data_17738 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a monomeric mutant of the HIV-1 capsid protein ; _BMRB_accession_number 17738 _BMRB_flat_file_name bmr17738.str _Entry_type original _Submission_date 2011-06-28 _Accession_date 2011-06-28 _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 Ronald S. . 2 Tzou Ywh-Min . . 3 Krishna 'N. Rama' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1204 "13C chemical shifts" 902 "15N chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 update BMRB 'update entry citation' 2011-10-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of a monomeric mutant of the HIV-1 capsid protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21995733 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shin Ronald . . 2 Tzou Ywh-Min . . 3 Krishna 'N. Rama' . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 50 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9457 _Page_last 9467 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 CA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HIV-1_CA $HIV-1_CA stop_ _System_molecular_weight 26609.50 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HIV-1_CA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV-1_CA _Molecular_mass 26609.50 _Mol_thiol_state 'all free' loop_ _Biological_function 'Formation of viral capsid' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; MPIVQNLQGQMVHQAISPRT LNAWVKVVEEKAFSPEVIPM FSALSEGATPQDLNTMLNTV GGHQAAMQMLKETINEEAAE WDRLHPVHAGPIAPGQMREP RGSDIAGTTSTLQEQIGWMT HNPPIPVGEIYKRWIILGLN KIVRMYSPTSILDIRQGPKE PFRDYVDRFYKTLRAEQASQ EVKNAATETLLVQNANPDCK TILKALGPGATLEEMMTACQ GVGGPGHKARVLVEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 PRO 3 2 ILE 4 3 VAL 5 4 GLN 6 5 ASN 7 6 LEU 8 7 GLN 9 8 GLY 10 9 GLN 11 10 MET 12 11 VAL 13 12 HIS 14 13 GLN 15 14 ALA 16 15 ILE 17 16 SER 18 17 PRO 19 18 ARG 20 19 THR 21 20 LEU 22 21 ASN 23 22 ALA 24 23 TRP 25 24 VAL 26 25 LYS 27 26 VAL 28 27 VAL 29 28 GLU 30 29 GLU 31 30 LYS 32 31 ALA 33 32 PHE 34 33 SER 35 34 PRO 36 35 GLU 37 36 VAL 38 37 ILE 39 38 PRO 40 39 MET 41 40 PHE 42 41 SER 43 42 ALA 44 43 LEU 45 44 SER 46 45 GLU 47 46 GLY 48 47 ALA 49 48 THR 50 49 PRO 51 50 GLN 52 51 ASP 53 52 LEU 54 53 ASN 55 54 THR 56 55 MET 57 56 LEU 58 57 ASN 59 58 THR 60 59 VAL 61 60 GLY 62 61 GLY 63 62 HIS 64 63 GLN 65 64 ALA 66 65 ALA 67 66 MET 68 67 GLN 69 68 MET 70 69 LEU 71 70 LYS 72 71 GLU 73 72 THR 74 73 ILE 75 74 ASN 76 75 GLU 77 76 GLU 78 77 ALA 79 78 ALA 80 79 GLU 81 80 TRP 82 81 ASP 83 82 ARG 84 83 LEU 85 84 HIS 86 85 PRO 87 86 VAL 88 87 HIS 89 88 ALA 90 89 GLY 91 90 PRO 92 91 ILE 93 92 ALA 94 93 PRO 95 94 GLY 96 95 GLN 97 96 MET 98 97 ARG 99 98 GLU 100 99 PRO 101 100 ARG 102 101 GLY 103 102 SER 104 103 ASP 105 104 ILE 106 105 ALA 107 106 GLY 108 107 THR 109 108 THR 110 109 SER 111 110 THR 112 111 LEU 113 112 GLN 114 113 GLU 115 114 GLN 116 115 ILE 117 116 GLY 118 117 TRP 119 118 MET 120 119 THR 121 120 HIS 122 121 ASN 123 122 PRO 124 123 PRO 125 124 ILE 126 125 PRO 127 126 VAL 128 127 GLY 129 128 GLU 130 129 ILE 131 130 TYR 132 131 LYS 133 132 ARG 134 133 TRP 135 134 ILE 136 135 ILE 137 136 LEU 138 137 GLY 139 138 LEU 140 139 ASN 141 140 LYS 142 141 ILE 143 142 VAL 144 143 ARG 145 144 MET 146 145 TYR 147 146 SER 148 147 PRO 149 148 THR 150 149 SER 151 150 ILE 152 151 LEU 153 152 ASP 154 153 ILE 155 154 ARG 156 155 GLN 157 156 GLY 158 157 PRO 159 158 LYS 160 159 GLU 161 160 PRO 162 161 PHE 163 162 ARG 164 163 ASP 165 164 TYR 166 165 VAL 167 166 ASP 168 167 ARG 169 168 PHE 170 169 TYR 171 170 LYS 172 171 THR 173 172 LEU 174 173 ARG 175 174 ALA 176 175 GLU 177 176 GLN 178 177 ALA 179 178 SER 180 179 GLN 181 180 GLU 182 181 VAL 183 182 LYS 184 183 ASN 185 184 ALA 186 185 ALA 187 186 THR 188 187 GLU 189 188 THR 190 189 LEU 191 190 LEU 192 191 VAL 193 192 GLN 194 193 ASN 195 194 ALA 196 195 ASN 197 196 PRO 198 197 ASP 199 198 CYS 200 199 LYS 201 200 THR 202 201 ILE 203 202 LEU 204 203 LYS 205 204 ALA 206 205 LEU 207 206 GLY 208 207 PRO 209 208 GLY 210 209 ALA 211 210 THR 212 211 LEU 213 212 GLU 214 213 GLU 215 214 MET 216 215 MET 217 216 THR 218 217 ALA 219 218 CYS 220 219 GLN 221 220 GLY 222 221 VAL 223 222 GLY 224 223 GLY 225 224 PRO 226 225 GLY 227 226 HIS 228 227 LYS 229 228 ALA 230 229 ARG 231 230 VAL 232 231 LEU 233 232 VAL 234 233 GLU 235 234 HIS 236 235 HIS 237 236 HIS 238 237 HIS 239 238 HIS 240 239 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 BMRB 19261 HIVcapsid 96.25 231 99.13 99.13 7.81e-167 BMRB 19264 entity 96.25 231 100.00 100.00 3.44e-169 BMRB 19575 HIV1_CA 96.25 231 99.13 99.13 7.81e-167 BMRB 25532 Gag 97.08 432 97.00 98.28 5.65e-164 PDB 1AFV "Hiv-1 Capsid Protein (P24) Complex With Fab25.3" 62.92 151 100.00 100.00 2.33e-104 PDB 1AK4 "Human Cyclophilin A Bound To The Amino-Terminal Domain Of Hiv-1 Capsid" 60.42 145 100.00 100.00 5.83e-100 PDB 1E6J "Crystal Structure Of Hiv-1 Capsid Protein (p24) In Complex With Fab13b5" 87.50 210 97.62 98.57 8.61e-149 PDB 1GWP "Structure Of The N-terminal Domain Of The Mature Hiv-1 Capsid Protein" 62.92 151 100.00 100.00 2.33e-104 PDB 1L6N "Structure Of The N-Terminal 283-Residue Fragment Of The Hiv- 1 Gag Polyprotein" 62.92 289 100.00 100.00 1.21e-103 PDB 1M9C "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type Complex." 60.83 146 100.00 100.00 9.86e-101 PDB 1M9E "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a Complex" 60.83 146 99.32 99.32 1.43e-99 PDB 1M9F "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,A88m Complex" 60.83 146 98.63 98.63 7.32e-99 PDB 1M9X "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,A88m,G89a Complex" 60.83 146 97.95 97.95 3.60e-98 PDB 1M9Y "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,G89a Complex" 60.83 146 98.63 98.63 6.86e-99 PDB 1VU4 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VU5 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VU6 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VU7 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VU8 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VU9 "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUA "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUC "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUD "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUE "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUF "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUG "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUH "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUI "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUJ "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUK "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUL "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUM "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUN "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUO "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUP "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUQ "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUR "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUS "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUT "Atomic-level Structure Of The Entire Hiv-1 Capsid" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUU "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUV "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUW "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUX "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUY "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VUZ "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV0 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV1 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV2 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV3 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV4 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV5 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV6 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV7 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV8 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VV9 "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VVA "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VVB "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VVF "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VVG "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VVH "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 1VVI "Atomic-level Structure Of The Entire Hiv-1 Capsid (186 Hexamers + 12 Pentamers)" 96.25 231 98.27 98.27 1.93e-165 PDB 2GOL "Xray Structure Of Gag278" 60.83 146 100.00 100.00 9.86e-101 PDB 2JPR "Joint Refinement Of The Hiv-1 Ca-Ntd In Complex With The Assembly Inhibitor Cap-1" 60.00 145 100.00 100.00 9.93e-99 PDB 2LF4 "Structure Of A Monomeric Mutant Of The Hiv-1 Capsid Protein" 100.00 240 100.00 100.00 6.78e-177 PDB 2M8L "Hiv Capsid Dimer Structure" 92.08 221 99.10 99.10 4.58e-159 PDB 2M8N "Hiv-1 Capsid Monomer Structure" 92.08 221 99.10 99.10 4.58e-159 PDB 2M8P "The Structure Of The W184am185a Mutant Of The Hiv-1 Capsid Protein" 92.08 221 100.00 100.00 3.09e-161 PDB 2PWM "Crystal Structure Of Hiv-1 Ca146 A92e Real Cell" 60.83 146 99.32 99.32 6.80e-100 PDB 2PWO "Crystal Structure Of Hiv-1 Ca146 A92e Psuedo Cell" 60.83 146 99.32 99.32 6.80e-100 PDB 2PXR "Crystal Structure Of Hiv-1 Ca146 In The Presence Of Cap-1" 60.83 146 100.00 100.00 9.86e-101 PDB 2X2D "Acetyl-Cypa:hiv-1 N-Term Capsid Domain Complex" 61.25 147 100.00 100.00 1.43e-101 PDB 2X83 "Evolutionary Basis Of Hiv Restriction By The Antiretroviral Trimcyp" 60.83 146 100.00 100.00 9.86e-101 PDB 3DIK "Pseudo-Atomic Model Of The Hiv-1 Ca Hexameric Lattice" 91.25 219 99.09 99.09 1.61e-157 PDB 3GV2 "X-Ray Structure Of Hexameric Hiv-1 Ca" 92.92 342 100.00 100.00 3.92e-162 PDB 3H47 "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.25 231 99.13 99.13 3.55e-167 PDB 3H4E "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.25 231 99.13 99.13 3.55e-167 PDB 3J34 "Structure Of Hiv-1 Capsid Protein By Cryo-em" 96.25 231 98.27 98.27 1.93e-165 PDB 3J4F "Structure Of Hiv-1 Capsid Protein By Cryo-em" 96.25 231 98.27 98.27 1.93e-165 PDB 3MGE "X-Ray Structure Of Hexameric Hiv-1 Ca" 96.25 231 99.13 99.13 1.69e-167 PDB 3NTE "Crystal Structure Of The Wild-type Full-length Hiv-1 