44 LEU HA H 4.264 0.020 1 494 44 44 LEU HB2 H 1.523 0.020 2 495 44 44 LEU HB3 H 1.362 0.020 2 496 44 44 LEU HG H 1.255 0.020 1 497 44 44 LEU HD1 H 0.827 0.020 2 498 44 44 LEU HD2 H 0.814 0.020 2 499 44 44 LEU C C 176.717 0.400 1 500 44 44 LEU CA C 54.474 0.400 1 501 44 44 LEU CB C 42.814 0.400 1 502 44 44 LEU CG C 26.744 0.400 1 503 44 44 LEU CD1 C 25.063 0.400 1 504 44 44 LEU CD2 C 24.400 0.400 1 505 44 44 LEU N N 118.806 0.400 1 506 45 45 GLY H H 8.252 0.020 1 507 45 45 GLY HA2 H 4.174 0.020 2 508 45 45 GLY HA3 H 3.581 0.020 2 509 45 45 GLY C C 172.764 0.400 1 510 45 45 GLY CA C 43.369 0.400 1 511 45 45 GLY N N 109.773 0.400 1 512 46 46 ASN H H 8.417 0.020 1 513 46 46 ASN HA H 4.482 0.020 1 514 46 46 ASN HB2 H 2.816 0.020 2 515 46 46 ASN HB3 H 2.684 0.020 2 516 46 46 ASN HD21 H 7.701 0.020 2 517 46 46 ASN HD22 H 6.939 0.020 2 518 46 46 ASN C C 177.491 0.400 1 519 46 46 ASN CA C 53.873 0.400 1 520 46 46 ASN CB C 39.078 0.400 1 521 46 46 ASN N N 118.257 0.400 1 522 46 46 ASN ND2 N 113.657 0.400 1 523 47 47 ILE H H 8.850 0.020 1 524 47 47 ILE HA H 3.507 0.020 1 525 47 47 ILE HB H 1.821 0.020 1 526 47 47 ILE HG12 H 1.627 0.020 2 527 47 47 ILE HG13 H 0.996 0.020 2 528 47 47 ILE HG2 H 0.888 0.020 1 529 47 47 ILE HD1 H 0.897 0.020 1 530 47 47 ILE C C 176.177 0.400 1 531 47 47 ILE CA C 66.026 0.400 1 532 47 47 ILE CB C 37.828 0.400 1 533 47 47 ILE CG1 C 29.455 0.400 1 534 47 47 ILE CG2 C 17.163 0.400 1 535 47 47 ILE CD1 C 13.956 0.400 1 536 47 47 ILE N N 127.075 0.400 1 537 48 48 LYS H H 8.112 0.020 1 538 48 48 LYS HA H 3.895 0.020 1 539 48 48 LYS HB2 H 1.756 0.020 2 540 48 48 LYS HB3 H 1.683 0.020 2 541 48 48 LYS HG2 H 1.432 0.020 2 542 48 48 LYS HG3 H 1.277 0.020 2 543 48 48 LYS HD2 H 1.638 0.020 2 544 48 48 LYS HD3 H 1.638 0.020 2 545 48 48 LYS HE2 H 2.873 0.020 2 546 48 48 LYS HE3 H 2.873 0.020 2 547 48 48 LYS C C 178.735 0.400 1 548 48 48 LYS CA C 59.432 0.400 1 549 48 48 LYS CB C 32.022 0.400 1 550 48 48 LYS CG C 25.291 0.400 1 551 48 48 LYS CD C 29.319 0.400 1 552 48 48 LYS N N 119.114 0.400 1 553 49 49 ASN H H 7.554 0.020 1 554 49 49 ASN HA H 4.485 0.020 1 555 49 49 ASN HB2 H 2.815 0.020 2 556 49 49 ASN HB3 H 2.815 0.020 2 557 49 49 ASN HD21 H 7.734 0.020 2 558 49 49 ASN HD22 H 6.965 0.020 2 559 49 49 ASN C C 178.004 0.400 1 560 49 49 ASN CA C 55.523 0.400 1 561 49 49 ASN CB C 38.132 0.400 1 562 49 49 ASN N N 117.195 0.400 1 563 49 49 ASN ND2 N 112.558 0.400 1 564 50 50 VAL H H 8.253 0.020 1 565 50 50 VAL HA H 3.637 0.020 1 566 50 50 VAL HB H 1.813 0.020 1 567 50 50 VAL HG1 H 0.854 0.020 2 568 50 50 VAL HG2 H 0.614 0.020 2 569 50 50 VAL C C 177.977 0.400 1 570 50 50 VAL CA C 65.423 0.400 1 571 50 50 VAL CB C 31.941 0.400 1 572 50 50 VAL CG1 C 22.554 0.400 1 573 50 50 VAL CG2 C 22.005 0.400 1 574 50 50 VAL N N 121.561 0.400 1 575 51 51 ALA H H 8.387 0.020 1 576 51 51 ALA HA H 3.743 0.020 1 577 51 51 ALA HB H 1.301 0.020 1 578 51 51 ALA C C 177.765 0.400 1 579 51 51 ALA CA C 54.842 0.400 1 580 51 51 ALA CB C 18.098 0.400 1 581 51 51 ALA N N 119.313 0.400 1 582 52 52 LYS H H 7.128 0.020 1 583 52 52 LYS HA H 4.092 0.020 1 584 52 52 LYS HB2 H 1.918 0.020 2 585 52 52 LYS HB3 H 1.918 0.020 2 586 52 52 LYS HG2 H 1.610 0.020 2 587 52 52 LYS HG3 H 1.420 0.020 2 588 52 52 LYS HD2 H 1.657 0.020 2 589 52 52 LYS HD3 H 1.657 0.020 2 590 52 52 LYS HE2 H 2.913 0.020 2 591 52 52 LYS HE3 H 2.859 0.020 2 592 52 52 LYS C C 178.329 0.400 1 593 52 52 LYS CA C 58.358 0.400 1 594 52 52 LYS CB C 32.974 0.400 1 595 52 52 LYS CG C 24.998 0.400 1 596 52 52 LYS CD C 29.215 0.400 1 597 52 52 LYS N N 114.083 0.400 1 598 53 53 THR H H 7.329 0.020 1 599 53 53 THR HA H 4.263 0.020 1 600 53 53 THR HB H 4.282 0.020 1 601 53 53 THR HG2 H 1.101 0.020 1 602 53 53 THR C C 174.231 0.400 1 603 53 53 THR CA C 61.939 0.400 1 604 53 53 THR CB C 69.406 0.400 1 605 53 53 THR CG2 C 21.626 0.400 1 606 53 53 THR N N 107.138 0.400 1 607 54 54 ALA H H 7.751 0.020 1 608 54 54 ALA HA H 4.601 0.020 1 609 54 54 ALA HB H 1.231 0.020 1 610 54 54 ALA C C 175.817 0.400 1 611 54 54 ALA CA C 51.423 0.400 1 612 54 54 ALA CB C 19.660 0.400 1 613 54 54 ALA N N 125.819 0.400 1 614 55 55 ASN H H 8.463 0.020 1 615 55 55 ASN HA H 4.748 0.020 1 616 55 55 ASN HB2 H 3.043 0.020 2 617 55 55 ASN HB3 H 2.780 0.020 2 618 55 55 ASN HD21 H 7.554 0.020 2 619 55 55 ASN HD22 H 6.827 0.020 2 620 55 55 ASN C C 175.834 0.400 1 621 55 55 ASN CA C 51.230 0.400 1 622 55 55 ASN CB C 39.554 0.400 1 623 55 55 ASN N N 119.668 0.400 1 624 55 55 ASN ND2 N 112.811 0.400 1 625 56 56 LYS HA H 3.784 0.020 1 626 56 56 LYS HB2 H 1.926 0.020 2 627 56 56 LYS HB3 H 1.610 0.020 2 628 56 56 LYS HG2 H 1.499 0.020 2 629 56 56 LYS HG3 H 1.319 0.020 2 630 56 56 LYS HD2 H 1.642 0.020 2 631 56 56 LYS HD3 H 1.487 0.020 2 632 56 56 LYS HE2 H 2.800 0.020 2 633 56 56 LYS HE3 H 2.645 0.020 2 634 56 56 LYS C C 177.810 0.400 1 635 56 56 LYS CA C 59.923 0.400 1 636 56 56 LYS CB C 32.079 0.400 1 637 56 56 LYS CG C 25.556 0.400 1 638 56 56 LYS CD C 28.392 0.400 1 639 56 56 LYS CE C 41.649 0.400 1 640 57 57 ASP H H 8.270 0.020 1 641 57 57 ASP HA H 4.235 0.020 1 642 57 57 ASP HB2 H 2.587 0.020 2 643 57 57 ASP HB3 H 2.587 0.020 2 644 57 57 ASP C C 178.823 0.400 1 645 57 57 ASP CA C 58.102 0.400 1 646 57 57 ASP CB C 39.981 0.400 1 647 57 57 ASP N N 118.498 0.400 1 648 58 58 HIS H H 7.949 0.020 1 649 58 58 HIS HA H 4.376 0.020 1 650 58 58 HIS HB2 H 3.270 0.020 2 651 58 58 HIS HB3 H 3.243 0.020 2 652 58 58 HIS HD2 H 6.779 0.020 1 653 58 58 HIS HE1 H 6.947 0.020 1 654 58 58 HIS C C 178.421 0.400 1 655 58 58 HIS CA C 59.057 0.400 1 656 58 58 HIS CB C 31.618 0.400 1 657 58 58 HIS CD2 C 116.451 0.400 1 658 58 58 HIS N N 120.000 0.400 1 659 59 59 LEU H H 7.807 0.020 1 660 59 59 LEU HA H 3.922 0.020 1 661 59 59 LEU HB2 H 1.975 0.020 2 662 59 59 LEU HB3 H 1.288 0.020 2 663 59 59 LEU HG H 1.919 0.020 1 664 59 59 LEU HD1 H 0.743 0.020 2 665 59 59 LEU HD2 H 0.650 0.020 2 666 59 59 LEU C C 178.143 0.400 1 667 59 59 LEU CA C 57.403 0.400 1 668 59 59 LEU CB C 41.240 0.400 1 669 59 59 LEU CG C 26.009 0.400 1 670 59 59 LEU CD1 C 26.478 0.400 1 671 59 59 LEU CD2 C 23.308 0.400 1 672 59 59 LEU N N 118.444 0.400 1 673 60 60 VAL H H 8.616 0.020 1 674 60 60 VAL HA H 3.465 0.020 1 675 60 60 VAL HB H 2.207 0.020 1 676 60 60 VAL HG1 H 0.894 0.020 2 677 60 60 VAL HG2 H 0.879 0.020 2 678 60 60 VAL C C 177.579 0.400 1 679 60 60 VAL CA C 67.116 0.400 1 680 60 60 VAL CB C 31.693 0.400 1 681 60 60 VAL CG1 C 23.354 0.400 1 682 60 60 VAL CG2 C 21.919 0.400 1 683 60 60 VAL N N 121.000 0.400 1 684 61 61 THR H H 7.776 0.020 1 685 61 61 THR HA H 3.855 0.020 1 686 61 61 THR HB H 4.200 0.020 1 687 61 61 THR HG2 H 1.068 0.020 1 688 61 61 THR C C 176.505 0.400 1 689 61 61 THR CA C 66.614 0.400 1 690 61 61 THR CB C 68.295 0.400 1 691 61 61 THR CG2 C 21.959 0.400 1 692 61 61 THR N N 115.684 0.400 1 693 62 62 ALA H H 8.151 0.020 1 694 62 62 ALA HA H 3.452 0.020 1 695 62 62 ALA HB H 1.066 0.020 1 696 62 62 ALA C C 178.049 0.400 1 697 62 62 ALA CA C 55.527 0.400 1 698 62 62 ALA CB C 18.407 0.400 1 699 62 62 ALA N N 123.119 0.400 1 700 63 63 TYR H H 8.723 0.020 1 701 63 63 TYR HA H 4.115 0.020 1 702 63 63 TYR HB2 H 3.279 0.020 2 703 63 63 TYR HB3 H 2.982 0.020 2 704 63 63 TYR HD1 H 7.058 0.020 1 705 63 63 TYR HD2 H 7.058 0.020 1 706 63 63 TYR HE1 H 6.564 0.020 1 707 63 63 TYR HE2 H 6.564 0.020 1 708 63 63 TYR C C 176.721 0.400 1 709 63 63 TYR CA C 62.669 0.400 1 710 63 63 TYR CB C 39.299 0.400 1 711 63 63 TYR CD1 C 131.932 0.400 1 712 63 63 TYR N N 119.975 0.400 1 713 64 64 ASN H H 8.530 0.020 1 714 64 64 ASN HA H 4.544 0.020 1 715 64 64 ASN HB2 H 2.994 0.020 2 716 64 64 ASN HB3 H 2.916 0.020 2 717 64 64 ASN HD21 H 7.713 0.020 2 718 64 64 ASN HD22 H 5.877 0.020 2 719 64 64 ASN C C 178.773 0.400 1 720 64 64 ASN CA C 56.146 0.400 1 721 64 64 ASN CB C 37.299 0.400 1 722 64 64 ASN N N 116.077 0.400 1 723 64 64 ASN ND2 N 110.023 0.400 1 724 65 65 HIS H H 8.829 0.020 1 725 65 65 HIS HA H 4.533 0.020 1 726 65 65 HIS HB2 H 3.476 0.020 2 727 65 65 HIS HB3 H 3.360 0.020 2 728 65 65 HIS HD2 H 7.130 0.020 1 729 65 65 HIS HE1 H 7.266 0.020 1 730 65 65 HIS C C 178.546 0.400 1 731 65 65 HIS CA C 58.684 0.400 1 732 65 65 HIS CB C 30.768 0.400 1 733 65 65 HIS CD2 C 119.233 0.400 1 734 65 65 HIS CE1 C 137.937 0.400 1 735 65 65 HIS N N 120.047 0.400 1 736 66 66 LEU H H 8.515 0.020 1 737 66 66 LEU HA H 2.870 0.020 1 738 66 66 LEU HB2 H 1.569 0.020 2 739 66 66 LEU HB3 H 0.839 0.020 2 740 66 66 LEU HG H 0.181 0.020 1 741 66 66 LEU HD1 H 0.232 0.020 2 742 66 66 LEU HD2 H -0.660 0.020 2 743 66 66 LEU C C 177.050 0.400 1 744 66 66 LEU CA C 58.429 0.400 1 745 66 66 LEU CB C 39.341 0.400 1 746 66 66 LEU CD1 C 25.712 0.400 1 747 66 66 LEU CD2 C 22.415 0.400 1 748 66 66 LEU N N 123.934 0.400 1 749 67 67 PHE H H 6.855 0.020 1 750 67 67 PHE HA H 3.847 0.020 1 751 67 67 PHE HB2 H 3.167 0.020 2 752 67 67 PHE HB3 H 2.656 0.020 2 753 67 67 PHE HD1 H 7.221 0.020 1 754 67 67 PHE HD2 H 7.221 0.020 1 755 67 67 PHE HE1 H 6.656 0.020 1 756 67 67 PHE HE2 H 6.656 0.020 1 757 67 67 PHE HZ H 6.849 0.020 1 758 67 67 PHE C C 177.823 0.400 1 759 67 67 PHE CA C 62.486 0.400 1 760 67 67 PHE CB C 39.412 0.400 1 761 67 67 PHE CD1 C 132.328 0.400 1 762 67 67 PHE CD2 C 132.773 0.400 1 763 67 67 PHE CE1 C 131.619 0.400 1 764 67 67 PHE CE2 C 132.944 0.400 1 765 67 67 PHE N N 113.040 0.400 1 766 68 68 GLU H H 8.307 0.020 1 767 68 68 GLU HA H 4.083 0.020 1 768 68 68 GLU HB2 H 