Capsid Protein" 92.08 221 97.29 98.64 8.45e-157 PDB 3P05 "X-Ray Structure Of Pentameric Hiv-1 Ca" 96.25 231 99.13 99.13 3.36e-167 PDB 3P0A "X-Ray Structure Of Pentameric Hiv-1 Ca" 96.25 231 98.70 98.70 5.72e-166 PDB 4ARG "Structure Of The Immature Retroviral Capsid At 8a Resolution By Cryo-Electron Microscopy" 53.75 129 100.00 100.00 5.96e-88 PDB 4B4N "Cpsf6 Defines A Conserved Capsid Interface That Modulates Hiv-1 Replication" 60.83 146 100.00 100.00 9.86e-101 PDB 4D1K "Cryo-electron Microscopy Of Tubular Arrays Of Hiv-1 Gag Resolves Structures Essential For Immature Virus Assembly" 91.25 219 98.63 98.63 2.08e-156 PDB 4E91 "Crystal Structure Of The N-terminal Domain Of Hiv-1 Capsid In Complex With Inhibitor Bd3" 60.83 146 100.00 100.00 9.86e-101 PDB 4E92 "Crystal Structure Of The N-terminal Domain Of Hiv-1 Capsid In Complex With Inhibitor Bm4" 60.83 146 100.00 100.00 9.86e-101 PDB 4INB "Crystal Structure Of The N-terminal Domain Of Hiv-1 Capsid In Complex With Benzodiazepine Inhibitor" 60.83 146 100.00 100.00 9.86e-101 PDB 4J93 "Crystal Structure Of The N-terminal Domain Of Hiv-1 Capsid In Complex With Inhibitor Bi-1" 60.83 146 100.00 100.00 9.86e-101 PDB 4LQW "Crystal Structure Of Hiv-1 Capsid N-terminal Domain In Complex With Nup358 Cyclophilin" 60.83 146 100.00 100.00 9.86e-101 PDB 4NX4 "Re-refinement Of Cap-1 Hiv-ca Complex" 60.83 146 100.00 100.00 9.86e-101 PDB 4QNB "Disulfide Stabilized Hiv-1 Ca Hexamer In Complex With Phenyl-l- Phenylalaninamide Inhibitor" 96.25 231 99.13 99.13 3.55e-167 PDB 4U0A "Hexameric Hiv-1 Ca In Complex With Cpsf6 Peptide, P6 Crystal Form" 96.25 231 99.13 99.13 3.55e-167 PDB 4U0B "Hexamer Hiv-1 Ca In Complex With Cpsf6 Peptide, P212121 Crystal Form" 96.25 231 99.13 99.13 3.55e-167 PDB 4U0C "Hexameric Hiv-1 Ca In Complex With Nup153 Peptide, P6 Crystal Form" 96.25 231 99.13 99.13 3.55e-167 PDB 4U0D "Hexameric Hiv-1 Ca In Complex With Nup153 Peptide, P212121 Crystal Form" 96.25 231 99.13 99.13 3.55e-167 PDB 4U0E "Hexameric Hiv-1 Ca In Complex With Pf3450074" 96.25 231 99.13 99.13 3.55e-167 PDB 4U0F "Hexameric Hiv-1 Ca In Complex With Bi-2" 96.25 231 99.13 99.13 3.55e-167 PDB 4USN "The Structure Of The Immature Hiv-1 Capsid In Intact Virus Particles At Sub-nm Resolution" 87.50 210 98.57 98.57 1.95e-149 PDB 4WYM "Structural Basis Of Hiv-1 Capsid Recognition By Cpsf6" 96.25 231 99.13 99.13 3.55e-167 PDB 4XFX "Structure Of The Native Full-length Hiv-1 Capsid Protein" 96.25 231 99.13 99.13 7.81e-167 PDB 4XFY "Structure Of The Native Full-length Dehydrated Hiv-1 Capsid Protein" 96.25 231 99.13 99.13 7.81e-167 PDB 4XFZ "Structure Of The Native Full-length Hiv-1 Capsid Protein In Complex With Pf-3450074 (pf74)" 96.25 231 99.13 99.13 7.81e-167 PDB 4XRO "Disulfide Stabilized Hiv-1 Ca Hexamer 4mut (s41a, Q67h, V165i, L172i)" 96.25 231 97.40 98.70 5.95e-165 PDB 4XRQ "Disulfide Stabilized Hiv-1 Ca Hexamer 4mut (s41a, Q67h, V165i, L172i) In Complex With Pf-3450074" 96.25 231 97.40 98.70 5.95e-165 DBJ BAA00992 "gag polyprotein [Human immunodeficiency virus 1]" 97.08 500 97.85 98.28 2.79e-163 DBJ BAA12988 "Gag [Human immunodeficiency virus 1]" 97.08 512 97.00 98.28 4.60e-162 DBJ BAA12996 "Gag [Human immunodeficiency virus 1]" 97.08 512 97.00 98.28 7.27e-162 DBJ BAA93773 "gag protein [Human immunodeficiency virus 1]" 96.25 231 97.40 98.27 5.60e-164 DBJ BAA93775 "gag protein [Human immunodeficiency virus 1]" 96.25 231 96.97 97.84 5.51e-163 EMBL CAA11884 "p24 [Human immunodeficiency virus 1]" 79.58 191 97.91 98.95 8.03e-135 EMBL CAA25902 "gag precursor polypeptide [Human immunodeficiency virus 1]" 75.83 316 98.35 100.00 5.43e-128 EMBL CAA65355 "p24 protein [Human immunodeficiency virus 1]" 88.33 212 97.17 98.11 7.46e-148 EMBL CAA76038 "gag [Human immunodeficiency virus 1]" 61.67 174 98.65 100.00 7.76e-102 EMBL CAB85858 "P24 [Human immunodeficiency virus 1]" 93.75 225 98.22 98.67 3.20e-161 GB AAA44201 "gag polyprotein precursor [Human immunodeficiency virus 1]" 97.08 512 97.00 98.28 6.38e-162 GB AAA44652 "gag polyprotein precursor [Human immunodeficiency virus 1]" 97.08 512 97.00 98.28 6.52e-162 GB AAA44987 "gag polyprotein [Human immunodeficiency virus 1]" 97.08 500 98.71 98.71 9.23e-165 GB AAA45003 "gag protein, partial [Human immunodeficiency virus 1]" 97.08 491 97.00 98.28 1.89e-162 GB AAA76686 "gag [Human immunodeficiency virus 1]" 97.08 500 97.00 98.28 2.97e-162 PIR FOVWLV "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" 97.08 500 97.00 98.28 2.05e-162 PRF 1102247B "protein gag" 97.08 512 97.00 98.28 6.38e-162 PRF 1103299C "gag gene" 97.08 478 97.00 98.28 6.96e-163 REF NP_057849 "Gag-Pol [Human immunodeficiency virus 1]" 97.08 1435 97.00 98.28 2.29e-152 REF NP_057850 "Pr55(Gag) [Human immunodeficiency virus 1]" 97.08 500 97.00 98.28 2.94e-162 REF NP_579880 "capsid [Human immunodeficiency virus 1]" 96.25 231 97.40 98.70 1.01e-164 SP P03347 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 97.08 512 97.00 98.28 6.38e-162 SP P03348 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 97.08 512 97.00 98.28 4.60e-162 SP P03349 "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " 97.08 502 97.00 98.28 2.47e-162 SP P03366 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 97.08 1447 97.00 98.28 3.05e-152 SP P03367 "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " 97.08 1447 97.00 98.28 2.32e-152 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HIV-1_CA 'Human Immunodeficiency Virus' 12721 Viruses . Lentivirus HIV stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $HIV-1_CA 'recombinant technology' . Escherichia coli DE3 'Rosetta 2' PET20b-HIV1CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details '15N-labeled HIV-1 CA DM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_CA 2 mM '[U-98% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM '[U-99% 2H]' DTT 10 mM '[U-99% 2H]' 'sodium azide' 0.02 % 'natural abundance' 'AEBSF protease inhibitor' 0.1 mM 'natural abundance' EDTA 1 mM '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_-_15N_(H2O) _Saveframe_category sample _Sample_type solution _Details '13C / 15N-labeled HIV-1 CA DM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_CA 2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM '[U-99% 2H]' DTT 10 mM '[U-99% 2H]' 'sodium azide' 0.02 % 'natural abundance' 'AEBSF protease inhibitor' 0.1 mM 'natural abundance' EDTA 1 mM '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_-_15N_(D2O) _Saveframe_category sample _Sample_type solution _Details '13C / 15N-labeled HIV-1 CA DM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_CA 2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM '[U-99% 2H]' DTT 10 mM '[U-99% 2H]' 'sodium azide' 0.02 % 'natural abundance' 'AEBSF protease inhibitor' 0.1 mM 'natural abundance' EDTA 1 mM '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_13C_-_15N_-_2H_(H2O) _Saveframe_category sample _Sample_type solution _Details '13C / 15N / 2H-labeled HIV-1 CA DM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_CA 2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM '[U-99% 2H]' DTT 10 mM '[U-99% 2H]' 'sodium azide' 0.02 % 'natural abundance' 'AEBSF protease inhibitor' 0.1 mM 'natural abundance' EDTA 1 mM '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_-_15N_-_2H_(D2O) _Saveframe_category sample _Sample_type solution _Details '13C / 15N / 2H-labeled HIV-1 CA DM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_CA 2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM '[U-99% 2H]' DTT 10 mM '[U-99% 2H]' 'sodium azide' 0.02 % 'natural abundance' 'AEBSF protease inhibitor' 0.1 mM 'natural abundance' EDTA 1 mM '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_15N_(D2O) _Saveframe_category sample _Sample_type solution _Details '15N HIV-1 CA DM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_CA 2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium acetate' 25 mM '[U-99% 2H]' DTT 10 mM '[U-99% 2H]' 'sodium azide' 0.02 % 'natural abundance' 'AEBSF protease inhibitor' 0.1 mM 'natural abundance' EDTA 1 mM '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' 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 'data analysis' processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'AVANCE DRX spectrometer equipped with a TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-15N_SOFAST_HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N SOFAST HMQC' _Sample_label $15N_(D2O) save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_-_15N_(D2O) save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_-_15N_(H2O) save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_-_15N_(H2O) save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_-_15N_(H2O) save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_-_15N_-_2H_(H2O) save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_-_15N_(D2O) save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_-_15N_-_2H_(D2O) save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C_-_15N_(D2O) save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C_-_15N_-_2H_(D2O) save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C_-_15N_(D2O) save_ ####################### # Sample conditions # ####################### save_Sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $15N $13C_-_15N_(D2O) $13C_-_15N_(H2O) $13C_-_15N_-_2H_(H2O) $13C_-_15N_-_2H_(D2O) stop_ _Sample_conditions_label $Sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HIV-1_CA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 2 PRO HA H 4.501 0.000 1 2 1 2 PRO HB2 H 1.862 0.000 2 3 1 2 PRO HB3 H 2.247 0.004 2 4 1 2 PRO HG2 H 1.930 0.000 2 5 1 2 PRO HD2 H 3.654 0.000 2 6 1 2 PRO HD3 H 3.557 0.001 2 7 1 2 PRO C C 171.754 0.000 1 8 1 2 PRO CA C 62.489 0.000 1 9 1 2 PRO CB C 32.607 0.594 1 10 1 2 PRO CG C 27.929 0.000 1 11 1 2 PRO CD C 50.186 0.000 1 12 2 3 ILE H H 8.832 0.000 1 13 2 3 ILE HA H 4.387 0.000 1 14 2 3 ILE HB H 1.597 0.003 1 15 2 3 ILE HG12 H 1.245 0.000 2 16 2 3 ILE HG13 H 1.476 0.000 2 17 2 3 ILE HG2 H 0.789 0.000 . 18 2 3 ILE HD1 H 0.835 0.002 . 19 2 3 ILE C C 174.929 0.000 1 20 2 3 ILE CA C 59.560 0.000 1 21 2 3 ILE CB C 38.315 0.000 1 22 2 3 ILE CG1 C 26.504 0.223 1 23 2 3 ILE CG2 C 16.934 0.000 1 24 2 3 ILE CD1 C 11.955 0.000 1 25 2 3 ILE N N 121.989 0.000 1 26 3 4 VAL H H 8.918 0.004 1 27 3 4 VAL HA H 4.064 0.000 1 28 3 4 VAL HB H 1.961 0.000 1 29 3 4 VAL HG1 H 0.931 0.002 . 30 3 4 VAL HG2 H 0.835 0.006 . 31 3 4 VAL C C 173.385 0.000 1 32 3 4 VAL CA C 61.317 0.000 1 33 3 4 VAL CB C 32.457 0.000 1 34 3 4 VAL CG1 C 21.485 0.000 2 35 3 4 VAL CG2 C 21.485 0.000 2 36 3 4 VAL N N 123.864 0.000 1 37 4 5 GLN H H 8.308 0.000 1 38 4 5 GLN HA H 4.505 0.000 1 39 4 5 GLN HB2 H 2.016 0.001 2 40 4 5 GLN HB3 H 1.916 0.000 2 41 4 5 GLN HG2 H 2.350 0.008 2 42 4 5 GLN C C 176.740 0.000 1 43 4 5 GLN CA C 55.302 0.000 1 44 4 5 GLN CB C 30.993 0.000 1 45 4 5 GLN CG C 33.629 0.000 1 46 4 5 GLN N N 121.989 0.000 1 47 5 6 ASN H H 8.909 0.001 1 48 5 6 ASN HA H 4.695 0.005 1 49 5 6 ASN HB2 H 2.794 0.005 2 50 5 6 ASN HB3 H 2.695 0.002 2 51 5 6 ASN HD22 H 6.912 0.009 2 52 5 6 ASN C C 174.036 0.000 1 53 5 6 ASN CA C 54.288 0.000 1 54 5 6 ASN CB C 38.901 0.000 1 55 5 6 ASN N N 124.877 0.000 1 56 6 7 LEU H H 8.160 0.006 1 57 6 7 LEU HA H 4.089 0.008 1 58 6 7 LEU HB2 H 1.595 0.005 2 59 6 7 LEU HB3 H 1.548 0.007 2 60 6 7 LEU HG H 1.663 0.000 1 61 6 7 LEU HD1 H 0.912 0.000 . 62 6 7 LEU HD2 H 0.763 0.000 . 63 6 7 LEU C C 178.005 0.000 1 64 6 7 LEU CA C 56.045 0.000 1 65 6 7 LEU CB C 42.122 0.000 1 66 6 7 LEU CG C 26.171 0.000 1 67 6 7 LEU CD1 C 22.240 0.378 2 68 6 7 LEU CD2 C 23.828 0.000 2 69 6 7 LEU N N 119.252 0.000 1 70 7 8 GLN H H 7.486 0.000 1 71 7 8 GLN HA H 4.318 0.000 1 72 7 8 GLN HB2 H 1.959 0.000 2 73 7 8 GLN HB3 H 1.859 0.000 2 74 7 8 GLN HG2 H 2.324 0.000 2 75 7 8 GLN HG3 H 2.191 0.000 2 76 7 8 GLN C C 176.045 0.000 1 77 7 8 GLN CA C 54.874 0.000 1 78 7 8 GLN CB C 29.659 0.000 1 79 7 8 GLN CG C 33.719 0.000 1 80 7 8 GLN N N 115.736 0.000 1 81 8 9 GLY H H 8.025 0.005 1 82 8 9 GLY HA2 H 3.897 0.000 2 83 8 9 GLY HA3 H 3.570 0.000 2 84 8 9 GLY C C 174.160 0.000 1 85 8 9 GLY CA C 44.916 0.000 1 86 8 9 GLY N N 108.002 0.000 1 87 9 10 GLN H H 8.130 0.002 1 88 9 10 GLN HA H 4.218 0.000 1 89 9 10 GLN HB2 H 2.024 0.000 2 90 9 10 GLN HB3 H 1.881 0.000 2 91 9 10 GLN HG2 H 2.362 0.000 2 92 9 10 GLN HG3 H 2.258 0.000 2 93 9 10 GLN C C 175.847 0.000 1 94 9 10 GLN CA C 55.269 0.000 1 95 9 10 GLN CB C 28.514 0.000 1 96 9 10 GLN CG C 33.719 0.000 1 97 9 10 GLN N N 119.955 0.000 1 98 10 11 MET H H 8.321 0.000 1 99 10 11 MET HA H 4.586 0.003 1 100 10 11 MET HB2 H 1.825 0.000 2 101 10 11 MET HB3 H 1.730 0.006 2 102 10 11 MET HG2 H 2.324 0.000 2 103 10 11 MET HG3 H 2.178 0.000 2 104 10 11 MET HE H 1.904 0.007 . 105 10 11 MET C C 174.086 0.000 1 106 10 11 MET CA C 54.957 0.000 1 107 10 11 MET CB C 31.443 0.000 1 108 10 11 MET N N 121.713 0.000 1 109 11 12 VAL H H 8.824 0.001 1 110 11 12 VAL HA H 3.999 0.000 1 111 11 12 VAL HB H 1.959 0.000 1 112 11 12 VAL HG1 H 0.839 0.000 . 113 11 12 VAL HG2 H 0.750 0.009 . 114 11 12 VAL C C 174.259 0.000 1 115 11 12 VAL CA C 62.489 0.000 1 116 11 12 VAL CB C 32.158 0.000 1 117 11 12 VAL CG1 C 20.449 0.000 2 118 11 12 VAL CG2 C 20.449 0.000 2 119 11 12 VAL N N 120.225 1.091 1 120 12 13 HIS H H 8.695 0.000 1 121 12 13 HIS HA H 4.584 0.000 1 122 12 13 HIS HB2 H 3.131 0.002 2 123 12 13 HIS HB3 H 2.839 0.002 2 124 12 13 HIS HD1 H 7.081 0.000 1 125 12 13 HIS HD2 H 8.104 0.000 1 126 12 13 HIS C C 174.259 0.000 1 127 12 13 HIS CA C 54.716 0.000 1 128 12 13 HIS CB C 29.235 0.000 1 129 12 13 HIS N N 121.364 0.000 1 130 13 14 GLN H H 7.904 0.000 1 131 13 14 GLN HA H 4.252 0.000 1 132 13 14 GLN HB2 H 1.972 0.000 2 133 13 14 GLN HB3 H 1.795 0.117 2 134 13 14 GLN HG2 H 2.157 0.000 2 135 13 14 GLN HE22 H 6.617 0.000 2 136 13 14 GLN C C 173.589 0.000 1 137 13 14 GLN CA C 54.288 0.000 1 138 13 14 GLN CB C 31.221 0.000 1 139 13 14 GLN CG C 33.719 0.000 1 140 13 14 GLN N N 125.114 0.000 1 141 14 15 ALA H H 8.227 0.000 1 142 14 15 ALA HA H 4.368 0.000 1 143 14 15 ALA HB H 1.414 0.000 . 144 14 15 ALA C C 177.484 0.000 1 145 14 15 ALA CA C 53.116 0.000 1 146 14 15 ALA CB C 17.813 0.000 1 147 14 15 ALA N N 126.283 0.000 1 148 15 16 ILE H H 7.957 0.000 1 149 15 16 ILE HA H 4.136 0.000 1 150 15 16 ILE HB H 1.452 0.000 1 151 15 16 ILE HG12 H 1.648 0.002 2 152 15 16 ILE HG13 H 1.328 0.000 2 153 15 16 ILE HG2 H 0.846 0.000 . 154 15 16 ILE HD1 H 0.821 0.003 . 155 15 16 ILE C C 174.433 0.000 1 156 15 16 ILE CA C 60.146 0.000 1 157 15 16 ILE CB C 38.461 0.000 1 158 15 16 ILE CG1 C 27.454 0.652 1 159 15 16 ILE CG2 C 17.281 0.311 1 160 15 16 ILE CD1 C 14.006 0.000 1 161 15 16 ILE N N 122.416 0.000 1 162 16 17 SER H H 8.279 0.000 1 163 16 17 SER HA H 4.700 0.000 1 164 16 17 SER HB2 H 4.039 0.003 2 165 16 17 SER HB3 H 3.925 0.010 2 166 16 17 SER CA C 55.888 0.000 1 167 16 17 SER CB C 63.732 0.064 1 168 16 17 SER N N 124.174 0.000 1 169 17 18 PRO HA H 4.195 0.000 1 170 17 18 PRO HB2 H 1.977 0.000 2 171 17 18 PRO HB3 H 2.028 0.000 2 172 17 18 PRO HG2 H 2.161 0.000 2 173 17 18 PRO HG3 H 2.014 0.000 2 174 17 18 PRO HD2 H 3.952 0.000 2 175 17 18 PRO HD3 H 3.740 0.000 2 176 17 18 PRO C C 178.303 0.000 1 177 17 18 PRO CA C 64.841 0.000 1 178 17 18 PRO CB C 31.427 0.000 1 179 17 18 PRO CG C 27.910 0.000 1 180 17 18 PRO CD C 50.186 0.000 1 181 18 19 ARG H H 7.790 0.001 1 182 18 19 ARG HA H 4.060 0.000 1 183 18 19 ARG HB2 H 1.931 0.007 2 184 18 19 ARG HB3 H 1.875 0.001 2 185 18 19 ARG HG2 H 1.795 0.007 2 186 18 19 ARG HG3 H 1.737 0.002 2 187 18 19 ARG HD2 H 3.189 0.000 2 188 18 19 ARG HD3 H 3.089 0.000 2 189 18 19 ARG C C 179.369 0.000 1 190 18 19 ARG CA C 58.393 0.000 1 191 18 19 ARG CB C 28.357 0.000 1 192 18 19 ARG CG C 27.185 0.000 1 193 18 19 ARG CD C 43.294 0.000 1 194 18 19 ARG N N 116.439 0.000 1 195 19 20 THR H H 7.685 0.000 1 196 19 20 THR HA H 3.903 0.000 1 197 19 20 THR HB H 4.190 0.009 1 198 19 20 THR HG2 H 1.377 0.000 . 199 19 20 THR C C 176.715 0.000 1 200 19 20 THR CA C 64.246 0.000 1 201 19 20 THR CB C 68.944 0.000 1 202 19 20 THR CG2 C 21.485 0.000 1 203 19 20 THR N N 120.307 0.000 1 204 20 21 LEU H H 8.049 0.002 1 205 20 21 LEU HA H 3.986 0.000 1 206 20 21 LEU HB2 H 1.745 0.003 2 207 20 21 LEU HB3 H 1.618 0.004 2 208 20 21 LEU HG H 1.674 0.001 1 209 20 21 LEU HD1 H 0.846 0.000 . 210 20 21 LEU HD2 H 0.912 0.000 . 211 20 21 LEU C C 178.476 0.000 1 212 20 21 LEU CA C 58.388 0.000 1 213 20 21 LEU CB C 40.658 0.000 1 214 20 21 LEU CG C 26.892 0.000 1 215 20 21 LEU CD1 C 22.071 0.000 2 216 20 21 LEU CD2 C 24.256 0.000 2 217 20 21 LEU N N 120.658 0.000 1 218 21 22 ASN H H 8.511 0.000 1 219 21 22 ASN HA H 4.221 0.000 1 220 21 22 ASN HB2 H 2.806 0.003 2 221 21 22 ASN HB3 H 2.679 0.007 2 222 21 22 ASN C C 175.673 0.000 1 223 21 22 ASN CA C 55.595 0.000 1 224 21 22 ASN CB C 40.230 0.000 1 225 21 22 ASN N N 116.088 0.000 1 226 22 23 ALA H H 7.699 0.000 1 227 22 23 ALA HA H 4.134 0.000 1 228 22 23 ALA HB H 1.613 0.000 . 229 22 23 ALA C C 179.741 0.000 1 230 22 23 ALA CA C 55.459 0.000 1 231 22 23 ALA CB C 17.944 0.000 1 232 22 23 ALA N N 121.676 0.000 1 233 23 24 TRP H H 8.047 0.003 1 234 23 24 TRP HA H 4.656 0.001 1 235 23 24 TRP HB2 H 3.092 0.000 2 236 23 24 TRP HB3 H 3.155 0.000 2 237 23 24 TRP HD1 H 7.050 0.000 1 238 23 24 TRP HE1 H 8.686 0.000 1 239 23 24 TRP C C 175.748 0.000 1 240 23 24 TRP CA C 57.803 0.000 1 241 23 24 TRP CB C 29.821 0.000 1 242 23 24 TRP N N 120.427 0.000 1 243 24 25 VAL H H 8.458 0.000 1 244 24 25 VAL HA H 3.069 0.002 1 245 24 25 VAL HB H 2.047 0.000 1 246 24 25 VAL HG1 H 1.095 0.000 . 247 24 25 VAL HG2 H 0.885 0.002 . 248 24 25 VAL C C 178.055 0.000 1 249 24 25 VAL CA C 66.708 0.308 1 250 24 25 VAL CB C 32.615 0.000 1 251 24 25 VAL CG1 C 21.547 4.128 2 252 24 25 VAL CG2 C 21.035 0.000 2 253 24 25 VAL N N 118.864 0.000 1 254 25 26 LYS H H 7.628 0.001 1 255 25 26 LYS HA H 3.967 0.000 1 256 25 26 LYS HB2 H 1.920 0.006 2 257 25 26 LYS HB3 H 1.827 0.000 2 258 25 26 LYS HG2 H 1.487 0.007 2 259 25 26 LYS HG3 H 1.328 0.000 2 260 25 26 LYS HD2 H 1.785 0.005 2 261 25 26 LYS HD3 H 1.730 0.000 2 262 25 26 LYS HE2 H 2.789 0.024 2 263 25 26 LYS HE3 H 2.756 0.000 2 264 25 26 LYS C C 178.575 0.000 1 265 25 26 LYS CA C 59.110 0.000 1 266 25 26 LYS CB C 30.272 0.000 1 267 25 26 LYS CG C 25.000 0.000 1 268 25 26 LYS CD C 28.650 0.000 1 269 25 26 LYS CE C 42.122 0.000 1 270 25 26 LYS N N 115.739 0.000 1 271 26 27 VAL H H 7.537 0.002 1 272 26 27 VAL HA H 3.820 0.000 1 273 26 27 VAL HB H 2.042 0.000 1 274 26 27 VAL HG1 H 0.979 0.000 . 275 26 27 VAL HG2 H 0.849 0.002 . 276 26 27 VAL C C 177.236 0.000 1 277 26 27 VAL CA C 64.832 0.000 1 278 26 27 VAL CB C 30.841 0.000 1 279 26 27 VAL CG1 C 22.792 0.000 2 280 26 27 VAL CG2 C 21.913 0.000 2 281 26 27 VAL N N 118.900 0.000 1 282 27 28 VAL H H 7.298 0.000 1 283 27 28 VAL HA H 2.972 0.000 1 284 27 28 VAL HB H 1.399 0.000 1 285 27 28 VAL HG1 H 0.180 0.000 . 286 27 28 VAL HG2 H -0.428 0.000 . 287 27 28 VAL C C 179.196 0.000 1 288 27 28 VAL CA C 65.553 0.000 1 289 27 28 VAL CB C 30.254 0.000 1 290 27 28 VAL CG1 C 20.899 0.000 2 291 27 28 VAL CG2 C 21.621 0.000 2 292 27 28 VAL N N 119.604 0.000 1 293 28 29 GLU H H 8.147 0.000 1 294 28 29 GLU HA H 4.024 0.004 1 295 28 29 GLU HB2 H 2.119 0.006 2 296 28 29 GLU HB3 H 1.998 0.005 2 297 28 29 GLU HG2 H 2.422 0.000 2 298 28 29 GLU HG3 H 2.333 0.008 2 299 28 29 GLU C C 178.030 0.000 1 300 28 29 GLU CA C 58.974 0.000 1 301 28 29 GLU CB C 29.235 0.000 1 302 28 29 GLU CG C 34.944 0.000 1 303 28 29 GLU N N 119.829 0.113 1 304 29 30 GLU H H 7.864 0.001 1 305 29 30 GLU HA H 4.135 0.000 1 306 29 30 GLU HB2 H 2.053 0.001 2 307 29 30 GLU HB3 H 1.992 0.000 2 308 29 30 GLU HG2 H 2.447 0.001 2 309 29 30 GLU HG3 H 2.391 0.000 2 310 29 30 GLU C C 178.427 0.000 1 311 29 30 GLU CA C 57.645 0.000 1 312 29 30 GLU CB C 31.579 0.000 1 313 29 30 GLU CG C 35.972 0.000 1 314 29 30 GLU N N 116.088 0.000 1 315 30 31 LYS H H 8.473 0.000 1 316 30 31 LYS HA H 4.168 0.000 1 317 30 31 LYS HB2 H 1.631 0.000 2 318 30 31 LYS HB3 H 1.584 0.003 2 319 30 31 LYS HG2 H 1.310 0.001 2 320 30 31 LYS HG3 H 1.271 0.000 2 321 30 31 LYS HD2 H 1.546 0.001 2 322 30 31 LYS HD3 H 1.496 0.001 2 323 30 31 LYS HE2 H 3.060 0.000 2 324 30 31 LYS C C 176.566 0.000 1 325 30 31 LYS CA C 56.048 0.000 1 326 30 31 LYS CB C 31.871 0.000 1 327 30 31 LYS CG C 24.842 0.000 1 328 30 31 LYS CD C 28.064 0.000 1 329 30 31 LYS CE C 43.001 0.000 1 330 30 31 LYS N N 115.033 0.000 1 331 31 32 ALA H H 7.738 0.002 1 332 31 32 ALA HA H 3.836 0.000 1 333 31 32 ALA HB H 1.261 0.000 . 