2.146 0.020 2 769 68 68 GLU HB3 H 2.043 0.020 2 770 68 68 GLU HG2 H 2.343 0.020 2 771 68 68 GLU HG3 H 2.187 0.020 2 772 68 68 GLU C C 178.480 0.400 1 773 68 68 GLU CA C 59.052 0.400 1 774 68 68 GLU CB C 30.425 0.400 1 775 68 68 GLU CG C 36.021 0.400 1 776 68 68 GLU N N 119.750 0.400 1 777 69 69 THR H H 7.805 0.020 1 778 69 69 THR HA H 4.069 0.020 1 779 69 69 THR HB H 3.912 0.020 1 780 69 69 THR HG2 H 1.016 0.020 1 781 69 69 THR C C 174.995 0.400 1 782 69 69 THR CA C 62.422 0.400 1 783 69 69 THR CB C 70.730 0.400 1 784 69 69 THR CG2 C 21.329 0.400 1 785 69 69 THR N N 105.994 0.400 1 786 70 70 LYS H H 7.588 0.020 1 787 70 70 LYS HA H 2.794 0.020 1 788 70 70 LYS HB2 H 1.893 0.020 2 789 70 70 LYS HB3 H 1.839 0.020 2 790 70 70 LYS HG2 H 1.271 0.020 2 791 70 70 LYS HG3 H 1.209 0.020 2 792 70 70 LYS HD2 H 1.726 0.020 2 793 70 70 LYS HD3 H 1.601 0.020 2 794 70 70 LYS HE2 H 3.002 0.020 2 795 70 70 LYS HE3 H 3.002 0.020 2 796 70 70 LYS C C 176.898 0.400 1 797 70 70 LYS CA C 56.738 0.400 1 798 70 70 LYS CB C 28.444 0.400 1 799 70 70 LYS CG C 24.930 0.400 1 800 70 70 LYS CD C 29.507 0.400 1 801 70 70 LYS CE C 42.012 0.400 1 802 70 70 LYS N N 117.530 0.400 1 803 71 71 ARG H H 6.187 0.020 1 804 71 71 ARG HA H 4.163 0.020 1 805 71 71 ARG HB2 H 2.013 0.020 2 806 71 71 ARG HB3 H 0.789 0.020 2 807 71 71 ARG HG2 H 1.424 0.020 2 808 71 71 ARG HG3 H 1.386 0.020 2 809 71 71 ARG HD2 H 3.221 0.020 2 810 71 71 ARG HD3 H 2.999 0.020 2 811 71 71 ARG C C 174.512 0.400 1 812 71 71 ARG CA C 55.253 0.400 1 813 71 71 ARG CB C 28.354 0.400 1 814 71 71 ARG CG C 26.229 0.400 1 815 71 71 ARG CD C 44.183 0.400 1 816 71 71 ARG N N 121.767 0.400 1 817 72 72 PHE H H 7.047 0.020 1 818 72 72 PHE HA H 4.890 0.020 1 819 72 72 PHE HB2 H 3.426 0.020 2 820 72 72 PHE HB3 H 2.519 0.020 2 821 72 72 PHE HD1 H 6.928 0.020 1 822 72 72 PHE HD2 H 6.928 0.020 1 823 72 72 PHE HE1 H 6.559 0.020 1 824 72 72 PHE HE2 H 6.559 0.020 1 825 72 72 PHE HZ H 6.727 0.020 1 826 72 72 PHE C C 177.451 0.400 1 827 72 72 PHE CA C 56.066 0.400 1 828 72 72 PHE CB C 40.410 0.400 1 829 72 72 PHE CD1 C 130.918 0.400 1 830 72 72 PHE CE1 C 130.923 0.400 1 831 72 72 PHE N N 117.559 0.400 1 832 73 73 LYS H H 8.068 0.020 1 833 73 73 LYS HA H 3.751 0.020 1 834 73 73 LYS HB2 H 1.557 0.020 2 835 73 73 LYS HB3 H 1.411 0.020 2 836 73 73 LYS HG2 H 1.230 0.020 2 837 73 73 LYS HG3 H 1.230 0.020 2 838 73 73 LYS HD2 H 1.566 0.020 2 839 73 73 LYS HD3 H 1.566 0.020 2 840 73 73 LYS HE2 H 2.844 0.020 2 841 73 73 LYS HE3 H 2.844 0.020 2 842 73 73 LYS C C 177.088 0.400 1 843 73 73 LYS CA C 58.198 0.400 1 844 73 73 LYS CB C 32.295 0.400 1 845 73 73 LYS CG C 24.629 0.400 1 846 73 73 LYS CD C 28.787 0.400 1 847 73 73 LYS N N 123.121 0.400 1 848 74 74 GLY H H 8.886 0.020 1 849 74 74 GLY HA2 H 4.108 0.020 2 850 74 74 GLY HA3 H 3.862 0.020 2 851 74 74 GLY C C 175.079 0.400 1 852 74 74 GLY CA C 45.367 0.400 1 853 74 74 GLY N N 112.017 0.400 1 854 75 75 THR H H 7.787 0.020 1 855 75 75 THR HA H 4.362 0.020 1 856 75 75 THR HB H 4.345 0.020 1 857 75 75 THR HG2 H 1.214 0.020 1 858 75 75 THR C C 174.849 0.400 1 859 75 75 THR CA C 62.161 0.400 1 860 75 75 THR CB C 69.990 0.400 1 861 75 75 THR CG2 C 21.766 0.400 1 862 75 75 THR N N 110.749 0.400 1 863 76 76 GLU H H 8.413 0.020 1 864 76 76 GLU HA H 4.324 0.020 1 865 76 76 GLU HB2 H 2.025 0.020 2 866 76 76 GLU HB3 H 1.934 0.020 2 867 76 76 GLU HG2 H 2.241 0.020 2 868 76 76 GLU HG3 H 2.241 0.020 2 869 76 76 GLU C C 176.424 0.400 1 870 76 76 GLU CA C 56.833 0.400 1 871 76 76 GLU CB C 30.299 0.400 1 872 76 76 GLU CG C 36.338 0.400 1 873 76 76 GLU N N 122.404 0.400 1 874 77 77 SER H H 8.357 0.020 1 875 77 77 SER HA H 4.421 0.020 1 876 77 77 SER HB2 H 3.782 0.020 2 877 77 77 SER HB3 H 3.782 0.020 2 878 77 77 SER C C 174.395 0.400 1 879 77 77 SER CA C 58.188 0.400 1 880 77 77 SER CB C 63.639 0.400 1 881 77 77 SER N N 117.096 0.400 1 882 78 78 ILE H H 8.107 0.020 1 883 78 78 ILE HA H 4.144 0.020 1 884 78 78 ILE HB H 1.813 0.020 1 885 78 78 ILE HG12 H 1.382 0.020 2 886 78 78 ILE HG13 H 1.108 0.020 2 887 78 78 ILE HG2 H 0.831 0.020 1 888 78 78 ILE HD1 H 0.783 0.020 1 889 78 78 ILE C C 176.233 0.400 1 890 78 78 ILE CA C 61.238 0.400 1 891 78 78 ILE CB C 38.821 0.400 1 892 78 78 ILE CG1 C 27.238 0.400 1 893 78 78 ILE CG2 C 17.579 0.400 1 894 78 78 ILE CD1 C 13.080 0.400 1 895 78 78 ILE N N 122.545 0.400 1 896 79 79 SER H H 8.305 0.020 1 897 79 79 SER HA H 4.330 0.020 1 898 79 79 SER HB2 H 3.899 0.020 2 899 79 79 SER HB3 H 3.750 0.020 2 900 79 79 SER C C 174.395 0.400 1 901 79 79 SER CA C 58.262 0.400 1 902 79 79 SER CB C 63.591 0.400 1 903 79 79 SER N N 119.892 0.400 1 904 80 80 LYS H H 8.301 0.020 1 905 80 80 LYS HA H 4.282 0.020 1 906 80 80 LYS HB2 H 1.757 0.020 2 907 80 80 LYS HB3 H 1.661 0.020 2 908 80 80 LYS HG2 H 1.312 0.020 2 909 80 80 LYS HG3 H 1.312 0.020 2 910 80 80 LYS HD2 H 1.584 0.020 2 911 80 80 LYS HD3 H 1.584 0.020 2 912 80 80 LYS HE2 H 2.892 0.020 2 913 80 80 LYS HE3 H 2.892 0.020 2 914 80 80 LYS C C 176.613 0.400 1 915 80 80 LYS CA C 56.241 0.400 1 916 80 80 LYS CB C 32.924 0.400 1 917 80 80 LYS CG C 24.514 0.400 1 918 80 80 LYS CD C 29.087 0.400 1 919 80 80 LYS CE C 41.972 0.400 1 920 80 80 LYS N N 124.100 0.400 1 921 81 81 VAL H H 8.088 0.020 1 922 81 81 VAL HA H 4.005 0.020 1 923 81 81 VAL HB H 1.974 0.020 1 924 81 81 VAL HG1 H 0.815 0.020 2 925 81 81 VAL HG2 H 0.855 0.020 2 926 81 81 VAL C C 176.319 0.400 1 927 81 81 VAL CA C 62.509 0.400 1 928 81 81 VAL CB C 32.660 0.400 1 929 81 81 VAL CG1 C 21.049 0.400 1 930 81 81 VAL CG2 C 20.817 0.400 1 931 81 81 VAL N N 121.377 0.400 1 932 82 82 SER H H 8.277 0.020 1 933 82 82 SER HA H 4.353 0.020 1 934 82 82 SER HB2 H 3.772 0.020 2 935 82 82 SER HB3 H 3.772 0.020 2 936 82 82 SER C C 174.513 0.400 1 937 82 82 SER CA C 58.371 0.400 1 938 82 82 SER CB C 63.602 0.400 1 939 82 82 SER N N 119.150 0.400 1 940 83 83 GLU H H 8.322 0.020 1 941 83 83 GLU HA H 4.183 0.020 1 942 83 83 GLU HB2 H 1.966 0.020 2 943 83 83 GLU HB3 H 1.815 0.020 2 944 83 83 GLU HG2 H 2.179 0.020 2 945 83 83 GLU HG3 H 2.138 0.020 2 946 83 83 GLU C C 176.305 0.400 1 947 83 83 GLU CA C 56.547 0.400 1 948 83 83 GLU CB C 30.210 0.400 1 949 83 83 GLU CG C 36.561 0.400 1 950 83 83 GLU N N 122.959 0.400 1 951 84 84 GLN H H 8.261 0.020 1 952 84 84 GLN HA H 4.208 0.020 1 953 84 84 GLN HB2 H 1.986 0.020 2 954 84 84 GLN HB3 H 1.887 0.020 2 955 84 84 GLN HG2 H 2.272 0.020 2 956 84 84 GLN HG3 H 2.272 0.020 2 957 84 84 GLN C C 176.097 0.400 1 958 84 84 GLN CA C 56.036 0.400 1 959 84 84 GLN CB C 29.392 0.400 1 960 84 84 GLN CG C 33.697 0.400 1 961 84 84 GLN N N 121.219 0.400 1 962 85 85 VAL H H 8.043 0.020 1 963 85 85 VAL HA H 3.950 0.020 1 964 85 85 VAL HB H 1.973 0.020 1 965 85 85 VAL HG1 H 0.825 0.020 2 966 85 85 VAL HG2 H 0.843 0.020 2 967 85 85 VAL C C 176.069 0.400 1 968 85 85 VAL CA C 62.532 0.400 1 969 85 85 VAL CB C 32.505 0.400 1 970 85 85 VAL CG1 C 20.922 0.400 1 971 85 85 VAL CG2 C 21.106 0.400 1 972 85 85 VAL N N 121.594 0.400 1 973 86 86 LYS H H 8.255 0.020 1 974 86 86 LYS HA H 4.212 0.020 1 975 86 86 LYS HB2 H 1.716 0.020 2 976 86 86 LYS HB3 H 1.647 0.020 2 977 86 86 LYS HG2 H 1.352 0.020 2 978 86 86 LYS HG3 H 1.315 0.020 2 979 86 86 LYS HD2 H 1.579 0.020 2 980 86 86 LYS HD3 H 1.579 0.020 2 981 86 86 LYS CA C 56.249 0.400 1 982 86 86 LYS CB C 33.076 0.400 1 983 86 86 LYS CG C 24.719 0.400 1 984 86 86 LYS CD C 29.273 0.400 1 985 86 86 LYS N N 124.764 0.400 1 986 87 87 ASN H H 8.349 0.020 1 987 87 87 ASN HA H 4.598 0.020 1 988 87 87 ASN HB2 H 2.725 0.020 2 989 87 87 ASN HB3 H 2.647 0.020 2 990 87 87 ASN HD21 H 7.544 0.020 2 991 87 87 ASN HD22 H 6.840 0.020 2 992 87 87 ASN CA C 53.171 0.400 1 993 87 87 ASN CB C 38.600 0.400 1 994 87 87 ASN N N 120.324 0.400 1 995 87 87 ASN ND2 N 113.071 0.400 1 996 88 88 VAL H H 7.983 0.020 1 997 88 88 VAL HA H 3.991 0.020 1 998 88 88 VAL HB H 1.982 0.020 1 999 88 88 VAL HG1 H 0.855 0.020 2 1000 88 88 VAL HG2 H 0.823 0.020 2 1001 88 88 VAL C C 175.835 0.400 1 1002 88 88 VAL CA C 62.328 0.400 1 1003 88 88 VAL CB C 32.739 0.400 1 1004 88 88 VAL CG1 C 20.597 0.400 1 1005 88 88 VAL CG2 C 20.500 0.400 1 1006 88 88 VAL N N 120.681 0.400 1 1007 89 89 LYS H H 8.285 0.020 1 1008 89 89 LYS HA H 4.208 0.020 1 1009 89 89 LYS HB2 H 1.717 0.020 2 1010 89 89 LYS HB3 H 1.650 0.020 2 1011 89 89 LYS HG2 H 1.331 0.020 2 1012 89 89 LYS HG3 H 1.284 0.020 2 1013 89 89 LYS HD2 H 1.524 0.020 2 1014 89 89 LYS HD3 H 1.524 0.020 2 1015 89 89 LYS HE2 H 2.857 0.020 2 1016 89 89 LYS HE3 H 2.857 0.020 2 1017 89 89 LYS C C 176.156 0.400 1 1018 89 89 LYS CA C 56.019 0.400 1 1019 89 89 LYS CB C 32.722 0.400 1 1020 89 89 LYS CG C 24.605 0.400 1 1021 89 89 LYS CD C 28.902 0.400 1 1022 89 89 LYS CE C 41.859 0.400 1 1023 89 89 LYS N N 125.119 0.400 1 1024 90 90 LEU H H 8.211 0.020 1 1025 90 90 LEU HA H 4.222 0.020 1 1026 90 90 LEU HB2 H 1.531 0.020 2 1027 90 90 LEU HB3 H 1.465 0.020 2 1028 90 90 LEU HG H 1.506 0.020 1 1029 90 90 LEU HD1 H 0.827 0.020 2 1030 90 90 LEU HD2 H 0.763 0.020 2 1031 90 90 LEU C C 177.020 0.400 1 1032 90 90 LEU CA C 55.141 0.400 1 1033 90 90 LEU CB C 42.344 0.400 1 1034 90 90 LEU CG C 27.067 0.400 1 1035 90 90 LEU CD1 C 24.902 0.400 1 1036 90 90 LEU CD2 C 23.491 0.400 1 1037 90 90 LEU N N 123.947 0.400 1 1038 91 91 ASN H H 8.363 0.020 1 1039 91 91 ASN HA H 4.569 0.020 1 1040 91 91 ASN HB2 H 2.717 0.020 2 1041 91 91 ASN HB3 H 2.648 0.020 2 1042 91 91 ASN HD21 H 7.537 0.020 2 1043 91 91 ASN HD22 H 6.833 0.020 2 1044 91 91 ASN C C 175.009 0.400 1 1045 91 91 ASN CA C 53.242 0.400 1 1046 91 91 ASN CB C 38.719 0.400 1 1047 91 91 ASN N N 119.152 0.400 1 1048 91 91 ASN ND2 N 112.829 0.400 1 1049 92 92 GLU H H 8.279 0.020 1 1050 92 92 GLU HA H 4.483 0.020 1 1051 92 92 GLU HB2 H 1.916 0.020 2 1052 92 92 GLU HB3 H 1.794 0.020 2 1053 92 92 GLU HG2 H 2.136 0.020 2 1054 92 92 GLU HG3 H 2.136 0.020 2 1055 92 92 GLU C C 175.862 0.400 1 1056 92 92 GLU CA C 56.523 0.400 1 1057 92 92 GLU CB C 30.357 0.400 1 1058 92 92 GLU CG C 36.310 0.400 1 1059 92 92 GLU N N 121.293 0.400 1 1060 93 93 ASP H H 8.318 0.020 1 1061 93 93 ASP HA H 4.486 0.020 1 1062 93 93 ASP HB2 H 2.572 0.020 2 1063 93 93 ASP HB3 H 2.485 0.020 2 1064 93 93 ASP C C 175.707 0.400 1 1065 93 93 ASP CA C 54.352 0.400 1 1066 93 93 ASP CB C 40.993 0.400 1 1067 93 93 ASP N N 121.794 0.400 1 1068 94 94 LYS H H 8.045 0.020 1 1069 94 94 LYS HA H 4.499 0.020 1 1070 94 94 LYS HB2 H 1.711 0.020 2 1071 94 94 LYS HB3 H 1.616 0.020 2 1072 94 94 LYS HG2 H 1.371 0.020 2 1073 94 94 LYS HG3 H 1.337 0.020 2 1074 94 94 LYS HD2 H 1.658 0.020 2 1075 94 94 LYS HD3 H 1.591 0.020 2 1076 94 94 LYS HE2 H 2.879 0.020 2 1077 94 94 LYS HE3 H 2.879 0.020 2 1078 94 94 LYS C C 174.244 0.400 1 1079 94 94 LYS CA C 54.140 0.400 1 1080 94 94 LYS CB C 32.449 0.400 1 1081 94 94 LYS CG C 24.341 0.400 1 1082 94 94 LYS CD C 28.820 0.400 1 1083 94 94 LYS N N 122.508 0.400 1 1084 95 95 PRO HA H 4.314 0.020 1 1085 95 95 PRO HB2 H 2.211 0.020 2 1086 95 95 PRO HB3 H 1.777 0.020 2 1087 95 95 PRO HG2 H 1.924 0.020 2 1088 95 95 PRO HG3 H 1.924 0.020 2 1089 95 95 PRO HD2 H 3.715 0.020 2 1090 95 95 PRO HD3 H 3.515 0.020 2 1091 95 95 PRO C C 176.864 0.400 1 1092 95 95 PRO CA C 63.029 0.400 1 1093 95 95 PRO CB C 32.123 0.400 1 1094 95 95 PRO CG C 27.310 0.400 1 1095 95 95 PRO CD C 50.659 0.400 1 1096 96 96 LYS H H 8.399 0.020 1 1097 96 96 LYS HA H 4.176 0.020 1 1098 96 96 LYS HB2 H 1.700 0.020 2 1099 96 96 LYS HB3 H 1.700 0.020 2 1100 96 96 LYS HG2 H 1.395 0.020 2 1101 96 96 LYS HG3 H 1.314 0.020 2 1102 96 96 LYS HD2 H 1.587 0.020 2 1103 96 96 LYS HD3 H 1.587 0.020 2 1104 96 96 LYS HE2 H 2.881 0.020 2 1105 96 96 LYS HE3 H 2.881 0.020 2 1106 96 96 LYS C C 176.683 0.400 1 1107 96 96 LYS CA C 56.389 0.400 1 1108 96 96 LYS CB C 32.944 0.400 1 1109 96 96 LYS CG C 24.602 0.400 1 1110 96 96 LYS CD C 28.835 0.400 1 1111 96 96 LYS CE C 42.003 0.400 1 1112 96 96 LYS N N 122.145 0.400 1 1113 97 97 GLU H H 8.425 0.020 1 1114 97 97 GLU HA H 4.260 0.020 1 1115 97 97 GLU HB2 H 1.942 0.020 2 1116 97 97 GLU HB3 H 1.862 0.020 2 1117 97 97 GLU HG2 H 2.130 0.020 2 1118 97 97 GLU HG3 H 2.074 0.020 2 1119 97 97 GLU C C 176.401 0.400 1 1120 97 97 GLU CA C 56.358 0.400 1 1121 97 97 GLU CB C 30.371 0.400 1 1122 97 97 GLU CG C 35.907 0.400 1 1123 97 97 GLU N N 122.348 0.400 1 1124 98 98 THR H H 8.201 0.020 1 1125 98 98 THR HA H 4.225 0.020 1 1126 98 98 THR HB H 4.056 0.020 1 1127 98 98 THR HG2 H 1.095 0.020 1 1128 98 98 THR C C 174.258 0.400 1 1129 98 98 THR CA C 61.722 0.400 1 1130 98 98 THR CB C 69.738 0.400 1 1131 98 98 THR CG2 C 21.579 0.400 1 1132 98 98 THR N N 116.532 0.400 1 1133 99 99 LYS H H 8.374 0.020 1 1134 99 99 LYS HA H 4.298 0.020 1 1135 99 99 LYS HB2 H 1.749 0.020 2 1136 99 99 LYS HB3 H 1.665 0.020 2 1137 99 99 LYS HG2 H 1.315 0.020 2 1138 99 99 LYS HG3 H 1.315 0.020 2 1139 99 99 LYS HD2 H 1.581 0.020 2 1140 99 99 LYS HD3 H 1.581 0.020 2 1141 99 99 LYS HE2 H 2.932 0.020 2 1142 99 99 LYS HE3 H 2.932 0.020 2 1143 99 99 LYS C C 176.388 0.400 1 1144 99 99 LYS CA C 56.009 0.400 1 1145 99 99 LYS CB C 33.176 0.400 1 1146 99 99 LYS CG C 24.499 0.400 1 1147 99 99 LYS CD C 28.869 0.400 1 1148 99 99 LYS CE C 41.968 0.400 1 1149 99 99 LYS N N 124.585 0.400 1 1150 100 100 SER H H 8.388 0.020 1 1151 100 100 SER HA H 4.337 0.020 1 1152 100 100 SER HB2 H 3.800 0.020 2 1153 100 100 SER HB3 H 3.731 0.020 2 1154 100 100 SER C C 174.572 0.400 1 1155 100 100 SER CA C 58.406 0.400 1 1156 100 100 SER CB C 63.628 0.400 1 1157 100 100 SER N N 118.193 0.400 1 1158 101 101 GLU H H 8.505 0.020 1 1159 101 101 GLU HA H 4.220 0.020 1 1160 101 101 GLU HB2 H 1.982 0.020 2 1161 101 101 GLU HB3 H 1.828 0.020 2 1162 101 101 GLU HG2 H 2.180 0.020 2 1163 101 101 GLU HG3 H 2.180 0.020 2 1164 101 101 GLU C C 176.343 0.400 1 1165 101 101 GLU CA C 56.575 0.400 1 1166 101 101 GLU CB C 30.203 0.400 1 1167 101 101 GLU CG C 36.202 0.400 1 1168 101 101 GLU N N 122.897 0.400 1 1169 102 102 GLU H H 8.333 0.020 1 1170 102 102 GLU HA H 4.225 0.020 1 1171 102 102 GLU HB2 H 1.964 0.020 2 1172 102 102 GLU HB3 H 1.837 0.020 2 1173 102 102 GLU HG2 H 2.162 0.020 2 1174 102 102 GLU HG3 H 2.162 0.020 2 1175 102 102 GLU C C 176.442 0.400 1 1176 102 102 GLU CA C 56.525 0.400 1 1177 102 102 GLU CB C 30.320 0.400 1 1178 102 102 GLU CG C 36.225 0.400 1 1179 102 102 GLU N N 121.754 0.400 1 1180 103 103 THR H H 8.170 0.020 1 1181 103 103 THR HA H 4.237 0.020 1 1182 103 103 THR HB H 4.081 0.020 1 1183 103 103 THR HG2 H 1.099 0.020 1 1184 103 103 THR C C 174.241 0.400 1 1185 103 103 THR CA C 61.767 0.400 1 1186 103 103 THR CB C 69.687 0.400 1 1187 103 103 THR CG2 C 21.418 0.400 1 1188 103 103 THR N N 116.248 0.400 1 1189 104 104 LEU H H 8.278 0.020 1 1190 104 104 LEU HA H 4.277 0.020 1 1191 104 104 LEU HB2 H 1.548 0.020 2 1192 104 104 LEU HB3 H 1.496 0.020 2 1193 104 104 LEU HG H 1.502 0.020 1 1194 104 104 LEU HD1 H 0.819 0.020 2 1195 104 104 LEU HD2 H 0.762 0.020 2 1196 104 104 LEU C C 176.763 0.400 1 1197 104 104 LEU CA C 54.911 0.400 1 1198 104 104 LEU CB C 42.345 0.400 1 1199 104 104 LEU CG C 26.985 0.400 1 1200 104 104 LEU CD1 C 24.967 0.400 1 1201 104 104 LEU CD2 C 23.528 0.400 1 1202 104 104 LEU N N 125.387 0.400 1 1203 105 105 ASP H H 8.307 0.020 1 1204 105 105 ASP HA H 4.532 0.020 1 1205 105 105 ASP HB2 H 2.641 0.020 2 1206 105 105 ASP HB3 H 2.512 0.020 2 1207 105 105 ASP C C 176.162 0.400 1 1208 105 105 ASP CA C 54.213 0.400 1 1209 105 105 ASP CB C 41.252 0.400 1 1210 105 105 ASP N N 122.072 0.400 1 1211 106 106 GLU H H 8.388 0.020 1 1212 106 106 GLU HA H 4.264 0.020 1 1213 106 106 GLU HB2 H 2.065 0.020 2 1214 106 106 GLU HB3 H 1.873 0.020 2 1215 106 106 GLU HG2 H 2.179 0.020 2 1216 106 106 GLU HG3 H 2.147 0.020 2 1217 106 106 GLU CA C 56.423 0.400 1 1218 106 106 GLU CB C 30.525 0.400 1 1219 106 106 GLU CG C 36.549 0.400 1 1220 106 106 GLU N N 122.273 0.400 1 1221 107 107 GLY H H 8.229 0.020 1 1222 107 107 GLY HA2 H 4.048 0.020 2 1223 107 107 GLY HA3 H 3.933 0.020 2 1224 107 107 GLY C C 170.999 0.400 1 1225 107 107 GLY CA C 44.334 0.400 1 1226 107 107 GLY N N 109.903 0.400 1 1227 108 108 PRO HA H 4.552 0.020 1 1228 108 108 PRO HB2 H 2.197 0.020 2 1229 108 108 PRO HB3 H 1.704 0.020 2 1230 108 108 PRO HG2 H 1.890 0.020 2 1231 108 108 PRO HG3 H 1.858 0.020 2 1232 108 108 PRO HD2 H 3.496 0.020 2 1233 108 108 PRO HD3 H 3.461 0.020 2 1234 108 108 PRO CA C 61.281 0.400 1 1235 108 108 PRO CB C 30.610 0.400 1 1236 108 108 PRO CG C 27.126 0.400 1 1237 108 108 PRO CD C 49.777 0.400 1 1238 109 109 PRO HA H 4.044 0.020 1 1239 109 109 PRO HB2 H 2.264 0.020 2 1240 109 109 PRO HB3 H 1.515 0.020 2 1241 109 109 PRO HG2 H 1.817 0.020 2 1242 109 109 PRO HG3 H 1.817 0.020 2 1243 109 109 PRO HD2 H 3.671 0.020 2 1244 109 109 PRO HD3 H 3.451 0.020 2 1245 109 109 PRO CA C 62.600 0.400 1 1246 109 109 PRO CB C 32.449 0.400 1 1247 109 109 PRO CG C 27.072 0.400 1 1248 109 109 PRO CD C 50.092 0.400 1 1249 110 110 LYS HA H 3.920 0.020 1 1250 110 110 LYS HB2 H 1.142 0.020 2 1251 110 110 LYS HB3 H -0.199 0.020 2 1252 110 110 LYS HG2 H 0.503 0.020 2 1253 110 110 LYS HG3 H 0.503 0.020 2 1254 110 110 LYS HD2 H 1.021 0.020 2 1255 110 110 LYS HD3 H 0.877 0.020 2 1256 110 110 LYS HE2 H 2.644 0.020 2 1257 110 110 LYS HE3 H 2.644 0.020 2 1258 110 110 LYS C C 173.929 0.400 1 1259 110 110 LYS CA C 54.551 0.400 1 1260 110 110 LYS CB C 29.681 0.400 1 1261 110 110 LYS CG C 24.359 0.400 1 1262 110 110 LYS CD C 28.114 0.400 1 1263 110 110 LYS CE C 41.832 0.400 1 1264 111 111 TYR H H 6.769 0.020 1 1265 111 111 TYR HA H 5.477 0.020 1 1266 111 111 TYR HB2 H 2.945 0.020 2 1267 111 111 TYR HB3 H 2.875 0.020 2 1268 111 111 TYR HD1 H 6.886 0.020 1 1269 111 111 TYR HD2 H 6.886 0.020 1 1270 111 111 TYR HE1 H 6.770 0.020 1 1271 111 111 TYR HE2 H 6.770 0.020 1 1272 111 111 TYR C C 173.267 0.400 1 1273 111 111 TYR CA C 55.953 0.400 1 1274 111 111 TYR CB C 42.139 0.400 1 1275 111 111 TYR CE1 C 117.440 0.400 1 1276 111 111 TYR N N 111.687 0.400 1 1277 112 112 THR H H 8.729 0.020 1 1278 112 112 THR HA H 4.294 0.020 1 1279 112 112 THR HB H 4.039 0.020 1 1280 112 112 THR HG2 H 1.055 0.020 1 1281 112 112 THR C C 173.122 0.400 1 1282 112 112 THR CA C 60.737 0.400 1 1283 112 112 THR CB C 71.330 0.400 1 1284 112 112 THR CG2 C 21.407 0.400 1 1285 112 112 THR N N 112.341 0.400 1 1286 113 113 LYS H H 9.058 0.020 1 1287 113 113 LYS HA H 5.369 0.020 1 1288 113 113 LYS HB2 H 1.973 0.020 2 1289 113 113 LYS HB3 H 1.517 0.020 2 1290 113 113 LYS HG2 H 1.396 0.020 2 1291 113 113 LYS HG3 H 1.007 0.020 2 1292 113 113 LYS HD2 H 1.702 0.020 2 1293 113 113 LYS HD3 H 1.390 0.020 2 1294 113 113 LYS HE2 H 2.958 0.020 2 1295 113 113 LYS HE3 H 2.537 0.020 2 1296 113 113 LYS C C 175.139 0.400 1 1297 113 113 LYS CA C 55.223 0.400 1 1298 113 113 LYS CB C 36.278 0.400 1 1299 113 113 LYS CG C 27.814 0.400 1 1300 113 113 LYS CD C 28.485 0.400 1 1301 113 113 LYS CE C 42.496 0.400 1 1302 113 113 LYS N N 