334 31 32 ALA C C 174.036 0.000 1 335 31 32 ALA CA C 50.773 0.000 1 336 31 32 ALA CB C 17.970 0.000 1 337 31 32 ALA N N 122.614 0.000 1 338 32 33 PHE H H 7.142 0.000 1 339 32 33 PHE HA H 4.503 0.000 1 340 32 33 PHE HB2 H 3.023 0.000 2 341 32 33 PHE HB3 H 2.932 0.014 2 342 32 33 PHE HD1 H 6.662 0.003 3 343 32 33 PHE HE2 H 7.187 0.000 3 344 32 33 PHE C C 174.507 0.000 1 345 32 33 PHE CA C 57.352 0.000 1 346 32 33 PHE CB C 37.875 0.000 1 347 32 33 PHE N N 113.865 0.000 1 348 33 34 SER H H 7.142 0.000 1 349 33 34 SER HA H 4.717 0.000 1 350 33 34 SER HB2 H 4.220 0.000 2 351 33 34 SER HB3 H 3.880 0.000 2 352 33 34 SER CA C 56.181 0.000 1 353 33 34 SER CB C 63.210 0.000 1 354 33 34 SER N N 114.177 0.000 1 355 34 35 PRO HA H 4.268 0.000 1 356 34 35 PRO HB3 H 1.959 0.000 2 357 34 35 PRO HG2 H 2.009 0.000 2 358 34 35 PRO HD2 H 3.936 0.000 2 359 34 35 PRO C C 176.765 0.000 1 360 34 35 PRO CA C 65.427 0.000 1 361 34 35 PRO CB C 31.427 0.000 1 362 34 35 PRO CG C 27.910 0.000 1 363 34 35 PRO CD C 49.599 0.000 1 364 35 36 GLU H H 8.257 0.000 1 365 35 36 GLU HA H 4.147 0.000 1 366 35 36 GLU HB2 H 2.055 0.000 2 367 35 36 GLU HB3 H 1.987 0.000 2 368 35 36 GLU HG2 H 2.418 0.000 2 369 35 36 GLU HG3 H 2.334 0.000 2 370 35 36 GLU C C 179.543 0.000 1 371 35 36 GLU CA C 59.110 0.000 1 372 35 36 GLU CB C 29.821 0.000 1 373 35 36 GLU CG C 36.116 0.000 1 374 35 36 GLU N N 116.435 0.017 1 375 36 37 VAL H H 8.243 0.001 1 376 36 37 VAL HA H 3.856 0.005 1 377 36 37 VAL HB H 2.225 0.000 1 378 36 37 VAL HG1 H 1.211 0.000 . 379 36 37 VAL HG2 H 1.078 0.000 . 380 36 37 VAL C C 178.699 0.000 1 381 36 37 VAL CA C 65.846 0.000 1 382 36 37 VAL CB C 31.286 0.000 1 383 36 37 VAL CG1 C 21.621 0.000 2 384 36 37 VAL N N 117.143 0.000 1 385 37 38 ILE H H 7.538 0.000 1 386 37 38 ILE HA H 3.965 0.000 1 387 37 38 ILE HB H 1.427 0.000 1 388 37 38 ILE HG2 H 0.907 0.000 . 389 37 38 ILE HD1 H 0.837 0.000 . 390 37 38 ILE CA C 66.003 0.000 1 391 37 38 ILE CB C 41.537 0.000 1 392 37 38 ILE CG2 C 16.799 0.000 1 393 37 38 ILE CD1 C 13.420 0.000 1 394 37 38 ILE N N 118.552 0.000 1 395 38 39 PRO HA H 4.446 0.001 1 396 38 39 PRO HB2 H 2.299 0.000 2 397 38 39 PRO HB3 H 1.941 0.000 2 398 38 39 PRO HG2 H 2.175 0.000 2 399 38 39 PRO HD2 H 4.102 0.000 2 400 38 39 PRO C C 180.064 0.000 1 401 38 39 PRO CA C 64.255 0.000 1 402 38 39 PRO CB C 30.254 0.000 1 403 38 39 PRO CG C 27.910 0.000 1 404 38 39 PRO CD C 49.599 0.000 1 405 39 40 MET H H 7.038 0.008 1 406 39 40 MET HA H 4.286 0.000 1 407 39 40 MET HB2 H 2.241 0.000 2 408 39 40 MET HB3 H 2.108 0.002 2 409 39 40 MET HG2 H 2.645 0.002 2 410 39 40 MET HG3 H 2.589 0.000 2 411 39 40 MET HE H 2.009 0.003 . 412 39 40 MET C C 175.624 0.000 1 413 39 40 MET CA C 58.979 0.000 1 414 39 40 MET CB C 32.013 0.000 1 415 39 40 MET CG C 32.273 0.282 1 416 39 40 MET CE C 16.772 0.000 1 417 39 40 MET N N 115.427 0.000 1 418 40 41 PHE H H 8.832 0.000 1 419 40 41 PHE HA H 4.404 0.000 1 420 40 41 PHE HB2 H 2.917 0.000 2 421 40 41 PHE HB3 H 3.131 0.000 2 422 40 41 PHE HD1 H 6.977 0.016 3 423 40 41 PHE C C 178.675 0.000 1 424 40 41 PHE CA C 61.910 0.000 1 425 40 41 PHE CB C 43.151 0.000 1 426 40 41 PHE N N 121.364 0.000 1 427 41 42 SER H H 8.314 0.002 1 428 41 42 SER HA H 3.806 0.005 1 429 41 42 SER HB2 H 3.425 0.000 2 430 41 42 SER HB3 H 3.328 0.000 2 431 41 42 SER C C 175.748 0.000 1 432 41 42 SER CA C 62.038 0.000 1 433 41 42 SER CB C 61.317 0.000 1 434 41 42 SER N N 113.865 0.000 1 435 42 43 ALA H H 7.705 0.000 1 436 42 43 ALA HA H 4.036 0.000 1 437 42 43 ALA HB H 1.494 0.000 . 438 42 43 ALA C C 180.386 0.000 1 439 42 43 ALA CA C 55.459 0.000 1 440 42 43 ALA CB C 17.520 0.000 1 441 42 43 ALA N N 121.676 0.000 1 442 43 44 LEU H H 7.791 0.004 1 443 43 44 LEU HA H 4.102 0.000 1 444 43 44 LEU HB2 H 1.710 0.000 2 445 43 44 LEU HB3 H 1.382 0.009 2 446 43 44 LEU HG H 1.926 0.000 1 447 43 44 LEU HD1 H 0.962 0.015 . 448 43 44 LEU HD2 H 0.896 0.002 . 449 43 44 LEU C C 176.393 0.000 1 450 43 44 LEU CA C 57.217 0.000 1 451 43 44 LEU CB C 41.829 0.000 1 452 43 44 LEU CG C 27.185 0.000 1 453 43 44 LEU CD1 C 22.499 0.000 2 454 43 44 LEU CD2 C 26.014 0.000 2 455 43 44 LEU N N 116.439 0.000 1 456 44 45 SER H H 7.054 0.000 1 457 44 45 SER HA H 3.986 0.000 1 458 44 45 SER HB2 H 3.461 0.000 2 459 44 45 SER C C 174.656 0.000 1 460 44 45 SER CA C 58.974 0.000 1 461 44 45 SER CB C 63.082 0.000 1 462 44 45 SER N N 108.865 0.000 1 463 45 46 GLU H H 7.027 0.004 1 464 45 46 GLU HA H 3.977 0.008 1 465 45 46 GLU HB2 H 1.904 0.005 2 466 45 46 GLU HB3 H 1.763 0.006 2 467 45 46 GLU HG2 H 2.236 0.005 2 468 45 46 GLU C C 178.079 0.000 1 469 45 46 GLU CA C 57.806 0.000 1 470 45 46 GLU CB C 28.496 0.000 1 471 45 46 GLU CG C 34.944 0.000 1 472 45 46 GLU N N 124.801 0.000 1 473 46 47 GLY H H 9.209 0.000 1 474 46 47 GLY HA2 H 3.886 0.000 2 475 46 47 GLY HA3 H 3.719 0.000 2 476 46 47 GLY C C 174.011 0.000 1 477 46 47 GLY CA C 45.344 0.000 1 478 46 47 GLY N N 114.559 0.238 1 479 47 48 ALA H H 7.377 0.000 1 480 47 48 ALA HA H 4.387 0.000 1 481 47 48 ALA HB H 1.338 0.000 . 482 47 48 ALA C C 178.055 0.000 1 483 47 48 ALA CA C 52.373 0.000 1 484 47 48 ALA CB C 18.556 0.000 1 485 47 48 ALA N N 119.177 0.000 1 486 48 49 THR H H 8.681 0.000 1 487 48 49 THR HA H 4.336 0.000 1 488 48 49 THR HB H 3.842 0.000 1 489 48 49 THR HG2 H 1.363 0.000 . 490 48 49 THR CA C 59.560 0.000 1 491 48 49 THR CB C 66.221 3.107 1 492 48 49 THR CG2 C 23.028 0.502 1 493 48 49 THR N N 109.408 0.000 1 494 49 50 PRO HD2 H 3.936 0.000 2 495 49 50 PRO C C 176.690 0.000 1 496 50 51 GLN H H 8.129 0.000 1 497 50 51 GLN HA H 4.214 0.000 1 498 50 51 GLN HB2 H 2.029 0.007 2 499 50 51 GLN HG2 H 2.368 0.008 2 500 50 51 GLN C C 178.749 0.000 1 501 50 51 GLN CA C 58.705 0.000 1 502 50 51 GLN CB C 28.410 0.000 1 503 50 51 GLN CG C 34.372 0.000 1 504 50 51 GLN N N 117.614 0.000 1 505 51 52 ASP H H 7.833 0.000 1 506 51 52 ASP HA H 4.308 0.002 1 507 51 52 ASP HB2 H 2.763 0.000 2 508 51 52 ASP HB3 H 2.632 0.007 2 509 51 52 ASP C C 178.203 0.000 1 510 51 52 ASP CA C 57.806 0.000 1 511 51 52 ASP CB C 42.573 0.000 1 512 51 52 ASP N N 119.604 0.000 1 513 52 53 LEU H H 8.414 0.002 1 514 52 53 LEU HA H 4.255 0.001 1 515 52 53 LEU HB2 H 1.771 0.000 2 516 52 53 LEU HB3 H 1.521 0.005 2 517 52 53 LEU HG H 1.268 0.007 1 518 52 53 LEU HD1 H 0.813 0.000 . 519 52 53 LEU HD2 H 0.710 0.005 . 520 52 53 LEU C C 178.898 0.000 1 521 52 53 LEU CA C 57.220 0.000 1 522 52 53 LEU CB C 41.987 0.000 1 523 52 53 LEU CG C 26.600 0.000 1 524 52 53 LEU CD1 C 23.964 0.000 2 525 52 53 LEU CD2 C 22.071 0.000 2 526 52 53 LEU N N 119.802 0.000 1 527 53 54 ASN H H 8.406 0.000 1 528 53 54 ASN HA H 4.650 0.000 1 529 53 54 ASN HB2 H 2.889 0.000 2 530 53 54 ASN HB3 H 2.781 0.008 2 531 53 54 ASN C C 178.030 0.000 1 532 53 54 ASN CA C 57.001 1.640 1 533 53 54 ASN CB C 37.143 0.000 1 534 53 54 ASN N N 117.846 0.000 1 535 54 55 THR H H 8.397 0.000 1 536 54 55 THR HA H 4.123 0.000 1 537 54 55 THR HB H 4.544 0.001 1 538 54 55 THR HG2 H 1.245 0.000 . 539 54 55 THR C C 178.055 0.000 1 540 54 55 THR CA C 66.825 0.000 1 541 54 55 THR CB C 68.387 0.000 1 542 54 55 THR CG2 C 21.485 0.000 1 543 54 55 THR N N 119.604 0.000 1 544 55 56 MET H H 8.320 0.001 1 545 55 56 MET HA H 4.042 0.000 1 546 55 56 MET HB2 H 1.924 0.002 2 547 55 56 MET HG2 H 2.368 0.008 2 548 55 56 MET HE H 0.980 0.000 . 549 55 56 MET CA C 60.146 0.000 1 550 55 56 MET CB C 32.599 0.000 1 551 55 56 MET CG C 32.013 0.000 1 552 55 56 MET CE C 16.185 0.000 1 553 55 56 MET N N 121.361 0.000 1 554 56 57 LEU H H 8.422 0.007 1 555 56 57 LEU HA H 4.403 0.001 1 556 56 57 LEU HB2 H 2.025 0.000 2 557 56 57 LEU HG H 1.996 0.008 1 558 56 57 LEU HD1 H 0.762 0.002 . 559 56 57 LEU HD2 H 0.831 0.000 . 560 56 57 LEU C C 178.948 0.000 1 561 56 57 LEU CA C 58.231 0.000 1 562 56 57 LEU CB C 41.244 0.000 1 563 56 57 LEU CG C 26.171 0.000 1 564 56 57 LEU CD1 C 21.621 0.000 2 565 56 57 LEU CD2 C 24.549 0.000 2 566 56 57 LEU N N 120.658 0.000 1 567 57 58 ASN H H 8.496 0.003 1 568 57 58 ASN HA H 4.567 0.000 1 569 57 58 ASN HB2 H 2.922 0.000 2 570 57 58 ASN HB3 H 2.869 0.002 2 571 57 58 ASN C C 176.814 0.000 1 572 57 58 ASN CA C 55.009 0.000 1 573 57 58 ASN CB C 38.022 0.000 1 574 57 58 ASN N N 115.427 0.000 1 575 58 59 THR H H 7.516 0.002 1 576 58 59 THR HA H 4.149 0.002 1 577 58 59 THR HB H 4.252 0.000 1 578 58 59 THR HG2 H 1.344 0.000 . 579 58 59 THR C C 174.358 0.000 1 580 58 59 THR CA C 64.381 0.000 1 581 58 59 THR CB C 68.775 0.000 1 582 58 59 THR CG2 C 22.499 0.000 1 583 58 59 THR N N 111.517 0.352 1 584 59 60 VAL H H 7.291 0.000 1 585 59 60 VAL HA H 3.893 0.002 1 586 59 60 VAL HB H 2.008 0.008 1 587 59 60 VAL HG1 H 0.948 0.000 . 588 59 60 VAL HG2 H 0.839 0.000 . 589 59 60 VAL C C 175.822 0.000 1 590 59 60 VAL CA C 62.624 0.000 1 591 59 60 VAL CB C 30.993 0.000 1 592 59 60 VAL CG1 C 21.461 0.000 2 593 59 60 VAL CG2 C 21.328 0.000 2 594 59 60 VAL N N 119.955 0.000 1 595 60 61 GLY H H 8.318 0.000 1 596 60 61 GLY HA2 H 4.264 0.004 2 597 60 61 GLY HA3 H 3.919 0.000 2 598 60 61 GLY CA C 44.910 0.000 1 599 60 61 GLY N N 114.330 0.000 1 600 61 62 GLY H H 8.290 0.005 1 601 61 62 GLY HA2 H 4.152 0.000 2 602 61 62 GLY HA3 H 3.820 0.000 2 603 61 62 GLY C C 174.706 0.000 1 604 61 62 GLY CA C 45.496 0.000 1 605 61 62 GLY N N 108.705 0.000 1 606 62 63 HIS H H 8.147 0.002 1 607 62 63 HIS HA H 4.636 0.003 1 608 62 63 HIS HB2 H 3.184 0.000 2 609 62 63 HIS HB3 H 3.072 0.000 2 610 62 63 HIS HD1 H 6.683 0.000 1 611 62 63 HIS C C 175.078 0.000 1 612 62 63 HIS CA C 55.302 0.000 1 613 62 63 HIS CB C 28.064 0.000 1 614 62 63 HIS N N 118.549 0.000 1 615 63 64 GLN H H 8.405 0.001 1 616 63 64 GLN HA H 4.184 0.000 1 617 63 64 GLN HB2 H 2.094 0.001 2 618 63 64 GLN HB3 H 2.009 0.000 2 619 63 64 GLN HG2 H 2.335 0.006 2 620 63 64 GLN HG3 H 2.241 0.000 2 621 63 64 GLN C C 178.352 0.000 1 622 63 64 GLN CA C 59.642 0.000 1 623 63 64 GLN CB C 28.098 0.000 1 624 63 64 GLN CG C 34.032 0.000 1 625 63 64 GLN N N 119.604 0.000 1 626 64 65 ALA H H 8.690 0.000 1 627 64 65 ALA HA H 4.097 0.003 1 628 64 65 ALA HB H 1.427 0.000 . 629 64 65 ALA C C 180.486 0.000 1 630 64 65 ALA CA C 54.716 0.000 1 631 64 65 ALA CB C 17.813 0.000 1 632 64 65 ALA N N 121.364 0.000 1 633 65 66 ALA H H 7.954 0.003 1 634 65 66 ALA HA H 3.938 0.000 1 635 65 66 ALA HB H 1.120 0.008 . 