125.527 0.400 1 1303 114 114 SER H H 9.027 0.020 1 1304 114 114 SER HA H 4.803 0.020 1 1305 114 114 SER HB2 H 3.766 0.020 2 1306 114 114 SER HB3 H 3.672 0.020 2 1307 114 114 SER C C 173.722 0.400 1 1308 114 114 SER CA C 56.720 0.400 1 1309 114 114 SER CB C 64.476 0.400 1 1310 114 114 SER N N 122.768 0.400 1 1311 115 115 VAL H H 9.187 0.020 1 1312 115 115 VAL HA H 3.762 0.020 1 1313 115 115 VAL HB H 1.983 0.020 1 1314 115 115 VAL HG1 H 1.000 0.020 2 1315 115 115 VAL HG2 H 0.812 0.020 2 1316 115 115 VAL C C 175.631 0.400 1 1317 115 115 VAL CA C 64.974 0.400 1 1318 115 115 VAL CB C 31.781 0.400 1 1319 115 115 VAL CG1 C 21.852 0.400 1 1320 115 115 VAL CG2 C 21.284 0.400 1 1321 115 115 VAL N N 127.753 0.400 1 1322 116 116 LEU H H 9.094 0.020 1 1323 116 116 LEU HA H 4.359 0.020 1 1324 116 116 LEU HB2 H 1.553 0.020 2 1325 116 116 LEU HB3 H 1.478 0.020 2 1326 116 116 LEU HG H 1.243 0.020 1 1327 116 116 LEU HD1 H 0.711 0.020 2 1328 116 116 LEU HD2 H 0.729 0.020 2 1329 116 116 LEU C C 177.250 0.400 1 1330 116 116 LEU CA C 55.579 0.400 1 1331 116 116 LEU CB C 42.386 0.400 1 1332 116 116 LEU CD1 C 21.682 0.400 1 1333 116 116 LEU CD2 C 25.567 0.400 1 1334 116 116 LEU N N 129.999 0.400 1 1335 117 117 LYS H H 8.033 0.020 1 1336 117 117 LYS HA H 4.386 0.020 1 1337 117 117 LYS HB2 H 1.706 0.020 2 1338 117 117 LYS HB3 H 1.634 0.020 2 1339 117 117 LYS HG2 H 1.395 0.020 2 1340 117 117 LYS HG3 H 1.379 0.020 2 1341 117 117 LYS HD2 H 1.571 0.020 2 1342 117 117 LYS HD3 H 1.571 0.020 2 1343 117 117 LYS HE2 H 2.867 0.020 2 1344 117 117 LYS HE3 H 2.867 0.020 2 1345 117 117 LYS C C 174.683 0.400 1 1346 117 117 LYS CA C 55.803 0.400 1 1347 117 117 LYS CB C 35.888 0.400 1 1348 117 117 LYS CG C 24.312 0.400 1 1349 117 117 LYS CD C 29.326 0.400 1 1350 117 117 LYS CE C 42.081 0.400 1 1351 117 117 LYS N N 120.979 0.400 1 1352 118 118 LYS H H 8.661 0.020 1 1353 118 118 LYS HA H 4.050 0.020 1 1354 118 118 LYS HB2 H 1.782 0.020 2 1355 118 118 LYS HB3 H 1.714 0.020 2 1356 118 118 LYS HG2 H 1.481 0.020 2 1357 118 118 LYS HG3 H 1.442 0.020 2 1358 118 118 LYS HD2 H 1.643 0.020 2 1359 118 118 LYS HD3 H 1.643 0.020 2 1360 118 118 LYS HE2 H 2.939 0.020 2 1361 118 118 LYS HE3 H 2.917 0.020 2 1362 118 118 LYS C C 177.353 0.400 1 1363 118 118 LYS CA C 57.528 0.400 1 1364 118 118 LYS CB C 33.147 0.400 1 1365 118 118 LYS CG C 25.180 0.400 1 1366 118 118 LYS CD C 29.418 0.400 1 1367 118 118 LYS N N 125.921 0.400 1 1368 119 119 GLY H H 8.845 0.020 1 1369 119 119 GLY HA2 H 4.000 0.020 2 1370 119 119 GLY HA3 H 3.504 0.020 2 1371 119 119 GLY C C 173.611 0.400 1 1372 119 119 GLY CA C 43.969 0.400 1 1373 119 119 GLY N N 109.742 0.400 1 1374 120 120 ASP H H 8.207 0.020 1 1375 120 120 ASP HA H 4.140 0.020 1 1376 120 120 ASP HB2 H 2.959 0.020 2 1377 120 120 ASP HB3 H 2.584 0.020 2 1378 120 120 ASP C C 178.407 0.400 1 1379 120 120 ASP CA C 54.570 0.400 1 1380 120 120 ASP CB C 40.008 0.400 1 1381 120 120 ASP N N 117.384 0.400 1 1382 121 121 LYS H H 8.769 0.020 1 1383 121 121 LYS HA H 3.531 0.020 1 1384 121 121 LYS HB2 H 2.049 0.020 2 1385 121 121 LYS HB3 H 2.049 0.020 2 1386 121 121 LYS HG2 H 1.387 0.020 2 1387 121 121 LYS HG3 H 1.323 0.020 2 1388 121 121 LYS HD2 H 1.649 0.020 2 1389 121 121 LYS HD3 H 1.649 0.020 2 1390 121 121 LYS HE2 H 2.704 0.020 2 1391 121 121 LYS HE3 H 2.659 0.020 2 1392 121 121 LYS C C 174.885 0.400 1 1393 121 121 LYS CA C 57.958 0.400 1 1394 121 121 LYS CB C 30.556 0.400 1 1395 121 121 LYS CG C 24.925 0.400 1 1396 121 121 LYS CD C 29.332 0.400 1 1397 121 121 LYS CE C 41.628 0.400 1 1398 121 121 LYS N N 115.876 0.400 1 1399 122 122 THR H H 8.948 0.020 1 1400 122 122 THR HA H 4.382 0.020 1 1401 122 122 THR HB H 3.542 0.020 1 1402 122 122 THR HG2 H 1.046 0.020 1 1403 122 122 THR C C 172.691 0.400 1 1404 122 122 THR CA C 64.567 0.400 1 1405 122 122 THR CB C 72.041 0.400 1 1406 122 122 THR CG2 C 20.146 0.400 1 1407 122 122 THR N N 114.658 0.400 1 1408 123 123 ASN H H 9.735 0.020 1 1409 123 123 ASN HA H 4.809 0.020 1 1410 123 123 ASN HB2 H 2.906 0.020 2 1411 123 123 ASN HB3 H 2.245 0.020 2 1412 123 123 ASN HD21 H 9.180 0.020 2 1413 123 123 ASN HD22 H 6.986 0.020 2 1414 123 123 ASN C C 171.668 0.400 1 1415 123 123 ASN CA C 53.526 0.400 1 1416 123 123 ASN CB C 39.577 0.400 1 1417 123 123 ASN N N 125.095 0.400 1 1418 123 123 ASN ND2 N 120.073 0.400 1 1419 124 124 PHE H H 8.365 0.020 1 1420 124 124 PHE HA H 5.167 0.020 1 1421 124 124 PHE HB2 H 2.837 0.020 2 1422 124 124 PHE HB3 H 2.579 0.020 2 1423 124 124 PHE HD1 H 6.897 0.020 1 1424 124 124 PHE HD2 H 6.897 0.020 1 1425 124 124 PHE HE1 H 6.955 0.020 1 1426 124 124 PHE HE2 H 6.955 0.020 1 1427 124 124 PHE HZ H 7.000 0.020 1 1428 124 124 PHE CA C 53.744 0.400 1 1429 124 124 PHE CB C 40.051 0.400 1 1430 124 124 PHE N N 122.574 0.400 1 1431 125 125 PRO HA H 4.533 0.020 1 1432 125 125 PRO HB2 H 1.855 0.020 2 1433 125 125 PRO HB3 H 1.537 0.020 2 1434 125 125 PRO HG2 H 1.956 0.020 2 1435 125 125 PRO HG3 H 1.585 0.020 2 1436 125 125 PRO HD2 H 4.110 0.020 2 1437 125 125 PRO HD3 H 3.972 0.020 2 1438 125 125 PRO C C 174.224 0.400 1 1439 125 125 PRO CA C 62.401 0.400 1 1440 125 125 PRO CB C 32.679 0.400 1 1441 125 125 PRO CG C 28.264 0.400 1 1442 126 126 LYS H H 9.076 0.020 1 1443 126 126 LYS HA H 4.425 0.020 1 1444 126 126 LYS HB2 H 1.654 0.020 2 1445 126 126 LYS HB3 H 1.584 0.020 2 1446 126 126 LYS HG2 H 1.422 0.020 2 1447 126 126 LYS HG3 H 1.317 0.020 2 1448 126 126 LYS HE2 H 2.953 0.020 2 1449 126 126 LYS HE3 H 2.953 0.020 2 1450 126 126 LYS C C 175.613 0.400 1 1451 126 126 LYS CA C 53.264 0.400 1 1452 126 126 LYS CB C 34.381 0.400 1 1453 126 126 LYS N N 121.336 0.400 1 1454 127 127 LYS H H 8.408 0.020 1 1455 127 127 LYS HA H 3.647 0.020 1 1456 127 127 LYS HB2 H 1.598 0.020 2 1457 127 127 LYS HB3 H 1.571 0.020 2 1458 127 127 LYS HG2 H 1.443 0.020 2 1459 127 127 LYS HG3 H 1.157 0.020 2 1460 127 127 LYS HD2 H 1.594 0.020 2 1461 127 127 LYS HD3 H 1.594 0.020 2 1462 127 127 LYS HE2 H 2.847 0.020 2 1463 127 127 LYS HE3 H 2.847 0.020 2 1464 127 127 LYS C C 177.679 0.400 1 1465 127 127 LYS CA C 59.120 0.400 1 1466 127 127 LYS CB C 31.928 0.400 1 1467 127 127 LYS CG C 25.432 0.400 1 1468 127 127 LYS CD C 29.840 0.400 1 1469 127 127 LYS N N 119.091 0.400 1 1470 128 128 GLY H H 9.144 0.020 1 1471 128 128 GLY HA2 H 4.364 0.020 2 1472 128 128 GLY HA3 H 3.219 0.020 2 1473 128 128 GLY C C 174.005 0.400 1 1474 128 128 GLY CA C 44.907 0.400 1 1475 128 128 GLY N N 114.778 0.400 1 1476 129 129 ASP H H 8.227 0.020 1 1477 129 129 ASP HA H 4.534 0.020 1 1478 129 129 ASP HB2 H 2.627 0.020 2 1479 129 129 ASP HB3 H 2.415 0.020 2 1480 129 129 ASP C C 174.881 0.400 1 1481 129 129 ASP CA C 54.757 0.400 1 1482 129 129 ASP CB C 41.324 0.400 1 1483 129 129 ASP N N 121.843 0.400 1 1484 130 130 VAL H H 8.523 0.020 1 1485 130 130 VAL HA H 4.064 0.020 1 1486 130 130 VAL HB H 1.785 0.020 1 1487 130 130 VAL HG1 H 0.729 0.020 2 1488 130 130 VAL HG2 H 0.263 0.020 2 1489 130 130 VAL C C 175.230 0.400 1 1490 130 130 VAL CA C 62.224 0.400 1 1491 130 130 VAL CB C 31.835 0.400 1 1492 130 130 VAL CG1 C 21.845 0.400 1 1493 130 130 VAL CG2 C 21.454 0.400 1 1494 130 130 VAL N N 120.805 0.400 1 1495 131 131 VAL H H 7.917 0.020 1 1496 131 131 VAL HA H 4.669 0.020 1 1497 131 131 VAL HB H 1.669 0.020 1 1498 131 131 VAL HG1 H 0.583 0.020 2 1499 131 131 VAL HG2 H -0.194 0.020 2 1500 131 131 VAL C C 173.349 0.400 1 1501 131 131 VAL CA C 58.029 0.400 1 1502 131 131 VAL CB C 33.603 0.400 1 1503 131 131 VAL CG1 C 22.694 0.400 1 1504 131 131 VAL CG2 C 17.789 0.400 1 1505 131 131 VAL N N 117.190 0.400 1 1506 132 132 HIS H H 7.273 0.020 1 1507 132 132 HIS HA H 5.153 0.020 1 1508 132 132 HIS HB2 H 2.424 0.020 2 1509 132 132 HIS HB3 H 2.235 0.020 2 1510 132 132 HIS HD2 H 6.172 0.020 1 1511 132 132 HIS HE1 H 7.478 0.020 1 1512 132 132 HIS C C 176.732 0.400 1 1513 132 132 HIS CA C 54.066 0.400 1 1514 132 132 HIS CB C 33.419 0.400 1 1515 132 132 HIS CD2 C 117.257 0.400 1 1516 132 132 HIS CE1 C 137.874 0.400 1 1517 132 132 HIS N N 117.122 0.400 1 1518 133 133 CYS H H 9.484 0.020 1 1519 133 133 CYS HA H 5.919 0.020 1 1520 133 133 CYS HB2 H 2.948 0.020 2 1521 133 133 CYS HB3 H 2.869 0.020 2 1522 133 133 CYS C C 174.963 0.400 1 1523 133 133 CYS CA C 57.148 0.400 1 1524 133 133 CYS CB C 33.307 0.400 1 1525 133 133 CYS N N 117.783 0.400 1 1526 134 134 TRP H H 8.619 0.020 1 1527 134 134 TRP HA H 5.746 0.020 1 1528 134 134 TRP HB2 H 3.295 0.020 2 1529 134 134 TRP HB3 H 3.120 0.020 2 1530 134 134 TRP HD1 H 6.940 0.020 1 1531 134 134 TRP HE1 H 10.311 0.020 1 1532 134 134 TRP HE3 H 7.597 0.020 1 1533 134 134 TRP HZ2 H 7.369 0.020 1 1534 134 134 TRP HZ3 H 6.948 0.020 1 1535 134 134 TRP HH2 H 6.728 0.020 1 1536 134 134 TRP C C 176.348 0.400 1 1537 134 134 TRP CA C 55.317 0.400 1 1538 134 134 TRP CB C 32.792 0.400 1 1539 134 134 TRP CE3 C 120.993 0.400 1 1540 134 134 TRP CZ3 C 122.665 0.400 1 1541 134 134 TRP CH2 C 123.472 0.400 1 1542 134 134 TRP N N 124.002 0.400 1 1543 134 134 TRP NE1 N 129.101 0.400 1 1544 135 135 TYR H H 9.775 0.020 1 1545 135 135 TYR HA H 6.111 0.020 1 1546 135 135 TYR HB2 H 2.879 0.020 2 1547 135 135 TYR HB3 H 2.711 0.020 2 1548 135 135 TYR HD1 H 6.738 0.020 1 1549 135 135 TYR HD2 H 6.738 0.020 1 1550 135 135 TYR HE1 H 6.533 0.020 1 1551 135 135 TYR HE2 H 6.533 0.020 1 1552 135 135 TYR C C 173.202 0.400 1 1553 135 135 TYR CA C 56.913 0.400 1 1554 135 135 TYR CB C 43.671 0.400 1 1555 135 135 TYR N N 121.275 0.400 1 1556 136 136 THR H H 8.497 0.020 1 1557 136 136 THR HA H 4.223 0.020 1 1558 136 136 THR HB H 3.749 0.020 1 1559 136 136 THR HG2 H 1.007 0.020 1 1560 136 136 THR C C 173.079 0.400 1 1561 136 136 THR CA C 63.308 0.400 1 1562 136 136 THR CB C 71.886 0.400 1 1563 136 136 THR CG2 C 22.406 0.400 1 1564 136 136 THR N N 115.731 0.400 1 1565 137 137 GLY H H 9.265 0.020 1 1566 137 137 GLY HA2 H 4.282 0.020 2 1567 137 137 GLY HA3 H 2.032 0.020 2 1568 137 137 GLY C C 171.770 0.400 1 1569 137 137 GLY CA C 44.817 0.400 1 1570 137 137 GLY N N 117.977 0.400 1 1571 138 138 THR H H 9.324 0.020 1 1572 138 138 THR HA H 5.362 0.020 1 1573 138 138 THR HB H 3.899 0.020 1 1574 138 138 THR HG2 H 0.910 0.020 1 1575 138 138 THR C C 175.219 0.400 1 1576 138 138 THR CA C 59.286 0.400 1 1577 138 138 THR CB C 72.202 0.400 1 1578 138 138 THR CG2 C 22.522 0.400 1 1579 138 138 THR N N 117.621 0.400 1 1580 139 139 LEU H H 8.574 0.020 1 1581 139 139 LEU HA H 4.762 0.020 1 1582 139 139 LEU HB2 H 2.096 0.020 2 1583 139 139 LEU HB3 H 1.857 0.020 2 1584 139 139 LEU HG H 1.825 0.020 1 1585 139 139 LEU HD1 H 0.985 0.020 2 1586 139 139 LEU HD2 H 0.754 0.020 2 1587 139 139 LEU C C 180.386 0.400 1 1588 139 139 LEU CA C 53.638 0.400 1 1589 139 139 LEU CB C 42.553 0.400 1 1590 139 139 LEU CD1 C 25.450 0.400 1 1591 139 139 LEU CD2 C 23.236 0.400 1 1592 139 139 LEU N N 119.789 0.400 1 1593 140 140 GLN H H 9.614 0.020 1 1594 140 140 GLN HA H 4.000 0.020 1 1595 140 140 GLN HB2 H 2.120 0.020 2 1596 140 140 GLN HB3 H 2.099 0.020 2 1597 140 140 GLN HG2 H 2.468 0.020 2 1598 140 140 GLN HG3 H 2.430 0.020 2 1599 140 140 GLN HE21 H 7.400 0.020 2 1600 140 140 GLN HE22 H 7.087 0.020 2 1601 140 140 GLN C C 176.536 0.400 1 1602 140 140 GLN CA C 58.622 0.400 1 1603 140 140 GLN CB C 28.278 0.400 1 1604 140 140 GLN CG C 34.017 0.400 1 1605 140 140 GLN N N 121.655 0.400 1 1606 140 140 GLN NE2 N 113.726 0.400 1 1607 141 141 ASP H H 7.647 0.020 1 1608 141 141 ASP HA H 4.424 0.020 1 1609 141 141 ASP HB2 H 3.022 0.020 2 1610 141 141 ASP HB3 H 2.517 0.020 2 1611 141 141 ASP C C 177.008 0.400 1 1612 141 141 ASP CA C 53.256 0.400 1 1613 141 141 ASP CB C 39.788 0.400 1 1614 141 141 ASP N N 115.689 0.400 1 1615 142 142 GLY H H 8.093 0.020 1 1616 142 142 GLY HA2 H 4.284 0.020 2 1617 142 142 GLY HA3 H 3.483 0.020 2 1618 142 142 GLY C C 174.511 0.400 1 1619 142 142 GLY CA C 44.595 0.400 1 1620 142 142 GLY N N 108.183 0.400 1 1621 143 143 THR H H 8.081 0.020 1 1622 143 143 THR HA H 3.809 0.020 1 1623 143 143 THR HB H 3.999 0.020 1 1624 143 143 THR HG2 H 1.066 0.020 1 1625 143 143 THR C C 174.160 0.400 1 1626 143 143 THR CA C 64.406 0.400 1 1627 143 143 THR CB C 69.153 0.400 1 1628 143 143 THR CG2 C 20.602 0.400 1 1629 143 143 THR N N 118.312 0.400 1 1630 144 144 VAL H H 8.765 0.020 1 1631 144 144 VAL HA H 4.229 0.020 1 1632 144 144 VAL HB H 1.906 0.020 1 1633 144 144 VAL HG1 H 0.821 0.020 2 1634 144 144 VAL HG2 H 0.672 0.020 2 1635 144 144 VAL C C 176.269 0.400 1 1636 144 144 VAL CA C 62.011 0.400 1 1637 144 144 VAL CB C 31.809 0.400 1 1638 144 144 VAL CG1 C 21.090 0.400 1 1639 144 144 VAL CG2 C 21.055 0.400 1 1640 144 144 VAL N N 129.061 0.400 1 1641 145 145 PHE H H 8.109 0.020 1 1642 145 145 PHE HA H 4.963 0.020 1 1643 145 145 PHE HB2 H 3.457 0.020 2 1644 145 145 PHE HB3 H 2.550 0.020 2 1645 145 145 PHE HD1 H 6.968 0.020 1 1646 145 145 PHE HD2 H 6.968 0.020 1 1647 145 145 PHE HE1 H 7.277 0.020 1 1648 145 145 PHE HE2 H 7.277 0.020 1 1649 145 145 PHE HZ H 7.127 0.020 1 1650 145 145 PHE C C 175.095 0.400 1 1651 145 145 PHE CA C 56.386 0.400 1 1652 145 145 PHE CB C 40.164 0.400 1 1653 145 145 PHE CD1 C 130.633 0.400 1 1654 145 145 PHE CE1 C 130.708 0.400 1 1655 145 145 PHE N N 125.694 0.400 1 1656 146 146 ASP H H 6.636 0.020 1 1657 146 146 ASP HA H 4.816 0.020 1 1658 146 146 ASP HB2 H 3.287 0.020 2 1659 146 146 ASP HB3 H 2.275 0.020 2 1660 146 146 ASP C C 173.268 0.400 1 1661 146 146 ASP CA C 54.998 0.400 1 1662 146 146 ASP CB C 43.675 0.400 1 1663 146 146 ASP N N 119.282 0.400 1 1664 147 147 THR H H 8.026 0.020 1 1665 147 147 THR HA H 4.315 0.020 1 1666 147 147 THR HB H 4.289 0.020 1 1667 147 147 THR HG1 H 5.368 0.020 1 1668 147 147 THR HG2 H 0.945 0.020 1 1669 147 147 THR C C 171.040 0.400 1 1670 147 147 THR CA C 59.763 0.400 1 1671 147 147 THR CB C 68.875 0.400 1 1672 147 147 THR CG2 C 17.753 0.400 1 1673 147 147 THR N N 119.689 0.400 1 1674 148 148 ASN H H 7.613 0.020 1 1675 148 148 ASN HA H 4.933 0.020 1 1676 148 148 ASN HB2 H 3.638 0.020 2 1677 148 148 ASN HB3 H 2.645 0.020 2 1678 148 148 ASN HD21 H 8.219 0.020 2 1679 148 148 ASN HD22 H 6.976 0.020 2 1680 148 148 ASN C C 174.652 0.400 1 1681 148 148 ASN CA C 51.339 0.400 1 1682 148 148 ASN CB C 38.456 0.400 1 1683 148 148 ASN N N 123.138 0.400 1 1684 148 148 ASN ND2 N 109.395 0.400 1 1685 149 149 ILE H H 8.218 0.020 1 1686 149 149 ILE HA H 3.751 0.020 1 1687 149 149 ILE HB H 1.496 0.020 1 1688 149 149 ILE HG12 H 1.532 0.020 2 1689 149 149 ILE HG13 H 0.704 0.020 2 1690 149 149 ILE HG2 H 0.477 0.020 1 1691 149 149 ILE HD1 H 0.545 0.020 1 1692 149 149 ILE C C 176.376 0.400 1 1693 149 149 ILE CA C 61.106 0.400 1 1694 149 149 ILE CB C 38.172 0.400 1 1695 149 149 ILE CG1 C 27.848 0.400 1 1696 149 149 ILE CG2 C 17.102 0.400 1 1697 149 149 ILE CD1 C 13.183 0.400 1 1698 149 149 ILE N N 121.836 0.400 1 1699 150 150 GLN H H 8.183 0.020 1 1700 150 150 GLN HA H 4.274 0.020 1 1701 150 150 GLN HB2 H 1.910 0.020 2 1702 150 150 GLN HB3 H 1.647 0.020 2 1703 150 150 GLN HG2 H 2.208 0.020 2 1704 150 150 GLN HG3 H 2.191 0.020 2 1705 150 150 GLN HE21 H 7.411 0.020 2 1706 150 150 GLN HE22 H 6.845 0.020 2 1707 150 150 GLN C C 175.780 0.400 1 1708 150 150 GLN CA C 54.808 0.400 1 1709 150 150 GLN CB C 29.302 0.400 1 1710 150 150 GLN CG C 33.318 0.400 1 1711 150 150 GLN N N 126.062 0.400 1 1712 150 150 GLN NE2 N 112.471 0.400 1 1713 151 151 THR HA H 4.171 0.020 1 1714 151 151 THR HB H 4.182 0.020 1 1715 151 151 THR HG2 H 1.022 0.020 1 1716 151 151 THR CA C 61.658 0.400 1 1717 151 151 THR CB C 69.594 0.400 1 1718 151 151 THR CG2 C 21.407 0.400 1 1719 152 152 SER H H 8.403 0.020 1 1720 152 152 SER HA H 4.327 0.020 1 1721 152 152 SER HB2 H 3.772 0.020 2 1722 152 152 SER HB3 H 3.750 0.020 2 1723 152 152 SER CA C 58.207 0.400 1 1724 152 152 SER CB C 63.575 0.400 1 1725 152 152 SER N N 122.481 0.400 1 1726 153 153 ALA HA H 4.036 0.020 1 1727 153 153 ALA HB H 1.317 0.020 1 1728 153 153 ALA C C 178.654 0.400 1 1729 153 153 ALA CA C 54.009 0.400 1 1730 153 153 ALA CB C 18.609 0.400 1 1731 154 154 LYS H H 8.008 0.020 1 1732 154 154 LYS HA H 4.085 0.020 1 1733 154 154 LYS HB2 H 1.721 0.020 2 1734 154 154 LYS HG2 H 1.317 0.020 2 1735 154 154 LYS HG3 H 1.278 0.020 2 1736 154 154 LYS HD2 H 1.583 0.020 2 1737 154 154 LYS HD3 H 1.583 0.020 2 1738 154 154 LYS HE2 H 2.883 0.020 2 1739 154 154 LYS HE3 H 2.883 0.020 2 1740 154 154 LYS C C 177.035 0.400 1 1741 154 154 LYS CA C 57.166 0.400 1 1742 154 154 LYS CB C 32.611 0.400 1 1743 154 154 LYS CG C 24.916 0.400 1 1744 154 154 LYS CD C 28.915 0.400 1 1745 154 154 LYS CE C 42.676 0.400 1 1746 154 154 LYS N N 117.501 0.400 1 1747 155 155 LYS H H 7.683 0.020 1 1748 155 155 LYS HA H 4.160 0.020 1 1749 155 155 LYS HB2 H 1.699 0.020 2 1750 155 155 LYS HB3 H 1.654 0.020 2 1751 155 155 LYS HG2 H 1.317 0.020 2 1752 155 155 LYS HG3 H 1.317 0.020 2 1753 155 155 LYS HD2 H 1.579 0.020 2 1754 155 155 LYS HD3 H 1.579 0.020 2 1755 155 155 LYS HE2 H 2.874 0.020 2 1756 155 155 LYS HE3 H 2.874 0.020 2 1757 155 155 LYS C C 177.110 0.400 1 1758 155 155 LYS CA C 56.525 0.400 1 1759 155 155 LYS CB C 32.938 0.400 1 1760 155 155 LYS CG C 24.678 0.400 1 1761 155 155 LYS CD C 28.954 0.400 1 1762 155 155 LYS CE C 41.877 0.400 1 1763 155 155 LYS N N 119.429 0.400 1 1764 156 156 LYS H H 8.170 0.020 1 1765 156 156 LYS HA H 4.098 0.020 1 1766 156 156 LYS HB3 H 1.662 0.020 2 1767 156 156 LYS HG2 H 1.347 0.020 2 1768 156 156 LYS HG3 H 1.347 0.020 2 1769 156 156 LYS HD2 H 1.583 0.020 2 1770 156 156 LYS HD3 H 1.583 0.020 2 1771 156 156 LYS HE2 H 2.879 0.020 2 1772 156 156 LYS HE3 H 2.879 0.020 2 1773 156 156 LYS C C 177.193 0.400 1 1774 156 156 LYS CA C 57.232 0.400 1 1775 156 156 LYS CB C 32.674 0.400 1 1776 156 156 LYS CG C 24.926 0.400 1 1777 156 156 LYS CD C 28.959 0.400 1 1778 156 156 LYS N N 121.417 0.400 1 1779 157 157 LYS H H 8.170 0.020 1 1780 157 157 LYS HA H 4.048 0.020 1 1781 157 157 LYS HB2 H 1.694 0.020 2 1782 157 157 LYS HB3 H 1.694 0.020 2 1783 157 157 LYS HG2 H 1.304 0.020 2 1784 157 157 LYS HG3 H 1.304 0.020 2 1785 157 157 LYS HD2 H 1.516 0.020 2 1786 157 157 LYS HD3 H 1.516 0.020 2 1787 157 157 LYS HE2 H 2.808 0.020 2 1788 157 157 LYS HE3 H 2.808 0.020 2 1789 157 157 LYS C C 177.169 0.400 1 1790 157 157 LYS CA C 57.296 0.400 1 1791 157 157 LYS CB C 33.014 0.400 1 1792 157 157 LYS CG C 24.762 0.400 1 1793 157 157 LYS CD C 28.853 0.400 1 1794 157 157 LYS CE C 41.644 0.400 1 1795 157 157 LYS N N 121.389 0.400 1 1796 158 158 ASN H H 7.988 0.020 1 1797 158 158 ASN HA H 4.685 0.020 1 1798 158 158 ASN HB2 H 2.855 0.020 2 1799 158 158 ASN HB3 H 2.699 0.020 2 1800 158 158 ASN HD21 H 7.574 0.020 2 1801 158 158 ASN HD22 H 6.906 0.020 2 1802 158 158 ASN C C 174.539 0.400 1 1803 158 158 ASN CA C 53.020 0.400 1 1804 158 158 ASN CB C 38.601 0.400 1 1805 158 158 ASN N N 120.641 0.400 1 1806 158 158 ASN ND2 N 112.829 0.400 1 1807 159 159 ALA H H 7.744 0.020 1 1808 159 159 ALA HA H 4.397 0.020 1 1809 