636 65 66 ALA C C 179.196 0.000 1 637 65 66 ALA CA C 54.288 0.000 1 638 65 66 ALA CB C 18.399 0.000 1 639 65 66 ALA N N 121.676 0.000 1 640 66 67 MET H H 8.238 0.000 1 641 66 67 MET HA H 4.277 0.000 1 642 66 67 MET HB2 H 2.188 0.003 2 643 66 67 MET HB3 H 1.970 0.001 2 644 66 67 MET HG2 H 2.848 0.000 2 645 66 67 MET HG3 H 2.665 0.000 2 646 66 67 MET HE H 2.076 0.006 . 647 66 67 MET C C 178.278 0.000 1 648 66 67 MET CA C 55.894 0.000 1 649 66 67 MET CB C 30.284 0.000 1 650 66 67 MET CG C 32.013 0.000 1 651 66 67 MET CE C 17.167 0.000 1 652 66 67 MET N N 116.791 0.000 1 653 67 68 GLN H H 8.395 0.000 1 654 67 68 GLN HA H 4.053 0.001 1 655 67 68 GLN HB2 H 2.100 0.001 2 656 67 68 GLN HB3 H 2.024 0.001 2 657 67 68 GLN HG2 H 2.406 0.001 2 658 67 68 GLN HG3 H 2.330 0.001 2 659 67 68 GLN C C 179.369 0.000 1 660 67 68 GLN CA C 58.705 0.000 1 661 67 68 GLN CB C 27.473 0.000 1 662 67 68 GLN CG C 33.407 0.000 1 663 67 68 GLN N N 119.955 0.000 1 664 68 69 MET H H 7.684 0.002 1 665 68 69 MET HA H 4.198 0.009 1 666 68 69 MET HB2 H 2.227 0.000 2 667 68 69 MET HG2 H 2.706 0.000 2 668 68 69 MET HE H 2.061 0.001 . 669 68 69 MET CA C 58.393 0.000 1 670 68 69 MET CB C 31.443 0.000 1 671 68 69 MET CG C 30.857 0.000 1 672 68 69 MET CE C 17.358 0.000 1 673 68 69 MET N N 119.955 0.000 1 674 69 70 LEU H H 8.385 0.005 1 675 69 70 LEU HA H 3.820 0.001 1 676 69 70 LEU HB2 H 1.693 0.000 2 677 69 70 LEU HB3 H 1.751 0.000 2 678 69 70 LEU HG H 1.601 0.000 1 679 69 70 LEU HD1 H 0.873 0.009 . 680 69 70 LEU HD2 H 0.850 0.000 . 681 69 70 LEU C C 178.303 0.000 1 682 69 70 LEU CA C 58.817 0.000 1 683 69 70 LEU CB C 41.244 0.000 1 684 69 70 LEU CG C 28.357 0.000 1 685 69 70 LEU CD1 C 25.721 0.000 2 686 69 70 LEU CD2 C 24.842 0.000 2 687 69 70 LEU N N 122.926 0.000 1 688 70 71 LYS H H 8.408 0.001 1 689 70 71 LYS HA H 3.968 0.002 1 690 70 71 LYS HB2 H 1.954 0.001 2 691 70 71 LYS HG2 H 1.427 0.001 2 692 70 71 LYS HG3 H 1.485 0.000 2 693 70 71 LYS HD2 H 1.627 0.000 2 694 70 71 LYS HE2 H 2.873 0.000 2 695 70 71 LYS C C 178.303 0.000 1 696 70 71 LYS CA C 59.402 0.000 1 697 70 71 LYS CB C 31.871 0.000 1 698 70 71 LYS CG C 25.135 0.000 1 699 70 71 LYS CE C 41.392 0.000 1 700 70 71 LYS N N 118.900 0.000 1 701 71 72 GLU H H 8.146 0.002 1 702 71 72 GLU HA H 4.075 0.001 1 703 71 72 GLU HB2 H 2.072 0.000 2 704 71 72 GLU HG2 H 2.340 0.008 2 705 71 72 GLU C C 179.344 0.000 1 706 71 72 GLU CA C 59.110 0.000 1 707 71 72 GLU CB C 28.357 0.000 1 708 71 72 GLU CG C 35.093 0.000 1 709 71 72 GLU N N 118.549 0.000 1 710 72 73 THR H H 7.792 0.000 1 711 72 73 THR HA H 4.019 0.000 1 712 72 73 THR HB H 4.318 0.000 1 713 72 73 THR HG2 H 1.318 0.001 . 714 72 73 THR C C 176.789 0.000 1 715 72 73 THR CA C 66.589 0.000 1 716 72 73 THR CB C 69.068 0.000 1 717 72 73 THR CG2 C 20.742 0.000 1 718 72 73 THR N N 117.494 0.000 1 719 73 74 ILE H H 8.314 0.000 1 720 73 74 ILE HA H 3.542 0.000 1 721 73 74 ILE HB H 2.025 0.000 1 722 73 74 ILE HG12 H 1.408 0.006 2 723 73 74 ILE HG13 H 1.776 0.000 2 724 73 74 ILE HG2 H 1.227 0.001 . 725 73 74 ILE HD1 H 1.171 0.001 . 726 73 74 ILE C C 176.938 0.000 1 727 73 74 ILE CA C 61.390 4.038 1 728 73 74 ILE CB C 37.143 0.000 1 729 73 74 ILE CG1 C 28.943 0.000 1 730 73 74 ILE CG2 C 18.556 0.000 1 731 73 74 ILE CD1 C 14.456 0.000 1 732 73 74 ILE N N 121.364 0.000 1 733 74 75 ASN H H 8.521 0.000 1 734 74 75 ASN HA H 4.052 0.000 1 735 74 75 ASN HB2 H 2.934 0.000 2 736 74 75 ASN HB3 H 2.790 0.000 2 737 74 75 ASN C C 178.253 0.000 1 738 74 75 ASN CA C 56.631 0.000 1 739 74 75 ASN CB C 37.802 0.073 1 740 74 75 ASN N N 115.739 0.000 1 741 75 76 GLU H H 7.860 0.001 1 742 75 76 GLU HA H 4.088 0.000 1 743 75 76 GLU HB2 H 2.118 0.000 2 744 75 76 GLU HB3 H 2.031 0.001 2 745 75 76 GLU HG2 H 2.337 0.001 2 746 75 76 GLU HG3 H 2.257 0.000 2 747 75 76 GLU C C 178.724 0.000 1 748 75 76 GLU CA C 59.110 0.000 1 749 75 76 GLU CB C 28.586 0.076 1 750 75 76 GLU CG C 35.093 0.000 1 751 75 76 GLU N N 121.972 0.067 1 752 76 77 GLU H H 8.291 0.002 1 753 76 77 GLU HA H 4.504 0.000 1 754 76 77 GLU HB2 H 2.226 0.001 2 755 76 77 GLU HG2 H 2.303 0.003 2 756 76 77 GLU C C 178.600 0.000 1 757 76 77 GLU CA C 57.806 0.000 1 758 76 77 GLU CB C 30.272 0.000 1 759 76 77 GLU CG C 34.358 0.000 1 760 76 77 GLU N N 121.051 0.000 1 761 77 78 ALA H H 8.253 0.000 1 762 77 78 ALA HA H 3.822 0.000 1 763 77 78 ALA HB H 1.161 0.000 . 764 77 78 ALA C C 178.724 0.000 1 765 77 78 ALA CA C 53.702 0.000 1 766 77 78 ALA CB C 16.799 0.000 1 767 77 78 ALA N N 122.614 0.000 1 768 78 79 ALA H H 7.579 0.143 1 769 78 79 ALA HA H 4.275 0.000 1 770 78 79 ALA HB H 1.427 0.000 . 771 78 79 ALA C C 180.585 0.000 1 772 78 79 ALA CA C 53.838 0.000 1 773 78 79 ALA CB C 18.556 0.000 1 774 78 79 ALA N N 118.900 0.000 1 775 79 80 GLU H H 7.879 0.000 1 776 79 80 GLU HA H 4.119 0.000 1 777 79 80 GLU HB2 H 2.088 0.001 2 778 79 80 GLU HB3 H 1.987 0.004 2 779 79 80 GLU HG2 H 2.351 0.000 2 780 79 80 GLU HG3 H 2.258 0.000 2 781 79 80 GLU C C 176.268 0.000 1 782 79 80 GLU CA C 58.524 0.000 1 783 79 80 GLU CB C 28.650 0.000 1 784 79 80 GLU CG C 34.800 0.000 1 785 79 80 GLU N N 122.416 0.000 1 786 80 81 TRP H H 8.279 0.001 1 787 80 81 TRP HA H 4.184 0.000 1 788 80 81 TRP HB2 H 3.138 0.000 2 789 80 81 TRP HB3 H 2.856 0.000 2 790 80 81 TRP HE1 H 11.873 0.000 1 791 80 81 TRP C C 179.517 0.000 1 792 80 81 TRP CA C 61.160 0.000 1 793 80 81 TRP N N 122.416 0.000 1 794 80 81 TRP NE1 N 116.989 0.000 1 795 81 82 ASP H H 8.140 0.001 1 796 81 82 ASP HA H 4.385 0.000 1 797 81 82 ASP HB2 H 2.723 0.000 2 798 81 82 ASP HB3 H 2.615 0.008 2 799 81 82 ASP C C 178.774 0.000 1 800 81 82 ASP CA C 57.059 0.000 1 801 81 82 ASP CB C 40.230 0.000 1 802 81 82 ASP N N 119.489 0.000 1 803 82 83 ARG H H 7.836 0.002 1 804 82 83 ARG HA H 3.986 0.000 1 805 82 83 ARG HB2 H 1.942 0.000 2 806 82 83 ARG HG2 H 1.776 0.000 2 807 82 83 ARG HG3 H 1.545 0.001 2 808 82 83 ARG HD2 H 2.868 0.004 2 809 82 83 ARG C C 178.005 0.000 1 810 82 83 ARG CA C 58.817 0.000 1 811 82 83 ARG CB C 30.407 0.000 1 812 82 83 ARG CG C 27.771 0.000 1 813 82 83 ARG CD C 43.001 0.000 1 814 82 83 ARG N N 119.252 0.000 1 815 83 84 LEU H H 7.548 0.000 1 816 83 84 LEU HA H 3.903 0.000 1 817 83 84 LEU HB2 H 1.394 0.000 2 818 83 84 LEU HB3 H 0.925 0.000 2 819 83 84 LEU HG H 1.560 0.000 1 820 83 84 LEU HD1 H 0.831 0.009 . 821 83 84 LEU HD2 H 0.711 0.008 . 822 83 84 LEU C C 175.723 0.000 1 823 83 84 LEU CA C 55.461 0.000 1 824 83 84 LEU CB C 42.122 0.000 1 825 83 84 LEU CG C 26.892 0.000 1 826 83 84 LEU CD1 C 22.206 0.000 2 827 83 84 LEU CD2 C 24.414 0.000 2 828 83 84 LEU N N 118.239 0.000 1 829 84 85 HIS H H 7.790 0.002 1 830 84 85 HIS HA H 4.717 0.000 1 831 84 85 HIS HB2 H 2.890 0.000 2 832 84 85 HIS HB3 H 2.829 0.000 2 833 84 85 HIS HD2 H 7.147 0.000 1 834 84 85 HIS HE1 H 8.206 0.000 1 835 84 85 HIS CA C 52.666 0.000 1 836 84 85 HIS CB C 26.737 0.000 1 837 84 85 HIS N N 117.143 0.000 1 838 85 86 PRO HA H 4.484 0.000 1 839 85 86 PRO HB2 H 1.748 0.000 2 840 85 86 PRO HB3 H 2.241 0.000 2 841 85 86 PRO HG2 H 2.033 0.000 2 842 85 86 PRO HD2 H 3.665 0.000 2 843 85 86 PRO HD3 H 3.598 0.000 2 844 85 86 PRO C C 177.385 0.000 1 845 85 86 PRO CA C 63.082 0.000 1 846 85 86 PRO CB C 31.427 0.000 1 847 85 86 PRO CG C 27.323 0.000 1 848 85 86 PRO CD C 49.600 0.001 1 849 86 87 VAL H H 8.153 0.000 1 850 86 87 VAL HA H 3.979 0.000 1 851 86 87 VAL HB H 1.924 0.006 1 852 86 87 VAL HG1 H 0.912 0.000 . 853 86 87 VAL HG2 H 0.796 0.000 . 854 86 87 VAL C C 176.194 0.000 1 855 86 87 VAL CA C 61.745 0.000 1 856 86 87 VAL CB C 32.164 0.000 1 857 86 87 VAL CG1 C 21.035 0.000 2 858 86 87 VAL CG2 C 21.035 0.000 2 859 86 87 VAL N N 120.114 0.000 1 860 87 88 HIS H H 8.904 0.000 1 861 87 88 HIS HA H 4.584 0.000 1 862 87 88 HIS HB2 H 3.238 0.000 2 863 87 88 HIS HB3 H 3.131 0.000 2 864 87 88 HIS HD1 H 7.173 0.000 1 865 87 88 HIS HD2 H 7.175 0.000 1 866 87 88 HIS C C 174.110 0.000 1 867 87 88 HIS CA C 55.009 0.000 1 868 87 88 HIS CB C 28.357 0.000 1 869 87 88 HIS N N 124.489 0.000 1 870 88 89 ALA H H 8.474 0.003 1 871 88 89 ALA HA H 4.302 0.007 1 872 88 89 ALA HB H 1.344 0.000 . 873 88 89 ALA C C 177.360 0.000 1 874 88 89 ALA CA C 51.202 0.000 1 875 88 89 ALA CB C 18.399 0.000 1 876 88 89 ALA N N 126.988 0.000 1 877 89 90 GLY H H 8.023 0.000 1 878 89 90 GLY HA2 H 4.360 0.000 2 879 89 90 GLY HA3 H 4.019 0.000 2 880 89 90 GLY CA C 44.323 0.000 1 881 89 90 GLY N N 108.584 0.122 1 882 90 91 PRO HA H 4.491 0.000 1 883 90 91 PRO HB2 H 1.859 0.000 2 884 90 91 PRO HB3 H 2.224 0.101 2 885 90 91 PRO HG2 H 2.018 0.002 2 886 90 91 PRO HD2 H 3.590 0.029 2 887 90 91 PRO C C 176.616 0.000 1 888 90 91 PRO CA C 62.917 0.000 1 889 90 91 PRO CB C 32.164 0.000 1 890 90 91 PRO CG C 26.892 0.000 1 891 90 91 PRO CD C 49.152 0.000 1 892 91 92 ILE H H 8.171 0.000 1 893 91 92 ILE HA H 4.163 0.000 1 894 91 92 ILE HB H 1.793 0.000 1 895 91 92 ILE HG12 H 1.270 0.008 2 896 91 92 ILE HG13 H 1.403 0.008 2 897 91 92 ILE HG2 H 0.838 0.007 . 898 91 92 ILE HD1 H 0.782 0.006 . 899 91 92 ILE C C 175.624 0.000 1 900 91 92 ILE CA C 59.402 0.000 1 901 91 92 ILE CB C 38.608 0.000 1 902 91 92 ILE CG1 C 26.892 0.000 1 903 91 92 ILE CG2 C 17.520 0.000 1 904 91 92 ILE CD1 C 12.541 0.000 1 905 91 92 ILE N N 121.361 0.000 1 906 92 93 ALA H H 8.306 0.000 1 907 92 93 ALA HA H 4.451 0.000 1 908 92 93 ALA HB H 1.255 0.000 . 909 92 93 ALA CA C 50.773 0.000 1 910 92 93 ALA CB C 16.349 0.000 1 911 92 93 ALA N N 130.113 0.000 1 912 93 94 PRO HA H 4.366 0.004 1 913 93 94 PRO HB2 H 1.841 0.000 2 914 93 94 PRO HB3 H 2.275 0.000 2 915 93 94 PRO HG2 H 2.020 0.000 2 916 93 94 PRO HD2 H 3.809 0.000 2 917 93 94 PRO HD3 H 3.637 0.000 2 918 93 94 PRO C C 178.055 0.000 1 919 93 94 PRO CA C 63.503 0.000 1 920 93 94 PRO CB C 30.407 0.000 1 921 93 94 PRO CG C 27.478 0.000 1 922 93 94 PRO CD C 50.681 0.077 1 923 94 95 GLY H H 8.653 0.000 1 924 94 95 GLY HA2 H 4.135 0.000 2 925 94 95 GLY HA3 H 3.703 0.000 2 926 94 95 GLY C C 174.036 0.000 1 927 94 95 GLY CA C 45.051 0.000 1 928 94 95 GLY N N 111.052 0.000 1 929 95 96 GLN H H 7.775 0.000 1 930 95 96 GLN HA H 4.484 0.000 1 931 95 96 GLN HB2 H 2.074 0.008 2 932 95 96 GLN HG2 H 2.306 0.000 2 933 95 96 GLN C C 175.003 0.000 1 934 95 96 GLN CA C 54.289 0.000 1 935 95 96 GLN CB C 27.929 0.000 1 936 95 96 GLN CG C 32.599 0.000 1 937 95 96 GLN N N 119.177 0.000 1 938 96 97 MET H H 8.408 0.000 1 939 96 97 MET HA H 4.368 0.000 1 940 96 97 MET HB2 H 1.834 0.003 2 941 96 97 MET HB3 H 2.002 0.004 2 942 96 97 MET HG2 H 2.358 0.000 2 943 96 97 MET HE H 1.526 0.015 . 