159 159 ALA HB H 1.523 0.020 1 1810 159 159 ALA C C 176.939 0.400 1 1811 159 159 ALA CA C 52.735 0.400 1 1812 159 159 ALA CB C 19.800 0.400 1 1813 159 159 ALA N N 123.850 0.400 1 1814 160 160 LYS H H 8.437 0.020 1 1815 160 160 LYS HA H 4.802 0.020 1 1816 160 160 LYS HB2 H 1.776 0.020 2 1817 160 160 LYS HB3 H 1.655 0.020 2 1818 160 160 LYS HG2 H 1.464 0.020 2 1819 160 160 LYS HG3 H 1.437 0.020 2 1820 160 160 LYS HD2 H 1.644 0.020 2 1821 160 160 LYS HD3 H 1.624 0.020 2 1822 160 160 LYS HE2 H 2.958 0.020 2 1823 160 160 LYS HE3 H 2.906 0.020 2 1824 160 160 LYS C C 173.267 0.400 1 1825 160 160 LYS CA C 53.532 0.400 1 1826 160 160 LYS CB C 33.795 0.400 1 1827 160 160 LYS CG C 24.396 0.400 1 1828 160 160 LYS CD C 28.961 0.400 1 1829 160 160 LYS N N 121.632 0.400 1 1830 161 161 PRO HA H 3.149 0.020 1 1831 161 161 PRO HB2 H 1.147 0.020 2 1832 161 161 PRO HB3 H 0.458 0.020 2 1833 161 161 PRO HG2 H 1.513 0.020 2 1834 161 161 PRO HG3 H 0.975 0.020 2 1835 161 161 PRO HD2 H 3.401 0.020 2 1836 161 161 PRO HD3 H 3.401 0.020 2 1837 161 161 PRO C C 175.588 0.400 1 1838 161 161 PRO CA C 61.697 0.400 1 1839 161 161 PRO CB C 30.747 0.400 1 1840 161 161 PRO CG C 26.285 0.400 1 1841 161 161 PRO CD C 49.902 0.400 1 1842 162 162 LEU H H 7.957 0.020 1 1843 162 162 LEU HA H 4.384 0.020 1 1844 162 162 LEU HB2 H 1.944 0.020 2 1845 162 162 LEU HB3 H 1.872 0.020 2 1846 162 162 LEU HG H 1.499 0.020 1 1847 162 162 LEU HD1 H 0.765 0.020 2 1848 162 162 LEU HD2 H 1.047 0.020 2 1849 162 162 LEU C C 175.761 0.400 1 1850 162 162 LEU CA C 55.396 0.400 1 1851 162 162 LEU CB C 43.248 0.400 1 1852 162 162 LEU CG C 28.209 0.400 1 1853 162 162 LEU CD1 C 27.233 0.400 1 1854 162 162 LEU CD2 C 22.749 0.400 1 1855 162 162 LEU N N 123.313 0.400 1 1856 163 163 SER H H 8.427 0.020 1 1857 163 163 SER HA H 5.697 0.020 1 1858 163 163 SER HB2 H 3.185 0.020 2 1859 163 163 SER HB3 H 3.107 0.020 2 1860 163 163 SER C C 174.077 0.400 1 1861 163 163 SER CA C 55.120 0.400 1 1862 163 163 SER CB C 64.924 0.400 1 1863 163 163 SER N N 122.451 0.400 1 1864 164 164 PHE H H 7.625 0.020 1 1865 164 164 PHE HA H 4.556 0.020 1 1866 164 164 PHE HB2 H 3.053 0.020 2 1867 164 164 PHE HB3 H 2.500 0.020 2 1868 164 164 PHE HD1 H 6.521 0.020 1 1869 164 164 PHE HD2 H 6.521 0.020 1 1870 164 164 PHE HE1 H 6.550 0.020 1 1871 164 164 PHE HE2 H 6.550 0.020 1 1872 164 164 PHE HZ H 6.243 0.020 1 1873 164 164 PHE C C 172.147 0.400 1 1874 164 164 PHE CA C 55.663 0.400 1 1875 164 164 PHE CB C 39.722 0.400 1 1876 164 164 PHE N N 118.333 0.400 1 1877 165 165 LYS H H 8.268 0.020 1 1878 165 165 LYS HA H 4.633 0.020 1 1879 165 165 LYS HB2 H 1.448 0.020 2 1880 165 165 LYS HB3 H 1.342 0.020 2 1881 165 165 LYS HG2 H 1.247 0.020 2 1882 165 165 LYS HG3 H 1.150 0.020 2 1883 165 165 LYS HD2 H 1.532 0.020 2 1884 165 165 LYS HD3 H 1.532 0.020 2 1885 165 165 LYS HE2 H 2.847 0.020 2 1886 165 165 LYS HE3 H 2.847 0.020 2 1887 165 165 LYS C C 175.478 0.400 1 1888 165 165 LYS CA C 55.500 0.400 1 1889 165 165 LYS CB C 33.646 0.400 1 1890 165 165 LYS CG C 25.042 0.400 1 1891 165 165 LYS CD C 29.545 0.400 1 1892 165 165 LYS CE C 41.576 0.400 1 1893 165 165 LYS N N 120.479 0.400 1 1894 166 166 VAL H H 8.896 0.020 1 1895 166 166 VAL HA H 4.059 0.020 1 1896 166 166 VAL HB H 1.765 0.020 1 1897 166 166 VAL HG1 H 0.926 0.020 2 1898 166 166 VAL HG2 H 0.738 0.020 2 1899 166 166 VAL C C 175.361 0.400 1 1900 166 166 VAL CA C 61.885 0.400 1 1901 166 166 VAL CB C 33.664 0.400 1 1902 166 166 VAL CG1 C 25.003 0.400 1 1903 166 166 VAL CG2 C 21.543 0.400 1 1904 166 166 VAL N N 126.320 0.400 1 1905 167 167 GLY H H 9.558 0.020 1 1906 167 167 GLY HA2 H 3.852 0.020 2 1907 167 167 GLY HA3 H 3.621 0.020 2 1908 167 167 GLY C C 174.548 0.400 1 1909 167 167 GLY CA C 45.963 0.400 1 1910 167 167 GLY N N 115.651 0.400 1 1911 168 168 VAL H H 8.238 0.020 1 1912 168 168 VAL HA H 4.551 0.020 1 1913 168 168 VAL HB H 2.396 0.020 1 1914 168 168 VAL HG1 H 0.663 0.020 2 1915 168 168 VAL HG2 H 0.600 0.020 2 1916 168 168 VAL C C 176.322 0.400 1 1917 168 168 VAL CA C 59.631 0.400 1 1918 168 168 VAL CB C 32.066 0.400 1 1919 168 168 VAL CG1 C 20.835 0.400 1 1920 168 168 VAL CG2 C 18.919 0.400 1 1921 168 168 VAL N N 111.068 0.400 1 1922 169 169 GLY H H 8.892 0.020 1 1923 169 169 GLY HA2 H 3.885 0.020 2 1924 169 169 GLY HA3 H 3.732 0.020 2 1925 169 169 GLY C C 176.185 0.400 1 1926 169 169 GLY CA C 46.331 0.400 1 1927 169 169 GLY N N 113.620 0.400 1 1928 170 170 LYS H H 9.498 0.020 1 1929 170 170 LYS HA H 3.888 0.020 1 1930 170 170 LYS HB2 H 1.682 0.020 2 1931 170 170 LYS HB3 H 1.556 0.020 2 1932 170 170 LYS HG2 H 1.459 0.020 2 1933 170 170 LYS HG3 H 1.310 0.020 2 1934 170 170 LYS HD2 H 1.529 0.020 2 1935 170 170 LYS HD3 H 1.529 0.020 2 1936 170 170 LYS HE2 H 2.898 0.020 2 1937 170 170 LYS HE3 H 2.801 0.020 2 1938 170 170 LYS C C 176.131 0.400 1 1939 170 170 LYS CA C 56.360 0.400 1 1940 170 170 LYS CB C 31.677 0.400 1 1941 170 170 LYS CG C 24.898 0.400 1 1942 170 170 LYS CD C 27.707 0.400 1 1943 170 170 LYS N N 120.692 0.400 1 1944 171 171 VAL H H 6.433 0.020 1 1945 171 171 VAL HA H 3.935 0.020 1 1946 171 171 VAL HB H 1.253 0.020 1 1947 171 171 VAL HG1 H -1.091 0.020 2 1948 171 171 VAL HG2 H -0.166 0.020 2 1949 171 171 VAL C C 174.982 0.400 1 1950 171 171 VAL CA C 57.689 0.400 1 1951 171 171 VAL CB C 35.453 0.400 1 1952 171 171 VAL CG1 C 19.443 0.400 1 1953 171 171 VAL CG2 C 17.231 0.400 1 1954 171 171 VAL N N 107.471 0.400 1 1955 172 172 ILE H H 7.312 0.020 1 1956 172 172 ILE HA H 3.695 0.020 1 1957 172 172 ILE HB H 2.050 0.020 1 1958 172 172 ILE HG12 H 1.215 0.020 2 1959 172 172 ILE HG13 H 0.944 0.020 2 1960 172 172 ILE HG2 H 0.156 0.020 1 1961 172 172 ILE HD1 H 0.767 0.020 1 1962 172 172 ILE C C 176.660 0.400 1 1963 172 172 ILE CA C 61.816 0.400 1 1964 172 172 ILE CB C 38.245 0.400 1 1965 172 172 ILE CG2 C 17.765 0.400 1 1966 172 172 ILE CD1 C 15.316 0.400 1 1967 172 172 ILE N N 110.913 0.400 1 1968 173 173 ARG H H 8.447 0.020 1 1969 173 173 ARG HA H 3.851 0.020 1 1970 173 173 ARG HB2 H 1.509 0.020 2 1971 173 173 ARG HB3 H 1.158 0.020 2 1972 173 173 ARG HG2 H 0.761 0.020 2 1973 173 173 ARG HG3 H 0.328 0.020 2 1974 173 173 ARG HD2 H 2.515 0.020 2 1975 173 173 ARG HD3 H 1.657 0.020 2 1976 173 173 ARG HE H 6.809 0.020 1 1977 173 173 ARG C C 178.294 0.400 1 1978 173 173 ARG CA C 59.633 0.400 1 1979 173 173 ARG CB C 29.749 0.400 1 1980 173 173 ARG CG C 25.967 0.400 1 1981 173 173 ARG CD C 42.302 0.400 1 1982 173 173 ARG N N 124.545 0.400 1 1983 173 173 ARG NE N 85.179 0.400 1 1984 174 174 GLY H H 9.377 0.020 1 1985 174 174 GLY HA2 H 3.873 0.020 2 1986 174 174 GLY HA3 H 3.665 0.020 2 1987 174 174 GLY C C 173.074 0.400 1 1988 174 174 GLY CA C 47.834 0.400 1 1989 174 174 GLY N N 100.262 0.400 1 1990 175 175 TRP H H 6.878 0.020 1 1991 175 175 TRP HA H 4.104 0.020 1 1992 175 175 TRP HB2 H 2.892 0.020 2 1993 175 175 TRP HB3 H 2.393 0.020 2 1994 175 175 TRP HD1 H 6.666 0.020 1 1995 175 175 TRP HE1 H 6.820 0.020 1 1996 175 175 TRP HE3 H 6.565 0.020 1 1997 175 175 TRP HZ2 H 6.546 0.020 1 1998 175 175 TRP HZ3 H 6.404 0.020 1 1999 175 175 TRP HH2 H 5.600 0.020 1 2000 175 175 TRP C C 176.174 0.400 1 2001 175 175 TRP CA C 58.240 0.400 1 2002 175 175 TRP CB C 30.008 0.400 1 2003 175 175 TRP CD1 C 120.854 0.400 1 2004 175 175 TRP CE3 C 120.155 0.400 1 2005 175 175 TRP CZ2 C 111.511 0.400 1 2006 175 175 TRP CZ3 C 121.966 0.400 1 2007 175 175 TRP N N 118.828 0.400 1 2008 175 175 TRP NE1 N 118.500 0.400 1 2009 176 176 ASP H H 7.601 0.020 1 2010 176 176 ASP HA H 4.261 0.020 1 2011 176 176 ASP HB2 H 2.485 0.020 2 2012 176 176 ASP HB3 H 2.338 0.020 2 2013 176 176 ASP C C 178.111 0.400 1 2014 176 176 ASP CA C 57.304 0.400 1 2015 176 176 ASP CB C 41.724 0.400 1 2016 176 176 ASP N N 120.716 0.400 1 2017 177 177 GLU H H 8.117 0.020 1 2018 177 177 GLU HA H 3.916 0.020 1 2019 177 177 GLU HB2 H 2.206 0.020 2 2020 177 177 GLU HB3 H 1.667 0.020 2 2021 177 177 GLU HG2 H 2.003 0.020 2 2022 177 177 GLU HG3 H 2.003 0.020 2 2023 177 177 GLU C C 180.190 0.400 1 2024 177 177 GLU CA C 58.398 0.400 1 2025 177 177 GLU CB C 29.302 0.400 1 2026 177 177 GLU CG C 36.420 0.400 1 2027 177 177 GLU N N 110.928 0.400 1 2028 178 178 ALA H H 7.293 0.020 1 2029 178 178 ALA HA H 3.949 0.020 1 2030 178 178 ALA HB H 0.973 0.020 1 2031 178 178 ALA C C 182.410 0.400 1 2032 178 178 ALA CA C 54.808 0.400 1 2033 178 178 ALA CB C 20.433 0.400 1 2034 178 178 ALA N N 120.907 0.400 1 2035 179 179 LEU H H 8.094 0.020 1 2036 179 179 LEU HA H 3.913 0.020 1 2037 179 179 LEU HB2 H 2.061 0.020 2 2038 179 179 LEU HB3 H 1.099 0.020 2 2039 179 179 LEU HG H 1.809 0.020 1 2040 179 179 LEU HD1 H 0.873 0.020 2 2041 179 179 LEU HD2 H 0.931 0.020 2 2042 179 179 LEU C C 177.615 0.400 1 2043 179 179 LEU CA C 58.258 0.400 1 2044 179 179 LEU CB C 42.774 0.400 1 2045 179 179 LEU CG C 28.855 0.400 1 2046 179 179 LEU CD1 C 27.517 0.400 1 2047 179 179 LEU CD2 C 24.995 0.400 1 2048 179 179 LEU N N 119.695 0.400 1 2049 180 180 LEU H H 6.676 0.020 1 2050 180 180 LEU HA H 4.113 0.020 1 2051 180 180 LEU HB2 H 1.787 0.020 2 2052 180 180 LEU HB3 H 1.612 0.020 2 2053 180 180 LEU HG H 1.846 0.020 1 2054 180 180 LEU HD1 H 0.863 0.020 2 2055 180 180 LEU HD2 H 0.595 0.020 2 2056 180 180 LEU C C 177.841 0.400 1 2057 180 180 LEU CA C 56.519 0.400 1 2058 180 180 LEU CB C 41.096 0.400 1 2059 180 180 LEU CG C 26.553 0.400 1 2060 180 180 LEU CD1 C 25.866 0.400 1 2061 180 180 LEU CD2 C 22.944 0.400 1 2062 180 180 LEU