944 96 97 MET C C 175.946 0.000 1 945 96 97 MET CA C 54.289 0.000 1 946 96 97 MET CB C 34.372 0.000 1 947 96 97 MET CG C 31.427 0.000 1 948 96 97 MET CE C 16.185 0.000 1 949 96 97 MET N N 120.427 0.000 1 950 97 98 ARG H H 8.694 0.000 1 951 97 98 ARG HA H 4.456 0.000 1 952 97 98 ARG HB2 H 2.035 0.000 2 953 97 98 ARG HB3 H 1.737 0.000 2 954 97 98 ARG HG2 H 1.721 0.001 2 955 97 98 ARG HG3 H 1.547 0.009 2 956 97 98 ARG HD2 H 3.217 0.000 2 957 97 98 ARG HD3 H 3.118 0.000 2 958 97 98 ARG C C 174.706 0.000 1 959 97 98 ARG CA C 54.645 0.000 1 960 97 98 ARG CB C 30.272 0.000 1 961 97 98 ARG CG C 26.848 0.000 1 962 97 98 ARG CD C 42.777 0.000 1 963 97 98 ARG N N 122.926 0.000 1 964 98 99 GLU H H 8.695 0.000 1 965 98 99 GLU HA H 4.336 0.000 1 966 98 99 GLU HB2 H 1.876 0.000 2 967 98 99 GLU HG2 H 2.407 0.000 2 968 98 99 GLU HG3 H 2.297 0.000 2 969 98 99 GLU CA C 53.838 0.000 1 970 98 99 GLU CB C 29.082 0.000 1 971 98 99 GLU CG C 33.772 0.000 1 972 98 99 GLU N N 123.119 0.000 1 973 99 100 PRO HA H 4.190 0.006 1 974 99 100 PRO HB3 H 2.296 0.000 2 975 99 100 PRO HG2 H 1.996 0.007 2 976 99 100 PRO HD2 H 3.458 0.000 2 977 99 100 PRO HD3 H 2.690 0.000 2 978 99 100 PRO C C 177.186 0.000 1 979 99 100 PRO CA C 62.489 0.000 1 980 99 100 PRO CB C 33.772 0.000 1 981 99 100 PRO CD C 49.013 0.000 1 982 100 101 ARG H H 9.784 0.004 1 983 100 101 ARG HA H 4.725 0.000 1 984 100 101 ARG HB2 H 1.743 0.000 2 985 100 101 ARG HB3 H 2.255 0.006 2 986 100 101 ARG HG2 H 1.859 0.000 2 987 100 101 ARG HD2 H 3.208 0.003 2 988 100 101 ARG CA C 52.959 0.000 1 989 100 101 ARG CB C 28.514 0.000 1 990 100 101 ARG CG C 26.014 0.000 1 991 100 101 ARG CD C 42.122 0.000 1 992 100 101 ARG N N 121.713 0.000 1 993 101 102 GLY H H 7.330 0.005 1 994 101 102 GLY HA2 H 4.235 0.000 2 995 101 102 GLY HA3 H 3.581 0.008 2 996 101 102 GLY C C 175.896 0.000 1 997 101 102 GLY CA C 48.427 0.000 1 998 101 102 GLY N N 117.130 0.043 1 999 102 103 SER H H 9.209 0.000 1 1000 102 103 SER HA H 4.117 0.000 1 1001 102 103 SER HB2 H 3.945 0.007 2 1002 102 103 SER HB3 H 3.969 0.000 2 1003 102 103 SER C C 176.715 0.000 1 1004 102 103 SER CA C 60.867 0.000 1 1005 102 103 SER CB C 62.489 0.000 1 1006 102 103 SER N N 114.490 0.000 1 1007 103 104 ASP H H 7.060 0.000 1 1008 103 104 ASP HA H 4.351 0.000 1 1009 103 104 ASP HB2 H 2.345 0.013 2 1010 103 104 ASP C C 179.667 0.000 1 1011 103 104 ASP CA C 56.634 0.000 1 1012 103 104 ASP CB C 35.530 0.000 1 1013 103 104 ASP N N 122.768 0.000 1 1014 104 105 ILE H H 7.218 0.000 1 1015 104 105 ILE HA H 2.989 0.000 1 1016 104 105 ILE HB H 1.541 0.000 1 1017 104 105 ILE HG12 H -0.104 0.000 2 1018 104 105 ILE HG13 H 0.906 0.000 2 1019 104 105 ILE HG2 H -0.246 0.000 . 1020 104 105 ILE HD1 H -0.959 0.000 . 1021 104 105 ILE C C 172.498 0.000 1 1022 104 105 ILE CA C 63.439 1.402 1 1023 104 105 ILE CB C 39.544 2.799 1 1024 104 105 ILE CG2 C 16.772 0.000 1 1025 104 105 ILE CD1 C 10.888 2.489 1 1026 104 105 ILE N N 124.176 0.000 1 1027 105 106 ALA H H 6.879 0.000 1 1028 105 106 ALA HA H 2.258 0.000 1 1029 105 106 ALA HB H 1.167 0.008 . 1030 105 106 ALA C C 177.112 0.000 1 1031 105 106 ALA CA C 49.599 0.000 1 1032 105 106 ALA CB C 17.227 0.000 1 1033 105 106 ALA N N 111.869 0.000 1 1034 106 107 GLY H H 6.865 0.000 1 1035 106 107 GLY HA2 H 3.644 0.000 2 1036 106 107 GLY HA3 H 3.506 0.002 2 1037 106 107 GLY C C 173.614 0.000 1 1038 106 107 GLY N N 101.366 0.000 1 1039 107 108 THR H H 8.137 0.000 1 1040 107 108 THR HA H 4.634 0.000 1 1041 107 108 THR HB H 4.261 0.000 1 1042 107 108 THR HG2 H 1.119 0.000 . 1043 107 108 THR C C 176.913 0.000 1 1044 107 108 THR CA C 63.210 0.000 1 1045 107 108 THR CB C 69.360 0.000 1 1046 107 108 THR CG2 C 22.499 0.000 1 1047 107 108 THR N N 112.924 0.000 1 1048 108 109 THR H H 7.045 0.000 1 1049 108 109 THR HA H 4.549 0.000 1 1050 108 109 THR HB H 4.607 0.000 1 1051 108 109 THR HG2 H 1.045 0.000 . 1052 108 109 THR C C 173.068 0.000 1 1053 108 109 THR CA C 60.574 0.000 1 1054 108 109 THR CB C 68.775 0.000 1 1055 108 109 THR CG2 C 19.863 0.000 1 1056 108 109 THR N N 105.428 0.000 1 1057 109 110 SER H H 7.040 0.000 1 1058 109 110 SER HA H 5.165 0.000 1 1059 109 110 SER HB2 H 4.336 0.015 2 1060 109 110 SER HB3 H 4.252 0.000 2 1061 109 110 SER C C 173.962 0.000 1 1062 109 110 SER CA C 53.252 0.000 1 1063 109 110 SER CB C 66.139 0.000 1 1064 109 110 SER N N 111.365 0.000 1 1065 110 111 THR H H 8.663 0.000 1 1066 110 111 THR HA H 4.592 0.000 1 1067 110 111 THR HB H 4.700 0.000 1 1068 110 111 THR HG2 H 1.144 0.002 . 1069 110 111 THR C C 175.698 0.000 1 1070 110 111 THR CA C 59.110 0.000 1 1071 110 111 THR CB C 70.104 0.000 1 1072 110 111 THR CG2 C 21.621 0.000 1 1073 110 111 THR N N 112.221 0.000 1 1074 111 112 LEU H H 8.697 0.000 1 1075 111 112 LEU HA H 4.009 0.005 1 1076 111 112 LEU HB2 H 1.710 0.000 2 1077 111 112 LEU HB3 H 1.560 0.000 2 1078 111 112 LEU HG H 1.211 0.000 1 1079 111 112 LEU HD1 H 0.846 0.000 . 1080 111 112 LEU HD2 H 0.889 0.000 . 1081 111 112 LEU C C 177.881 0.000 1 1082 111 112 LEU CA C 57.938 0.000 1 1083 111 112 LEU CB C 40.591 0.361 1 1084 111 112 LEU CG C 26.600 0.000 1 1085 111 112 LEU CD1 C 23.378 0.000 2 1086 111 112 LEU CD2 C 25.428 0.000 2 1087 111 112 LEU N N 121.676 0.000 1 1088 112 113 GLN H H 8.089 0.001 1 1089 112 113 GLN HA H 3.853 0.000 1 1090 112 113 GLN HB2 H 1.919 0.005 2 1091 112 113 GLN HB3 H 1.804 0.006 2 1092 112 113 GLN HG2 H 2.306 0.005 2 1093 112 113 GLN HG3 H 2.235 0.005 2 1094 112 113 GLN C C 179.394 0.000 1 1095 112 113 GLN CA C 59.565 0.000 1 1096 112 113 GLN CB C 27.910 0.000 1 1097 112 113 GLN CG C 33.772 0.000 1 1098 112 113 GLN N N 114.490 0.000 1 1099 113 114 GLU H H 7.680 0.000 1 1100 113 114 GLU HA H 3.323 0.000 1 1101 113 114 GLU HB2 H 2.129 0.008 2 1102 113 114 GLU C C 177.059 0.000 1 1103 113 114 GLU N N 119.877 0.620 1 1104 114 115 GLN H H 7.804 0.000 1 1105 114 115 GLN HA H 4.207 0.000 1 1106 114 115 GLN HB2 H 2.013 0.000 2 1107 114 115 GLN HB3 H 1.913 0.000 2 1108 114 115 GLN HG2 H 2.355 0.003 2 1109 114 115 GLN HG3 H 2.242 0.000 2 1110 114 115 GLN C C 178.749 0.000 1 1111 114 115 GLN CA C 58.974 0.000 1 1112 114 115 GLN CB C 29.528 0.000 1 1113 114 115 GLN CG C 35.386 0.000 1 1114 114 115 GLN N N 116.439 0.000 1 1115 115 116 ILE H H 8.498 0.002 1 1116 115 116 ILE HA H 3.919 0.000 1 1117 115 116 ILE HB H 1.826 0.000 1 1118 115 116 ILE HG12 H 1.240 0.006 2 1119 115 116 ILE HG13 H 1.608 0.002 2 1120 115 116 ILE HG2 H 0.750 0.007 . 1121 115 116 ILE HD1 H 0.806 0.000 . 1122 115 116 ILE C C 179.468 0.000 1 1123 115 116 ILE CA C 62.489 0.000 1 1124 115 116 ILE CB C 37.729 0.000 1 1125 115 116 ILE CG1 C 26.757 0.000 1 1126 115 116 ILE CG2 C 19.728 0.000 1 1127 115 116 ILE CD1 C 11.527 0.000 1 1128 115 116 ILE N N 117.302 0.000 1 1129 116 117 GLY H H 8.169 0.001 1 1130 116 117 GLY HA2 H 3.653 0.000 2 1131 116 117 GLY HA3 H 3.550 0.002 2 1132 116 117 GLY C C 175.946 0.000 1 1133 116 117 GLY CA C 48.430 0.000 1 1134 116 117 GLY N N 119.604 0.000 1 1135 117 118 TRP H H 8.273 0.000 1 1136 117 118 TRP HA H 4.435 0.002 1 1137 117 118 TRP HB2 H 3.588 0.007 2 1138 117 118 TRP HB3 H 3.421 0.000 2 1139 117 118 TRP HD1 H 7.237 0.007 1 1140 117 118 TRP HE1 H 10.598 0.000 1 1141 117 118 TRP HE3 H 7.249 0.000 1 1142 117 118 TRP HZ2 H 6.950 0.000 1 1143 117 118 TRP C C 178.848 0.000 1 1144 117 118 TRP CA C 62.496 0.000 1 1145 117 118 TRP CB C 27.323 0.000 1 1146 117 118 TRP N N 121.361 0.000 1 1147 117 118 TRP NE1 N 130.151 0.000 1 1148 118 119 MET H H 8.514 0.004 1 1149 118 119 MET HA H 4.051 0.000 1 1150 118 119 MET HB2 H 2.055 0.002 2 1151 118 119 MET HB3 H 1.892 0.000 2 1152 118 119 MET HG2 H 2.275 0.000 2 1153 118 119 MET HE H 2.022 0.000 . 1154 118 119 MET C C 177.286 0.000 1 1155 118 119 MET CA C 59.565 0.000 1 1156 118 119 MET CB C 29.668 0.000 1 1157 118 119 MET CG C 35.530 0.000 1 1158 118 119 MET CE C 14.427 0.000 1 1159 118 119 MET N N 116.439 0.000 1 1160 119 120 THR H H 7.817 0.000 1 1161 119 120 THR HA H 4.616 0.000 1 1162 119 120 THR HB H 4.505 0.000 1 1163 119 120 THR HG2 H 1.228 0.000 . 1164 119 120 THR C C 173.565 0.000 1 1165 119 120 THR CA C 60.574 0.293 1 1166 119 120 THR CB C 69.946 0.000 1 1167 119 120 THR CG2 C 21.328 0.000 1 1168 119 120 THR N N 103.866 0.000 1 1169 120 121 HIS H H 7.052 0.000 1 1170 120 121 HIS HA H 4.285 0.000 1 1171 120 121 HIS HB2 H 3.786 0.000 2 1172 120 121 HIS HB3 H 3.244 0.016 2 1173 120 121 HIS C C 171.878 0.000 1 1174 120 121 HIS CA C 56.634 0.000 1 1175 120 121 HIS N N 123.205 0.121 1 1176 121 122 ASN H H 7.538 0.000 1 1177 121 122 ASN HA H 5.079 0.000 1 1178 121 122 ASN HB2 H 2.790 0.000 2 1179 121 122 ASN HB3 H 2.520 0.000 2 1180 121 122 ASN CA C 48.859 0.000 1 1181 121 122 ASN CB C 39.193 0.000 1 1182 121 122 ASN N N 119.955 0.000 1 1183 122 123 PRO HB2 H 2.242 0.007 2 1184 122 123 PRO HB3 H 2.426 0.000 2 1185 122 123 PRO HG2 H 2.034 0.000 2 1186 122 123 PRO HD2 H 3.948 0.005 2 1187 122 123 PRO HD3 H 3.732 0.003 2 1188 122 123 PRO CB C 33.096 0.069 1 1189 122 123 PRO CG C 25.585 0.000 1 1190 122 123 PRO CD C 49.599 0.000 1 1191 123 124 PRO HA H 4.539 0.000 1 1192 123 124 PRO HB2 H 2.059 0.000 2 1193 123 124 PRO HB3 H 2.291 0.000 2 1194 123 124 PRO HG2 H 2.009 0.000 2 1195 123 124 PRO HD2 H 3.770 0.000 2 1196 123 124 PRO C C 176.070 0.000 1 1197 123 124 PRO CA C 63.668 0.000 1 1198 123 124 PRO CB C 31.427 0.000 1 1199 123 124 PRO CG C 27.323 0.000 1 1200 123 124 PRO CD C 50.186 0.000 1 1201 124 125 ILE H H 8.276 0.000 1 1202 124 125 ILE HA H 4.185 0.000 1 1203 124 125 ILE HB H 1.722 0.000 1 1204 124 125 ILE HG12 H 1.134 0.000 2 1205 124 125 ILE HG13 H 1.602 0.000 2 1206 124 125 ILE HG2 H 0.547 0.000 . 1207 124 125 ILE HD1 H 0.813 0.000 . 1208 124 125 ILE CA C 59.110 0.000 1 1209 124 125 ILE CB C 39.193 0.000 1 1210 124 125 ILE CG1 C 26.892 0.000 1 1211 124 125 ILE CG2 C 17.227 0.000 1 1212 124 125 ILE CD1 C 12.248 0.000 1 1213 124 125 ILE N N 122.416 0.000 1 1214 125 126 PRO HA H 4.335 0.000 1 1215 125 126 PRO HB3 H 2.341 0.000 2 1216 125 126 PRO HG2 H 2.140 0.000 2 1217 125 126 PRO HD2 H 3.587 0.000 2 1218 125 126 PRO C C 176.614 0.000 1 1219 125 126 PRO CA C 61.910 0.000 1 1220 125 126 PRO CB C 34.358 0.000 1 1221 126 127 VAL H H 8.987 0.000 1 1222 126 127 VAL HA H 3.492 0.000 1 1223 126 127 VAL HB H 2.032 0.000 1 1224 126 127 VAL HG1 H 0.561 0.000 . 1225 126 127 VAL HG2 H 1.157 0.000 . 1226 126 127 VAL C C 176.393 0.000 1 1227 126 127 VAL CA C 64.246 0.000 1 1228 126 127 VAL CB C 29.668 0.000 1 1229 126 127 VAL CG1 C 23.806 0.000 2 1230 126 127 VAL CG2 C 18.530 0.000 2 1231 126 127 VAL N N 115.115 0.000 1 1232 127 128 GLY H H 7.916 0.000 1 1233 127 128 GLY HA2 H 4.141 0.007 2 1234 127 128 GLY HA3 H 3.611 0.000 2 1235 127 128 GLY CA C 46.516 0.000 1 1236 127 128 GLY N N 106.990 0.000 1 1237 128 129 GLU H H 7.403 0.000 1 1238 128 129 GLU HA H 4.002 0.000 1 1239 128 129 GLU HB2 H 2.254 0.000 2 1240 128 129 GLU HB3 H 2.126 0.000 2 1241 128 129 GLU HG2 H 2.474 0.000 2 1242 128 129 GLU HG3 H 2.406 0.000 2 1243 128 129 GLU C C 179.444 0.000 1 1244 128 129 GLU CA C 58.817 0.000 1 1245 128 129 GLU CB C 29.082 0.000 1 1246 128 129 GLU CG C 35.530 0.000 1 1247 128 129 GLU N N 121.676 0.000 1 1248 129 130 ILE H H 8.152 0.000 1 1249 129 130 ILE HA H 3.188 0.000 1 1250 129 130 ILE HB H 1.569 0.009 1 1251 129 130 ILE HG12 H 0.763 0.000 2 1252 129 130 ILE HG13 H 0.945 0.000 2 1253 129 130 ILE HG2 H 0.115 0.000 . 1254 129 130 ILE HD1 H 0.280 0.000 . 1255 129 130 ILE C C 175.971 0.000 1 1256 129 130 ILE CA C 65.846 0.000 1 1257 129 130 ILE CB C 39.058 0.000 1 1258 129 130 ILE CG2 C 17.227 0.000 1 1259 129 130 ILE CD1 C 13.127 0.000 1 1260 129 130 ILE N N 121.010 0.000 1 1261 130 131 TYR H H 7.470 0.003 1 1262 130 131 TYR HA H 3.623 0.000 1 1263 130 131 TYR HB2 H 2.806 0.000 2 1264 130 131 TYR HD1 H 6.709 0.001 3 1265 130 131 TYR HE1 H 7.142 0.000 3 1266 130 131 TYR HE2 H 7.431 0.000 3 1267 130 131 TYR C C 178.526 0.000 1 1268 130 131 TYR N N 116.364 0.000 1 1269 131 132 LYS H H 7.896 0.001 1 1270 131 132 LYS HA H 3.678 0.000 1 1271 131 132 LYS HB2 H 1.931 0.001 2 1272 131 132 LYS HB3 H 1.838 0.002 2 1273 131 132 LYS HG2 H 1.502 0.007 2 1274 131 132 LYS HG3 H 1.417 0.002 2 1275 131 132 LYS HD2 H 1.714 0.000 2 1276 131 132 LYS HD3 H 1.636 0.000 2 1277 131 132 LYS HE2 H 3.245 0.000 2 1278 131 132 LYS HE3 H 3.168 0.000 2 1279 131 132 LYS C C 177.608 0.000 1 1280 131 132 LYS CA C 60.731 0.000 1 1281 131 132 LYS CB C 31.871 0.000 1 1282 131 132 LYS CG C 25.135 0.000 1 1283 131 132 LYS CD C 29.686 0.000 1 1284 131 132 LYS CE C 43.001 0.000 1 1285 131 132 LYS N N 116.791 0.000 1 1286 132 133 ARG H H 7.443 0.000 1 1287 132 133 ARG HA H 4.102 0.000 1 1288 132 133 ARG HB2 H 1.882 0.000 2 1289 132 133 ARG HG2 H 1.606 0.005 2 1290 132 133 ARG HD2 H 3.247 0.000 2 1291 132 133 ARG CA C 58.388 0.000 1 1292 132 133 ARG CB C 28.943 0.000 1 1293 132 133 ARG CG C 25.428 0.000 1 1294 132 133 ARG CD C 43.880 0.000 1 1295 132 133 ARG N N 117.302 0.000 1 1296 133 134 TRP H H 8.062 0.002 1 1297 133 134 TRP HA H 4.670 0.000 1 1298 133 134 TRP HB2 H 3.072 0.000 2 1299 133 134 TRP HB3 H 2.618 0.004 2 1300 133 134 TRP HE3 H 7.451 0.000 1 1301 133 134 TRP C C 178.129 0.000 1 1302 133 134 TRP CA C 59.110 0.000 1 1303 133 134 TRP CB C 27.929 0.000 1 1304 133 134 TRP N N 121.361 0.000 1 1305 134 135 ILE H H 8.416 0.000 1 1306 134 135 ILE HA H 3.542 0.000 1 1307 134 135 ILE HB H 1.665 0.002 1 1308 134 135 ILE HG2 H 0.241 0.000 . 1309 134 135 ILE HD1 H 0.115 0.000 . 1310 134 135 ILE C C 178.129 0.000 1 1311 134 135 ILE CA C 65.553 0.000 1 1312 134 135 ILE CB C 37.875 0.000 1 1313 134 135 ILE CG2 C 17.358 0.000 1 1314 134 135 ILE CD1 C 14.427 0.000 1 1315 134 135 ILE N N 119.252 0.000 1 1316 135 136 ILE H H 8.681 0.000 1 1317 135 136 ILE HA H 3.471 0.000 1 1318 135 136 ILE HB H 2.006 0.003 1 1319 135 136 ILE HG13 H 1.953 0.006 2 1320 135 136 ILE HG2 H 0.903 0.007 . 1321 135 136 ILE HD1 H 0.752 0.019 . 1322 135 136 ILE C C 178.625 0.000 1 1323 135 136 ILE CA C 65.418 0.000 1 1324 135 136 ILE CB C 38.472 0.000 1 1325 135 136 ILE CG1 C 30.700 0.000 1 1326 135 136 ILE CG2 C 17.227 0.000 1 1327 135 136 ILE CD1 C 13.420 0.000 1 1328 135 136 ILE N N 121.051 0.000 1 1329 136 137 LEU H H 8.291 0.000 1 1330 136 137 LEU HA H 4.254 0.000 1 1331 136 137 LEU HB2 H 2.022 0.000 2 1332 136 137 LEU HB3 H 1.710 0.009 2 1333 136 137 LEU HG H 1.787 0.006 1 1334 136 137 LEU HD1 H 0.811 0.041 . 1335 136 137 LEU HD2 H 0.920 0.000 . 1336 136 137 LEU C C 180.560 0.000 1 1337 136 137 LEU CA C 58.817 0.000 1 1338 136 137 LEU CB C 41.244 0.000 1 1339 136 137 LEU CG C 26.600 0.000 1 1340 136 137 LEU CD1 C 24.549 0.000 2 1341 136 137 LEU CD2 C 23.964 0.000 2 1342 136 137 LEU N N 121.715 0.165 1 1343 137 138 GLY H H 8.020 0.000 1 1344 137 138 GLY HA2 H 4.167 0.000 2 1345 137 138 GLY HA3 H 3.622 0.000 2 1346 137 138 GLY C C 175.351 0.000 1 1347 137 138 GLY CA C 44.916 0.000 1 1348 137 138 GLY N N 107.650 0.000 1 1349 138 139 LEU H H 9.388 0.000 1 1350 138 139 LEU HA H 3.936 0.000 1 1351 138 139 LEU HB2 H 1.875 0.000 2 1352 138 139 LEU HB3 H 1.684 0.008 2 1353 138 139 LEU HG H 1.591 0.002 1 1354 138 139 LEU HD1 H 0.850 0.000 . 1355 138 139 LEU HD2 H 0.359 0.000 . 1356 138 139 LEU C C 178.699 0.000 1 1357 138 139 LEU CA C 58.974 0.000 1 1358 138 139 LEU CB C 41.355 0.064 1 1359 138 139 LEU CG C 26.892 0.000 1 1360 138 139 LEU CD1 C 21.913 0.000 2 1361 138 139 LEU CD2 C 25.135 0.000 2 1362 138 139 LEU N N 121.051 0.000 1 1363 139 140 ASN H H 8.476 0.002 1 1364 139 140 ASN HA H 4.372 0.000 1 1365 139 140 ASN HB2 H 2.848 0.000 2 1366 139 140 ASN HB3 H 2.540 0.000 2 1367 139 140 ASN C C 177.583 0.000 1 1368 139 140 ASN CA C 57.645 0.000 1 1369 139 140 ASN CB C 38.388 0.073 1 1370 139 140 ASN N N 115.739 0.000 1 1371 140 141 LYS H H 7.523 0.001 1 1372 140 141 LYS HA H 4.096 0.000 1 1373 140 141 LYS HB2 H 1.981 0.004 2 1374 140 141 LYS HG2 H 2.094 0.008 2 1375 140 141 LYS HE2 H 2.945 0.000 2 1376 140 141 LYS C C 177.558 0.000 1 1377 140 141 LYS CA C 59.565 0.000 1 1378 140 141 LYS CB C 32.599 0.000 1 1379 140 141 LYS CG C 28.496 0.000 1 1380 140 141 LYS CE C 43.151 0.000 1 1381 140 141 LYS N N 119.252 0.000 1 1382 141 142 ILE H H 7.690 0.003 1 1383 141 142 ILE HA H 3.753 0.000 1 1384 141 142 ILE HB H 1.876 0.000 1 1385 141 142 ILE HG12 H 0.798 0.000 2 1386 141 142 ILE HG13 H 1.276 0.001 2 1387 141 142 ILE HG2 H 0.562 0.000 . 1388 141 142 ILE HD1 H 0.680 0.005 . 1389 141 142 ILE C C 178.055 0.000 1 1390 141 142 ILE CA C 65.854 0.297 1 1391 141 142 ILE CB C 37.887 0.000 1 1392 141 142 ILE CG1 C 26.737 0.000 1 1393 141 142 ILE CG2 C 17.813 0.000 1 1394 141 142 ILE CD1 C 14.591 0.000 1 1395 141 142 ILE N N 120.307 0.000 1 1396 142 143 VAL H H 8.565 0.000 1 1397 142 143 VAL HA H 3.964 0.002 1 1398 142 143 VAL HB H 2.241 0.000 1 1399 142 143 VAL HG1 H 1.012 0.000 . 1400 142 143 VAL HG2 H 0.896 0.000 . 1401 142 143 VAL C C 178.179 0.000 1 1402 142 143 VAL CA C 64.862 0.047 1 1403 142 143 VAL CB C 31.579 0.000 1 1404 142 143 VAL CG1 C 21.913 0.000 2 1405 142 143 VAL CG2 C 21.211 0.351 2 1406 142 143 VAL N N 118.900 0.000 1 1407 143 144 ARG H H 7.442 0.000 1 1408 143 144 ARG HA H 4.133 0.000 1 1409 143 144 ARG HB2 H 2.036 0.000 2 1410 143 144 ARG HB3 H 1.896 0.001 2 1411 143 144 ARG HG2 H 1.845 0.001 2 1412 143 144 ARG HG3 H 1.781 0.002 2 1413 143 144 ARG HD2 H 3.221 0.000 2 1414 143 144 ARG HD3 H 3.133 0.000 2 1415 143 144 ARG C C 178.699 0.000 1 1416 143 144 ARG CA C 58.393 0.000 1 1417 143 144 ARG CD C 43.151 0.000 1 1418 143 144 ARG N N 117.846 0.000 1 1419 144 145 MET H H 7.772 0.000 1 1420 144 145 MET HA H 4.177 0.000 1 1421 144 145 MET HB2 H 1.945 0.000 2 1422 144 145 MET HG2 H 2.292 0.001 2 1423 144 145 MET C C 176.715 0.000 1 1424 144 145 MET CA C 57.059 0.000 1 1425 144 145 MET CB C 32.599 0.000 1 1426 144 145 MET CG C 31.427 0.000 1 1427 144 145 MET N N 117.846 0.000 1 1428 145 146 TYR H H 7.903 0.000 1 1429 145 146 TYR HA H 4.567 0.000 1 1430 145 146 TYR HB2 H 3.205 0.015 2 1431 145 146 TYR HB3 H 2.873 0.000 2 1432 145 146 TYR HD2 H 7.167 0.000 3 1433 145 146 TYR HE2 H 6.696 0.000 3 1434 145 146 TYR C C 175.673 0.000 1 1435 145 146 TYR CA C 57.806 0.000 1 1436 145 146 TYR CB C 38.461 0.000 1 1437 145 146 TYR N N 116.989 0.000 1 1438 146 147 SER H H 7.782 0.000 1 1439 146 147 SER HA H 4.753 0.000 1 1440 146 147 SER HB2 H 4.024 0.000 2 1441 146 147 SER HB3 H 3.858 0.000 2 1442 146 147 SER CA C 55.888 0.000 1 1443 146 147 SER CB C 63.503 0.000 1 1444 146 147 SER N N 117.315 0.048 1 1445 147 148 PRO HA H 4.112 0.000 1 1446 147 148 PRO HB2 H 2.301 0.000 2 1447 147 148 PRO HB3 H 2.358 0.000 2 1448 147 148 PRO HG2 H 2.097 0.000 2 1449 147 148 PRO HG3 H 2.011 0.000 2 1450 147 148 PRO HD2 H 3.974 0.000 2 1451 147 148 PRO HD3 H 3.867 0.000 2 1452 147 148 PRO C C 177.360 0.000 1 1453 147 148 PRO CA C 62.489 0.000 1 1454 147 148 PRO CB C 31.142 0.285 1 1455 147 148 PRO CG C 27.323 0.000 1 1456 148 149 THR H H 8.090 0.000 1 1457 148 149 THR HA H 4.215 0.006 1 1458 148 149 THR HB H 4.293 0.000 1 1459 148 149 THR HG2 H 1.195 0.000 . 1460 148 149 THR C C 174.234 0.000 1 1461 148 149 THR CA C 61.910 0.000 1 1462 148 149 THR CB C 68.944 0.000 1 1463 148 149 THR CG2 C 22.047 0.000 1 1464 148 149 THR N N 114.330 0.000 1 1465 149 150 SER H H 8.250 0.001 1 1466 149 150 SER HA H 4.455 0.000 1 1467 149 150 SER HB2 H 3.853 0.000 2 1468 149 150 SER HB3 H 3.732 0.000 2 1469 149 150 SER C C 178.575 0.000 1 1470 149 150 SER CA C 57.499 1.318 1 1471 149 150 SER CB C 64.089 0.000 1 1472 149 150 SER N N 116.989 0.000 1 1473 150 151 ILE H H 7.877 0.002 1 1474 150 151 ILE HA H 4.074 0.002 1 1475 150 151 ILE HB H 1.489 0.000 1 1476 150 151 ILE HG12 H 1.161 0.000 2 1477 150 151 ILE HG13 H 1.377 0.000 2 1478 150 151 ILE HG2 H 0.602 0.000 . 1479 150 151 ILE HD1 H 0.301 0.005 . 1480 150 151 ILE C C 178.451 0.000 1 1481 150 151 ILE CA C 60.867 0.000 1 1482 150 151 ILE CB C 40.220 0.000 1 1483 150 151 ILE CG1 C 26.892 0.000 1 1484 150 151 ILE CG2 C 18.399 0.000 1 1485 150 151 ILE CD1 C 13.713 0.000 1 1486 150 151 ILE N N 122.301 0.000 1 1487 151 152 LEU H H 7.544 0.000 1 1488 151 152 LEU HA H 3.853 0.000 1 1489 151 152 LEU HB2 H 1.591 0.002 2 1490 151 152 LEU HB3 H 1.536 0.000 2 1491 151 152 LEU HG H 1.443 0.016 1 1492 151 152 LEU HD1 H 0.868 0.002 . 1493 151 152 LEU HD2 H 0.775 0.028 . 