N N 111.732 0.400 1 2063 181 181 THR H H 7.760 0.020 1 2064 181 181 THR HA H 4.506 0.020 1 2065 181 181 THR HB H 4.513 0.020 1 2066 181 181 THR HG2 H 1.264 0.020 1 2067 181 181 THR C C 174.619 0.400 1 2068 181 181 THR CA C 61.197 0.400 1 2069 181 181 THR CB C 70.937 0.400 1 2070 181 181 THR CG2 C 20.970 0.400 1 2071 181 181 THR N N 105.944 0.400 1 2072 182 182 MET H H 7.620 0.020 1 2073 182 182 MET HA H 4.535 0.020 1 2074 182 182 MET HB2 H 1.977 0.020 2 2075 182 182 MET HB3 H 1.977 0.020 2 2076 182 182 MET HG2 H 2.628 0.020 2 2077 182 182 MET HG3 H 2.583 0.020 2 2078 182 182 MET HE H 1.929 0.020 1 2079 182 182 MET C C 172.135 0.400 1 2080 182 182 MET CA C 55.663 0.400 1 2081 182 182 MET CB C 35.250 0.400 1 2082 182 182 MET CG C 31.136 0.400 1 2083 182 182 MET CE C 16.778 0.400 1 2084 182 182 MET N N 125.695 0.400 1 2085 183 183 SER H H 7.267 0.020 1 2086 183 183 SER HA H 4.593 0.020 1 2087 183 183 SER HB2 H 3.471 0.020 2 2088 183 183 SER HB3 H 2.400 0.020 2 2089 183 183 SER HG H 5.098 0.020 1 2090 183 183 SER C C 175.147 0.400 1 2091 183 183 SER CA C 54.900 0.400 1 2092 183 183 SER CB C 64.866 0.400 1 2093 183 183 SER N N 109.924 0.400 1 2094 184 184 LYS H H 7.941 0.020 1 2095 184 184 LYS HA H 3.332 0.020 1 2096 184 184 LYS HB2 H 2.192 0.020 2 2097 184 184 LYS HB3 H 1.348 0.020 2 2098 184 184 LYS HG2 H 1.188 0.020 2 2099 184 184 LYS HG3 H 1.026 0.020 2 2100 184 184 LYS HD2 H 1.751 0.020 2 2101 184 184 LYS HD3 H 1.594 0.020 2 2102 184 184 LYS HE2 H 2.954 0.020 2 2103 184 184 LYS HE3 H 2.954 0.020 2 2104 184 184 LYS C C 176.345 0.400 1 2105 184 184 LYS CA C 60.415 0.400 1 2106 184 184 LYS CB C 32.527 0.400 1 2107 184 184 LYS CG C 25.508 0.400 1 2108 184 184 LYS CD C 29.831 0.400 1 2109 184 184 LYS N N 120.643 0.400 1 2110 185 185 GLY H H 8.820 0.020 1 2111 185 185 GLY HA2 H 4.360 0.020 2 2112 185 185 GLY HA3 H 3.700 0.020 2 2113 185 185 GLY C C 173.993 0.400 1 2114 185 185 GLY CA C 44.637 0.400 1 2115 185 185 GLY N N 117.430 0.400 1 2116 186 186 GLU H H 8.598 0.020 1 2117 186 186 GLU HA H 4.209 0.020 1 2118 186 186 GLU HB2 H 2.287 0.020 2 2119 186 186 GLU HB3 H 2.088 0.020 2 2120 186 186 GLU HG2 H 2.653 0.020 2 2121 186 186 GLU HG3 H 2.653 0.020 2 2122 186 186 GLU C C 174.945 0.400 1 2123 186 186 GLU CA C 56.547 0.400 1 2124 186 186 GLU CB C 33.107 0.400 1 2125 186 186 GLU CG C 37.897 0.400 1 2126 186 186 GLU N N 123.477 0.400 1 2127 187 187 LYS H H 8.772 0.020 1 2128 187 187 LYS HA H 5.563 0.020 1 2129 187 187 LYS HB2 H 1.752 0.020 2 2130 187 187 LYS HB3 H 1.478 0.020 2 2131 187 187 LYS HG2 H 1.265 0.020 2 2132 187 187 LYS HG3 H 1.035 0.020 2 2133 187 187 LYS HD2 H 1.514 0.020 2 2134 187 187 LYS HD3 H 1.514 0.020 2 2135 187 187 LYS HE2 H 2.797 0.020 2 2136 187 187 LYS HE3 H 2.626 0.020 2 2137 187 187 LYS C C 175.073 0.400 1 2138 187 187 LYS CA C 54.291 0.400 1 2139 187 187 LYS CB C 36.400 0.400 1 2140 187 187 LYS CG C 25.817 0.400 1 2141 187 187 LYS CD C 29.826 0.400 1 2142 187 187 LYS CE C 41.733 0.400 1 2143 187 187 LYS N N 123.976 0.400 1 2144 188 188 ALA H H 9.490 0.020 1 2145 188 188 ALA HA H 5.207 0.020 1 2146 188 188 ALA HB H 1.420 0.020 1 2147 188 188 ALA C C 174.203 0.400 1 2148 188 188 ALA CA C 50.563 0.400 1 2149 188 188 ALA CB C 23.694 0.400 1 2150 188 188 ALA N N 129.036 0.400 1 2151 189 189 ARG H H 9.210 0.020 1 2152 189 189 ARG HA H 5.252 0.020 1 2153 189 189 ARG HB2 H 1.803 0.020 2 2154 189 189 ARG HB3 H 1.601 0.020 2 2155 189 189 ARG HG2 H 1.467 0.020 2 2156 189 189 ARG HG3 H 1.336 0.020 2 2157 189 189 ARG HD2 H 3.163 0.020 2 2158 189 189 ARG HD3 H 3.119 0.020 2 2159 189 189 ARG HE H 7.389 0.020 1 2160 189 189 ARG C C 175.216 0.400 1 2161 189 189 ARG CA C 54.720 0.400 1 2162 189 189 ARG CB C 32.326 0.400 1 2163 189 189 ARG CG C 28.681 0.400 1 2164 189 189 ARG CD C 43.161 0.400 1 2165 189 189 ARG N N 121.560 0.400 1 2166 189 189 ARG NE N 84.497 0.400 1 2167 190 190 LEU H H 9.994 0.020 1 2168 190 190 LEU HA H 5.544 0.020 1 2169 190 190 LEU HB2 H 1.919 0.020 2 2170 190 190 LEU HB3 H 1.183 0.020 2 2171 190 190 LEU HG H 1.576 0.020 1 2172 190 190 LEU HD1 H 0.499 0.020 2 2173 190 190 LEU HD2 H 0.708 0.020 2 2174 190 190 LEU C C 175.765 0.400 1 2175 190 190 LEU CA C 52.351 0.400 1 2176 190 190 LEU CB C 44.490 0.400 1 2177 190 190 LEU CG C 27.060 0.400 1 2178 190 190 LEU CD1 C 25.660 0.400 1 2179 190 190 LEU CD2 C 23.601 0.400 1 2180 190 190 LEU N N 128.226 0.400 1 2181 191 191 GLU H H 8.624 0.020 1 2182 191 191 GLU HA H 5.230 0.020 1 2183 191 191 GLU HB2 H 2.014 0.020 2 2184 191 191 GLU HB3 H 1.804 0.020 2 2185 191 191 GLU HG2 H 2.145 0.020 2 2186 191 191 GLU HG3 H 2.145 0.020 2 2187 191 191 GLU C C 176.734 0.400 1 2188 191 191 GLU CA C 55.457 0.400 1 2189 191 191 GLU CB C 30.795 0.400 1 2190 191 191 GLU CG C 36.046 0.400 1 2191 191 191 GLU N N 123.268 0.400 1 2192 192 192 ILE H H 9.620 0.020 1 2193 192 192 ILE HA H 4.475 0.020 1 2194 192 192 ILE HB H 1.757 0.020 1 2195 192 192 ILE HG2 H 1.212 0.020 1 2196 192 192 ILE HD1 H 0.768 0.020 1 2197 192 192 ILE C C 174.677 0.400 1 2198 192 192 ILE CA C 61.553 0.400 1 2199 192 192 ILE CB C 41.354 0.400 1 2200 192 192 ILE CG2 C 19.436 0.400 1 2201 192 192 ILE CD1 C 15.001 0.400 1 2202 192 192 ILE N N 126.296 0.400 1 2203 193 193 GLU H H 8.220 0.020 1 2204 193 193 GLU HA H 4.247 0.020 1 2205 193 193 GLU HB2 H 2.361 0.020 2 2206 193 193 GLU HB3 H 1.724 0.020 2 2207 193 193 GLU HG2 H 2.138 0.020 2 2208 193 193 GLU HG3 H 2.082 0.020 2 2209 193 193 GLU C C 175.496 0.400 1 2210 193 193 GLU CA C 55.412 0.400 1 2211 193 193 GLU CB C 28.348 0.400 1 2212 193 193 GLU CG C 35.851 0.400 1 2213 193 193 GLU N N 125.304 0.400 1 2214 194 194 PRO HA H 4.334 0.020 1 2215 194 194 PRO HB2 H 1.974 0.020 2 2216 194 194 PRO HB3 H 1.974 0.020 2 2217 194 194 PRO HG2 H 1.597 0.020 2 2218 194 194 PRO HG3 H 1.573 0.020 2 2219 194 194 PRO HD2 H 3.978 0.020 2 2220 194 194 PRO HD3 H 3.248 0.020 2 2221 194 194 PRO C C 180.007 0.400 1 2222 194 194 PRO CA C 65.025 0.400 1 2223 194 194 PRO CB C 30.746 0.400 1 2224 194 194 PRO CG C 27.457 0.400 1 2225 194 194 PRO CD C 49.802 0.400 1 2226 195 195 GLU H H 9.607 0.020 1 2227 195 195 GLU HA H 4.054 0.020 1 2228 195 195 GLU HB2 H 1.931 0.020 2 2229 195 195 GLU HB3 H 1.931 0.020 2 2230 195 195 GLU HG2 H 2.259 0.020 2 2231 195 195 GLU HG3 H 2.259 0.020 2 2232 195 195 GLU C C 177.968 0.400 1 2233 195 195 GLU CA C 59.866 0.400 1 2234 195 195 GLU CB C 28.912 0.400 1 2235 195 195 GLU CG C 36.845 0.400 1 2236 195 195 GLU N N 117.647 0.400 1 2237 196 196 TRP H H 7.949 0.020 1 2238 196 196 TRP HA H 4.991 0.020 1 2239 196 196 TRP HB2 H 3.409 0.020 2 2240 196 196 TRP HB3 H 2.797 0.020 2 2241 196 196 TRP HD1 H 6.917 0.020 1 2242 196 196 TRP HE1 H 10.454 0.020 1 2243 196 196 TRP HE3 H 7.215 0.020 1 2244 196 196 TRP HZ2 H 7.541 0.020 1 2245 196 196 TRP HZ3 H 6.891 0.020 1 2246 196 196 TRP HH2 H 7.344 0.020 1 2247 196 196 TRP C C 172.582 0.400 1 2248 196 196 TRP CA C 55.885 0.400 1 2249 196 196 TRP CB C 28.474 0.400 1 2250 196 196 TRP CZ2 C 115.994 0.400 1 2251 196 196 TRP N N 119.736 0.400 1 2252 196 196 TRP NE1 N 131.035 0.400 1 2253 197 197 ALA H H 7.932 0.020 1 2254 197 197 ALA HA H 4.426 0.020 1 2255 197 197 ALA HB H 1.403 0.020 1 2256 197 197 ALA C C 176.155 0.400 1 2257 197 197 ALA CA C 51.497 0.400 1 2258 197 197 ALA CB C 18.902 0.400 1 2259 197 197 ALA N N 124.616 0.400 1 2260 198 198 TYR H H 9.455 0.020 1 2261 198 198 TYR HA H 4.565 0.020 1 2262 198 198 TYR HB2 H 3.131 0.020 2 2263 198 198 TYR HB3 H 2.576 0.020 2 2264 198 198 TYR HD1 H 7.033 0.020 1 2265 198 198 TYR HD2 H 7.033 0.020 1 2266 198 198 TYR HE1 H 6.561 0.020 1 2267 198 198 TYR HE2 H 6.561 0.020 1 2268 198 198 TYR C C 176.813 0.400 1 2269 198 198 TYR CA C 59.082 0.400 1 2270 198 198 TYR CB C 37.695 0.400 1 2271 198 198 TYR CE1 C 118.474 0.400 1 2272 198 198 TYR N N 122.119 0.400 1 2273 199 199 GLY H H 8.408 0.020 1 2274 199 199 GLY HA2 H 3.953 0.020 2 2275 199 199 GLY HA3 H 3.577 0.020 2 2276 199 199 GLY C C 175.556 0.400 1 2277 199 199 GLY CA C 46.555 0.400 1 2278 199 199 GLY N N 108.005 0.400 1 2279 200 200 LYS H H 7.290 0.020 1 2280 200 200 LYS HA H 4.015 0.020 1 2281 200 200 LYS HB2 H 1.807 0.020 2 2282 200 200 LYS HB3 H 1.807 0.020 2 2283 200 200 LYS HG2 H 1.470 0.020 2 2284 200 200 LYS HG3 H 1.470 0.020 2 2285 200 200 LYS HD2 H 1.640 0.020 2 2286 200 200 LYS HD3 H 1.640 0.020 2 2287 200 200 LYS HE2 H 2.942 0.020 2 2288 200 200 LYS HE3 H 2.942 0.020 2 2289 200 200 LYS C C 177.195 0.400 1 2290 200 200 LYS CA C 58.382 0.400 1 2291 200 200 LYS CB C 32.887 0.400 1 2292 200 200 LYS CE C 41.760 0.400 1 2293 201 201 LYS H H 8.210 0.020 1 2294 201 201 LYS HA H 4.103 0.020 1 2295 201 201 LYS HB2 H 1.925 0.020 2 2296 201 201 LYS HB3 H 1.866 0.020 2 2297 201 201 LYS HG2 H 1.385 0.020 2 2298 201 201 LYS HG3 H 1.385 0.020 2 2299 201 201 LYS HD2 H 1.709 0.020 2 2300 201 201 LYS HD3 H 1.709 0.020 2 2301 201 201 LYS HE2 H 2.949 0.020 2 2302 201 201 LYS HE3 H 2.949 0.020 2 2303 201 201 LYS C C 179.232 0.400 1 2304 201 201 LYS CA C 57.796 0.400 1 2305 201 201 LYS CB C 33.131 0.400 1 2306 201 201 LYS CG C 25.088 0.400 1 2307 201 201 LYS CD C 28.972 0.400 1 2308 201 201 LYS CE C 41.799 0.400 1 2309 201 201 LYS N N 116.440 0.400 1 2310 202 202 GLY H H 7.081 0.020 1 2311 202 202 GLY HA2 H 3.557 0.020 2 2312 202 202 GLY HA3 H 3.376 0.020 2 2313 202 202 GLY C C 171.687 0.400 1 2314 202 202 GLY CA C 44.576 0.400 1 2315 202 202 GLY N N 103.052 0.400 1 2316 203 203 GLN H H 8.301 0.020 1 2317 203 203 GLN HA H 4.518 0.020 1 2318 203 203 GLN HB2 H 1.639 0.020 2 2319 203 203 GLN HB3 H 0.727 0.020 2 2320 203 203 GLN HG2 H 1.917 0.020 2 2321 203 203 GLN HG3 H 1.735 0.020 2 2322 203 203 GLN HE21 H 7.301 0.020 2 2323 203 203 GLN HE22 H 6.772 0.020 2 2324 203 203 GLN C C 174.084 0.400 1 2325 203 203 GLN CA C 53.645 0.400 1 2326 203 203 GLN CB C 29.992 0.400 1 2327 203 203 GLN CG C 34.361 0.400 1 2328 203 203 GLN N N 119.871 0.400 1 2329 203 203 GLN NE2 N 112.397 0.400 1 2330 204 204 PRO HA H 4.094 0.020 1 2331 204 204 PRO HB2 H 2.263 0.020 2 2332 204 204 PRO HB3 H 1.904 0.020 2 2333 204 204 PRO HG2 H 1.981 0.020 2 2334 204 204 PRO HG3 H 1.955 0.020 2 2335 204 204 PRO HD2 H 3.679 0.020 2 2336 204 204 PRO HD3 H 3.377 0.020 2 2337 204 204 PRO C C 179.447 0.400 1 2338 204 204 PRO CA C 65.394 0.400 1 2339 204 204 PRO CB C 32.072 0.400 1 2340 204 204 PRO CG C 27.107 0.400 1 2341 204 204 PRO CD C 50.315 0.400 1 2342 205 205 ASP H H 8.384 0.020 1 2343 205 205 ASP HA H 4.338 0.020 1 2344 205 205 ASP HB2 H 2.615 0.020 2 2345 205 205 ASP HB3 H 2.615 0.020 2 2346 205 205 ASP C C 176.400 0.400 1 2347 205 205 ASP CA C 56.537 0.400 1 2348 205 205 ASP CB C 39.829 0.400 1 2349 205 205 ASP N N 118.217 0.400 1 2350 206 206 ALA H H 7.440 0.020 1 2351 206 206 ALA HA H 4.517 0.020 1 2352 206 206 ALA HB H 1.223 0.020 1 2353 206 206 ALA C C 175.169 0.400 1 2354 206 206 ALA CA C 51.027 0.400 1 2355 206 206 ALA CB C 19.438 0.400 1 2356 206 206 ALA N N 121.587 0.400 1 2357 207 207 LYS H H 7.566 0.020 1 2358 207 207 LYS HA H 3.599 0.020 1 2359 207 207 LYS HB2 H 2.100 0.020 2 2360 207 207 LYS HB3 H 1.818 0.020 2 2361 207 207 LYS HG2 H 1.272 0.020 2 2362 207 207 LYS HG3 H 1.252 0.020 2 2363 207 207 LYS HD2 H 1.607 0.020 2 2364 207 207 LYS HD3 H 1.607 0.020 2 2365 207 207 LYS HE2 H 2.942 0.020 2 2366 207 207 LYS HE3 H 2.942 0.020 2 2367 207 207 LYS C C 175.292 0.400 1 2368 207 207 LYS CA C 57.064 0.400 1 2369 207 207 LYS CB C 28.758 0.400 1 2370 207 207 LYS CG C 25.549 0.400 1 2371 207 207 LYS N N 111.498 0.400 1 2372 208 208 ILE H H 7.298 0.020 1 2373 208 208 ILE HA H 4.123 0.020 1 2374 208 208 ILE HB H 1.125 0.020 1 2375 208 208 ILE HG12 H 1.029 0.020 2 2376 208 208 ILE HG13 H -0.010 0.020 2 2377 208 208 ILE HG2 H 0.624 0.020 1 2378 208 208 ILE HD1 H -0.162 0.020 1 2379 208 208 ILE CA C 58.087 0.400 1 2380 208 208 ILE CB C 38.345 0.400 1 2381 208 208 ILE CG1 C 26.694 0.400 1 2382 208 208 ILE CG2 C 17.209 0.400 1 2383 208 208 ILE CD1 C 12.921 0.400 1 2384 208 208 ILE N N 118.906 0.400 1 2385 209 209 PRO HA H 4.633 0.020 1 2386 209 209 PRO HB2 H 2.265 0.020 2 2387 209 209 PRO HB3 H 1.873 0.020 2 2388 209 209 PRO HG2 H 1.906 0.020 2 2389 209 209 PRO HG3 H 1.815 0.020 2 2390 209 209 PRO HD2 H 4.061 0.020 2 2391 209 209 PRO HD3 H 3.321 0.020 2 2392 209 209 PRO CA C 62.097 0.400 1 2393 209 209 PRO CB C 31.060 0.400 1 2394 209 209 PRO CG C 26.352 0.400 1 2395 209 209 PRO CD C 51.677 0.400 1 2396 210 210 PRO HA H 3.677 0.020 1 2397 210 210 PRO HB2 H 2.479 0.020 2 2398 210 210 PRO HB3 H 1.601 0.020 2 2399 210 210 PRO HG2 H 1.981 0.020 2 2400 210 210 PRO HG3 H 1.694 0.020 2 2401 210 210 PRO HD2 H 3.661 0.020 2 2402 210 210 PRO HD3 H 3.399 0.020 2 2403 210 210 PRO C C 175.958 0.400 1 2404 210 210 PRO CA C 63.509 0.400 1 2405 210 210 PRO CB C 33.150 0.400 1 2406 210 210 PRO CG C 28.011 0.400 1 2407 210 210 PRO CD C 50.849 0.400 1 2408 211 211 ASN H H 8.183 0.020 1 2409 211 211 ASN HA H 3.864 0.020 1 2410 211 211 ASN HB2 H 2.838 0.020 2 2411 211 211 ASN HB3 H 2.729 0.020 2 2412 211 211 ASN HD21 H 7.546 0.020 2 2413 211 211 ASN HD22 H 6.794 0.020 2 2414 211 211 ASN C C 173.005 0.400 1 2415 211 211 ASN CA C 54.102 0.400 1 2416 211 211 ASN CB C 37.376 0.400 1 2417 211 211 ASN N N 117.411 0.400 1 2418 211 211 ASN ND2 N 114.431 0.400 1 2419 212 212 ALA H H 7.733 0.020 1 2420 212 212 ALA HA H 4.305 0.020 1 2421 212 212 ALA HB H 1.159 0.020 1 2422 212 212 ALA C C 176.131 0.400 1 2423 212 212 ALA CA C 52.288 0.400 1 2424 212 212 ALA CB C 20.175 0.400 1 2425 212 212 ALA N N 120.929 0.400 1 2426 213 213 LYS H H 8.411 0.020 1 2427 213 213 LYS HA H 4.531 0.020 1 2428 213 213 LYS HB2 H 1.705 0.020 2 2429 213 213 LYS HB3 H 1.705 0.020 2 2430 213 213 LYS HG2 H 1.318 0.020 2 2431 213 213 LYS HG3 H 1.134 0.020 2 2432 213 213 LYS HD2 H 1.515 0.020 2 2433 213 213 LYS HD3 H 1.515 0.020 2 2434 213 213 LYS HE2 H 2.773 0.020 2 2435 213 213 LYS HE3 H 2.708 0.020 2 2436 213 213 LYS C C 176.744 0.400 1 2437 213 213 LYS CA C 56.176 0.400 1 2438 213 213 LYS CB C 32.961 0.400 1 2439 213 213 LYS CG C 24.700 0.400 1 2440 213 213 LYS CD C 29.521 0.400 1 2441 213 213 LYS CE C 41.736 0.400 1 2442 213 213 LYS N N 125.619 0.400 1 2443 214 214 LEU H H 8.417 0.020 1 2444 214 214 LEU HA H 4.995 0.020 1 2445 214 214 LEU HB2 H 1.747 0.020 2 2446 214 214 LEU HB3 H 1.509 0.020 2 2447 214 214 LEU HG H 1.764 0.020 1 2448 214 214 LEU HD1 H 1.143 0.020 2 2449 214 214 LEU HD2 H 0.650 0.020 2 2450 214 214 LEU C C 175.488 0.400 1 2451 214 214 LEU CA C 53.671 0.400 1 2452 214 214 LEU CB C 45.792 0.400 1 2453 214 214 LEU CG C 27.019 0.400 1 2454 214 214 LEU CD1 C 27.192 0.400 1 2455 214 214 LEU CD2 C 23.364 0.400 1 2456 214 214 LEU N N 125.729 0.400 1 2457 215 215 THR H H 8.594 0.020 1 2458 215 215 THR HA H 5.495 0.020 1 2459 215 215 THR HB H 3.957 0.020 1 2460 215 215 THR HG2 H 1.047 0.020 1 2461 215 215 THR C C 173.625 0.400 1 2462 215 215 THR CA C 61.211 0.400 1 2463 215 215 THR CB C 69.805 0.400 1 2464 215 215 THR CG2 C 21.288 0.400 1 2465 215 215 THR N N 119.245 0.400 1 2466 216 216 PHE H H 9.653 0.020 1 2467 216 216 PHE HA H 5.645 0.020 1 2468 216 216 PHE HB2 H 2.517 0.020 2 2469 216 216 PHE HB3 H 2.478 0.020 2 2470 216 216 PHE HD1 H 6.771 0.020 1 2471 216 216 PHE HD2 H 6.771 0.020 1 2472 216 216 PHE HE1 H 7.109 0.020 1 2473 216 216 PHE HE2 H 7.109 0.020 1 2474 216 216 PHE HZ H 7.546 0.020 1 2475 216 216 PHE C C 175.641 0.400 1 2476 216 216 PHE CA C 55.974 0.400 1 2477 216 216 PHE CB C 44.249 0.400 1 2478 216 216 PHE CD1 C 130.579 0.400 1 2479 216 216 PHE CE1 C 132.332 0.400 1 2480 216 216 PHE N N 123.887 0.400 1 2481 217 217 GLU H H 8.823 0.020 1 2482 217 217 GLU HA H 5.223 0.020 1 2483 217 217 GLU HB2 H 1.883 0.020 2 2484 217 217 GLU HB3 H 1.773 0.020 2 2485 217 217 GLU HG2 H 2.209 0.020 2 2486 217 217 GLU HG3 H 1.896 0.020 2 2487 217 217 GLU C C 175.874 0.400 1 2488 217 217 GLU CA C 55.894 0.400 1 2489 217 217 GLU CB C 31.563 0.400 1 2490 217 217 GLU CG C 37.131 0.400 1 2491 217 217 GLU N N 122.640 0.400 1 2492 218 218 VAL H H 9.035 0.020 1 2493 218 218 VAL HA H 4.956 0.020 1 2494 218 218 VAL HB H 1.625 0.020 1 2495 218 218 VAL HG1 H 0.735 0.020 2 2496 218 218 VAL HG2 H 0.416 0.020 2 2497 218 218 VAL C C 172.981 0.400 1 2498 218 218 VAL CA C 60.467 0.400 1 2499 218 218 VAL CB C 35.976 0.400 1 2500 218 218 VAL CG1 C 21.146 0.400 1 2501 218 218 VAL CG2 C 20.950 0.400 1 2502 218 218 VAL N N 123.181 0.400 1 2503 219 219 GLU H H 9.305 0.020 1 2504 219 219 GLU HA H 5.432 0.020 1 2505 219 219 GLU HB2 H 2.226 0.020 2 2506 219 219 GLU HB3 H 1.779 0.020 2 2507 219 219 GLU HG2 H 1.967 0.020 2 2508 219 219 GLU HG3 H 1.863 0.020 2 2509 219 219 GLU C C 175.365 0.400 1 2510 219 219 GLU CA C 53.735 0.400 1 2511 219 219 GLU CB C 33.700 0.400 1 2512 219 219 GLU CG C 35.518 0.400 1 2513 219 219 GLU N N 128.408 0.400 1 2514 220 220 LEU H H 8.734 0.020 1 2515 220 220 LEU HA H 4.652 0.020 1 2516 220 220 LEU HB2 H 2.183 0.020 2 2517 220 220 LEU HB3 H 1.042 0.020 2 2518 220 220 LEU HG H 1.243 0.020 1 2519 220 220 LEU HD1 H 0.626 0.020 2 2520 220 220 LEU HD2 H 0.828 0.020 2 2521 220 220 LEU C C 174.412 0.400 1 2522 220 220 LEU CA C 53.917 0.400 1 2523 220 220 LEU CB C 41.663 0.400 1 2524 220 220 LEU CG C 28.395 0.400 1 2525 220 220 LEU CD1 C 26.523 0.400 1 2526 220 220 LEU CD2 C 24.259 0.400 1 2527 220 220 LEU N N 130.128 0.400 1 2528 221 221 VAL H H 8.783 0.020 1 2529 221 221 VAL HA H 3.961 0.020 1 2530 221 221 VAL HB H 1.684 0.020 1 2531 221 221 VAL HG1 H 0.668 0.020 2 2532 221 221 VAL HG2 H 0.829 0.020 2 2533 221 221 VAL C C 175.883 0.400 1 2534 221 221 VAL CA C 63.823 0.400 1 2535 221 221 VAL CB C 32.848 0.400 1 2536 221 221 VAL CG1 C 21.893 0.400 1 2537 221 221 VAL CG2 C 21.347 0.400 1 2538 221 221 VAL N N 126.393 0.400 1 2539 222 222 ASP H H 7.503 0.020 1 2540 222 222 ASP HA H 4.601 0.020 1 2541 222 222 ASP HB2 H 2.228 0.020 2 2542 222 222 ASP HB3 H 2.138 0.020 2 2543 222 222 ASP C C 173.042 0.400 1 2544 222 222 ASP CA C 52.806 0.400 1 2545 222 222 ASP CB C 43.973 0.400 1 2546 222 222 ASP N N 113.805 0.400 1 2547 223 223 ILE H H 8.738 0.020 1 2548 223 223 ILE HA H 4.606 0.020 1 2549 223 223 ILE HB H 1.451 0.020 1 2550 223 223 ILE HG12 H 1.230 0.020 2 2551 223 223 ILE HG13 H 1.044 0.020 2 2552 223 223 ILE HG2 H 0.824 0.020 1 2553 223 223 ILE HD1 H 0.506 0.020 1 2554 223 223 ILE C C 174.825 0.400 1 2555 223 223 ILE CA C 60.639 0.400 1 2556 223 223 ILE CB C 42.685 0.400 1 2557 223 223 ILE CG1 C 28.500 0.400 1 2558 223 223 ILE CG2 C 17.768 0.400 1 2559 223 223 ILE CD1 C 14.777 0.400 1 2560 223 223 ILE N N 120.485 0.400 1 2561 224 224 ASP H H 9.074 0.020 1 2562 224 224 ASP HA H 4.266 0.020 1 2563 224 224 ASP HB2 H 2.558 0.020 2 2564 224 224 ASP HB3 H 2.558 0.020 2 2565 224 224 ASP C C 181.246 0.400 1 2566 224 224 ASP CA C 56.911 0.400 1 2567 224 224 ASP CB C 41.559 0.400 1 2568 224 224 ASP N N 133.060 0.400 1 stop_ save_