1494 151 152 LEU C C 177.608 0.000 1 1495 151 152 LEU CA C 57.217 0.000 1 1496 151 152 LEU CB C 40.788 0.049 1 1497 151 152 LEU CG C 26.600 0.000 1 1498 151 152 LEU CD1 C 22.792 0.000 2 1499 151 152 LEU CD2 C 24.842 0.000 2 1500 151 152 LEU N N 118.864 0.000 1 1501 152 153 ASP H H 7.610 0.000 1 1502 152 153 ASP HA H 4.624 0.000 1 1503 152 153 ASP HB2 H 2.922 0.000 2 1504 152 153 ASP HB3 H 2.546 0.008 2 1505 152 153 ASP C C 175.772 0.000 1 1506 152 153 ASP CA C 53.252 0.000 1 1507 152 153 ASP CB C 40.410 0.312 1 1508 152 153 ASP N N 115.736 0.000 1 1509 153 154 ILE H H 7.406 0.000 1 1510 153 154 ILE HA H 4.151 0.000 1 1511 153 154 ILE HB H 2.217 0.000 1 1512 153 154 ILE HG12 H 1.279 0.000 2 1513 153 154 ILE HG13 H 1.549 0.000 2 1514 153 154 ILE HG2 H 0.912 0.000 . 1515 153 154 ILE HD1 H 0.696 0.000 . 1516 153 154 ILE C C 173.713 0.000 1 1517 153 154 ILE CA C 59.402 0.000 1 1518 153 154 ILE CB C 35.093 0.000 1 1519 153 154 ILE CG1 C 26.171 0.000 1 1520 153 154 ILE CG2 C 16.056 0.000 1 1521 153 154 ILE CD1 C 10.198 0.000 1 1522 153 154 ILE N N 121.699 0.092 1 1523 154 155 ARG H H 8.193 0.000 1 1524 154 155 ARG HA H 4.750 0.000 1 1525 154 155 ARG HB2 H 1.776 0.000 2 1526 154 155 ARG HB3 H 1.622 0.012 2 1527 154 155 ARG HG2 H 1.427 0.000 2 1528 154 155 ARG HD2 H 3.178 0.000 2 1529 154 155 ARG HD3 H 3.018 0.004 2 1530 154 155 ARG C C 175.723 0.000 1 1531 154 155 ARG CA C 53.838 0.000 1 1532 154 155 ARG CB C 30.272 0.000 1 1533 154 155 ARG CG C 26.014 0.000 1 1534 154 155 ARG CD C 43.001 0.000 1 1535 154 155 ARG N N 124.877 0.000 1 1536 155 156 GLN H H 7.647 0.000 1 1537 155 156 GLN HA H 3.720 0.008 1 1538 155 156 GLN HB2 H 1.796 0.000 2 1539 155 156 GLN HB3 H 1.702 0.000 2 1540 155 156 GLN HG2 H 1.529 0.000 2 1541 155 156 GLN HG3 H 1.451 0.000 2 1542 155 156 GLN C C 177.037 0.000 1 1543 155 156 GLN CA C 54.875 0.000 1 1544 155 156 GLN CB C 26.151 0.000 1 1545 155 156 GLN CG C 34.358 0.000 1 1546 155 156 GLN N N 126.363 0.000 1 1547 156 157 GLY H H 9.772 0.000 1 1548 156 157 GLY HA2 H 3.853 0.000 2 1549 156 157 GLY HA3 H 3.759 0.000 2 1550 156 157 GLY CA C 44.465 0.000 1 1551 156 157 GLY N N 116.439 0.000 1 1552 157 158 PRO HA H 4.372 0.000 1 1553 157 158 PRO HB2 H 1.961 0.000 2 1554 157 158 PRO HB3 H 2.354 0.000 2 1555 157 158 PRO HG2 H 2.080 0.000 2 1556 157 158 PRO HG3 H 2.134 0.000 2 1557 157 158 PRO HD2 H 3.820 0.000 2 1558 157 158 PRO C C 178.551 0.000 1 1559 157 158 PRO CA C 64.832 0.000 1 1560 157 158 PRO CB C 30.857 0.000 1 1561 157 158 PRO CG C 26.151 0.000 1 1562 157 158 PRO CD C 49.013 0.000 1 1563 158 159 LYS H H 8.511 0.000 1 1564 158 159 LYS HA H 4.277 0.000 1 1565 158 159 LYS HB2 H 2.036 0.000 2 1566 158 159 LYS HB3 H 1.584 0.000 2 1567 158 159 LYS HG2 H 1.292 0.000 2 1568 158 159 LYS HG3 H 1.292 0.000 2 1569 158 159 LYS HD2 H 1.809 0.000 2 1570 158 159 LYS HD3 H 1.564 0.000 2 1571 158 159 LYS HE2 H 2.951 0.000 2 1572 158 159 LYS HE3 H 2.857 0.000 2 1573 158 159 LYS C C 175.499 0.000 1 1574 158 159 LYS CA C 54.423 0.000 1 1575 158 159 LYS CB C 31.427 0.000 1 1576 158 159 LYS CG C 24.256 0.000 1 1577 158 159 LYS CD C 28.650 0.000 1 1578 158 159 LYS CE C 41.829 0.000 1 1579 158 159 LYS N N 116.364 0.000 1 1580 159 160 GLU H H 6.922 0.000 1 1581 159 160 GLU HA H 4.537 0.003 1 1582 159 160 GLU HB2 H 2.282 0.000 2 1583 159 160 GLU HB3 H 1.894 0.000 2 1584 159 160 GLU HG2 H 2.121 0.000 2 1585 159 160 GLU HG3 H 1.986 0.000 2 1586 159 160 GLU CA C 54.874 0.000 1 1587 159 160 GLU CB C 30.993 0.000 1 1588 159 160 GLU CG C 33.772 0.000 1 1589 159 160 GLU N N 125.580 0.000 1 1590 160 161 PRO HA H 4.556 0.000 1 1591 160 161 PRO HB2 H 2.410 0.000 2 1592 160 161 PRO HB3 H 2.524 0.000 2 1593 160 161 PRO HG2 H 1.837 0.000 2 1594 160 161 PRO HG3 H 1.730 0.000 2 1595 160 161 PRO HD2 H 3.687 0.000 2 1596 160 161 PRO C C 177.410 0.000 1 1597 161 162 PHE H H 9.424 0.000 1 1598 161 162 PHE HA H 4.381 0.000 1 1599 161 162 PHE HB2 H 3.602 0.000 2 1600 161 162 PHE HB3 H 2.740 0.000 2 1601 161 162 PHE HD1 H 7.276 0.000 3 1602 161 162 PHE HD2 H 7.344 0.000 3 1603 161 162 PHE HE1 H 6.730 0.000 3 1604 161 162 PHE HE2 H 6.989 0.000 3 1605 161 162 PHE C C 176.740 0.000 1 1606 161 162 PHE CA C 61.910 0.000 1 1607 161 162 PHE CB C 38.608 0.000 1 1608 161 162 PHE N N 128.041 0.000 1 1609 162 163 ARG H H 8.989 0.000 1 1610 162 163 ARG HA H 3.711 0.000 1 1611 162 163 ARG HB2 H 1.754 0.000 2 1612 162 163 ARG HB3 H 1.933 0.000 2 1613 162 163 ARG HG2 H 1.736 0.000 2 1614 162 163 ARG HG3 H 1.710 0.000 2 1615 162 163 ARG HD2 H 2.966 0.000 2 1616 162 163 ARG HD3 H 2.902 0.000 2 1617 162 163 ARG C C 177.162 0.000 1 1618 162 163 ARG CA C 59.695 0.000 1 1619 162 163 ARG CB C 29.646 0.505 1 1620 162 163 ARG CG C 26.600 0.000 1 1621 162 163 ARG CD C 43.294 0.000 1 1622 162 163 ARG N N 115.115 0.000 1 1623 163 164 ASP H H 6.863 0.000 1 1624 163 164 ASP HA H 4.302 0.001 1 1625 163 164 ASP HB2 H 2.754 0.000 2 1626 163 164 ASP HB3 H 2.660 0.000 2 1627 163 164 ASP C C 178.055 0.000 1 1628 163 164 ASP CA C 56.474 0.000 1 1629 163 164 ASP CB C 39.644 0.000 1 1630 163 164 ASP N N 118.239 0.000 1 1631 164 165 TYR H H 7.469 0.000 1 1632 164 165 TYR HA H 4.455 0.000 1 1633 164 165 TYR HB2 H 3.072 0.000 2 1634 164 165 TYR HB3 H 2.781 0.008 2 1635 164 165 TYR C C 177.459 0.000 1 1636 164 165 TYR CA C 57.217 0.000 1 1637 164 165 TYR CB C 37.729 0.000 1 1638 164 165 TYR N N 124.174 0.000 1 1639 165 166 VAL H H 8.153 0.000 1 1640 165 166 VAL HA H 2.690 0.000 1 1641 165 166 VAL HB H 1.743 0.000 1 1642 165 166 VAL HG1 H 0.859 0.001 . 1643 165 166 VAL HG2 H 0.148 0.000 . 1644 165 166 VAL C C 177.658 0.000 1 1645 165 166 VAL CA C 66.013 0.000 1 1646 165 166 VAL CB C 30.857 0.000 1 1647 165 166 VAL CG1 C 19.142 0.000 2 1648 165 166 VAL CG2 C 23.378 0.000 2 1649 165 166 VAL N N 119.955 0.000 1 1650 166 167 ASP H H 7.444 0.000 1 1651 166 167 ASP HA H 4.389 0.000 1 1652 166 167 ASP HB2 H 2.831 0.001 2 1653 166 167 ASP HB3 H 2.635 0.001 2 1654 166 167 ASP C C 176.219 0.000 1 1655 166 167 ASP CA C 57.220 0.000 1 1656 166 167 ASP CB C 40.220 0.000 1 1657 166 167 ASP N N 117.302 0.000 1 1658 167 168 ARG H H 7.845 0.001 1 1659 167 168 ARG HA H 4.114 0.001 1 1660 167 168 ARG HB2 H 1.954 0.006 2 1661 167 168 ARG HB3 H 1.807 0.005 2 1662 167 168 ARG HG2 H 2.303 0.000 2 1663 167 168 ARG HG3 H 2.168 0.000 2 1664 167 168 ARG HD2 H 2.963 0.000 2 1665 167 168 ARG HD3 H 2.913 0.000 2 1666 167 168 ARG C C 176.293 0.000 1 1667 167 168 ARG CA C 59.402 0.000 1 1668 167 168 ARG CB C 30.114 0.000 1 1669 167 168 ARG CG C 29.235 0.000 1 1670 167 168 ARG CD C 41.244 0.000 1 1671 167 168 ARG N N 119.489 0.000 1 1672 168 169 PHE H H 8.912 0.000 1 1673 168 169 PHE HA H 3.804 0.000 1 1674 168 169 PHE HB2 H 2.853 0.000 2 1675 168 169 PHE HB3 H 2.208 0.000 2 1676 168 169 PHE HD1 H 6.292 0.000 3 1677 168 169 PHE HD2 H 6.243 0.000 3 1678 168 169 PHE HE1 H 6.823 0.000 3 1679 168 169 PHE HE2 H 6.950 0.006 3 1680 168 169 PHE HZ H 6.702 0.000 1 1681 168 169 PHE C C 177.087 0.000 1 1682 168 169 PHE CA C 61.453 0.000 1 1683 168 169 PHE CB C 36.715 0.000 1 1684 168 169 PHE N N 123.864 0.000 1 1685 169 170 TYR H H 8.517 0.000 1 1686 169 170 TYR HA H 4.033 0.001 1 1687 169 170 TYR HB2 H 3.006 0.000 2 1688 169 170 TYR HB3 H 2.913 0.000 2 1689 169 170 TYR HD1 H 7.231 0.000 3 1690 169 170 TYR HD2 H 7.308 0.000 3 1691 169 170 TYR HE1 H 6.631 0.007 3 1692 169 170 TYR HE2 H 6.702 0.000 3 1693 169 170 TYR C C 175.673 0.000 1 1694 169 170 TYR CA C 61.317 0.000 1 1695 169 170 TYR CB C 36.703 0.000 1 1696 169 170 TYR N N 116.052 0.000 1 1697 170 171 LYS H H 8.295 0.000 1 1698 170 171 LYS HA H 3.978 0.004 1 1699 170 171 LYS HB2 H 1.928 0.001 2 1700 170 171 LYS HB3 H 1.822 0.009 2 1701 170 171 LYS HG2 H 1.569 0.000 2 1702 170 171 LYS HG3 H 1.390 0.000 2 1703 170 171 LYS HD2 H 1.699 0.000 2 1704 170 171 LYS HE2 H 2.989 0.000 2 1705 170 171 LYS HE3 H 2.904 0.002 2 1706 170 171 LYS C C 176.219 0.000 1 1707 170 171 LYS CA C 59.695 0.000 1 1708 170 171 LYS CB C 31.871 0.000 1 1709 170 171 LYS CG C 24.842 0.000 1 1710 170 171 LYS CD C 27.929 0.000 1 1711 170 171 LYS CE C 43.587 0.000 1 1712 170 171 LYS N N 121.676 0.000 1 1713 171 172 THR H H 7.607 0.001 1 1714 171 172 THR HA H 3.951 0.000 1 1715 171 172 THR HB H 4.056 0.000 1 1716 171 172 THR HG2 H 0.909 0.000 . 1717 171 172 THR C C 179.096 0.000 1 1718 171 172 THR CA C 66.432 0.000 1 1719 171 172 THR CB C 67.896 0.000 1 1720 171 172 THR CG2 C 20.742 0.000 1 1721 171 172 THR N N 116.791 0.000 1 1722 172 173 LEU H H 7.874 0.000 1 1723 172 173 LEU HA H 3.820 0.000 1 1724 172 173 LEU HB2 H 1.892 0.000 2 1725 172 173 LEU HB3 H 1.522 0.286 2 1726 172 173 LEU HG H 1.485 0.008 1 1727 172 173 LEU HD1 H 0.568 0.008 . 1728 172 173 LEU HD2 H 0.672 0.008 . 1729 172 173 LEU C C 176.913 0.000 1 1730 172 173 LEU CA C 57.352 0.000 1 1731 172 173 LEU CB C 41.537 0.000 1 1732 172 173 LEU CG C 25.721 0.000 1 1733 172 173 LEU CD1 C 22.499 0.000 2 1734 172 173 LEU CD2 C 23.806 0.000 2 1735 172 173 LEU N N 122.768 0.000 1 1736 173 174 ARG H H 7.899 0.002 1 1737 173 174 ARG HA H 4.135 0.000 1 1738 173 174 ARG HB2 H 1.959 0.000 2 1739 173 174 ARG HB3 H 1.832 0.008 2 1740 173 174 ARG HG2 H 1.577 0.000 2 1741 173 174 ARG HD2 H 3.190 0.004 2 1742 173 174 ARG HD3 H 2.873 0.000 2 1743 173 174 ARG C C 178.055 0.000 1 1744 173 174 ARG CA C 57.645 0.000 1 1745 173 174 ARG CB C 29.235 0.000 1 1746 173 174 ARG CG C 32.029 0.000 1 1747 173 174 ARG CD C 42.573 0.000 1 1748 173 174 ARG N N 116.663 0.064 1 1749 174 175 ALA H H 7.520 0.000 1 1750 174 175 ALA HA H 4.210 0.002 1 1751 174 175 ALA HB H 1.394 0.000 . 1752 174 175 ALA C C 175.648 0.000 1 1753 174 175 ALA CA C 52.959 0.000 1 1754 174 175 ALA CB C 17.520 0.000 1 1755 174 175 ALA N N 121.051 0.000 1 1756 175 176 GLU H H 7.782 0.000 1 1757 175 176 GLU HA H 4.239 0.000 1 1758 175 176 GLU HB2 H 2.031 0.001 2 1759 175 176 GLU HB3 H 1.958 0.001 2 1760 175 176 GLU HG2 H 2.344 0.001 2 1761 175 176 GLU HG3 H 2.223 0.000 2 1762 175 176 GLU C C 176.765 0.000 1 1763 175 176 GLU CA C 55.888 0.000 1 1764 175 176 GLU CB C 29.082 0.000 1 1765 175 176 GLU CG C 36.116 0.000 1 1766 175 176 GLU N N 117.846 0.000 1 1767 176 177 GLN H H 8.089 0.000 1 1768 176 177 GLN HA H 4.163 0.000 1 1769 176 177 GLN HB2 H 2.099 0.009 2 1770 176 177 GLN HB3 H 1.977 0.002 2 1771 176 177 GLN HG2 H 2.366 0.016 2 1772 176 177 GLN HG3 H 2.257 0.016 2 1773 176 177 GLN C C 178.551 0.000 1 1774 176 177 GLN CA C 55.595 0.000 1 1775 176 177 GLN CB C 27.982 0.077 1 1776 176 177 GLN CG C 33.838 0.074 1 1777 176 177 GLN N N 118.239 0.000 1 1778 177 178 ALA H H 7.859 0.000 1 1779 177 178 ALA HA H 4.285 0.000 1 1780 177 178 ALA HB H 1.329 0.000 . 1781 177 178 ALA C C 176.616 0.000 1 1782 177 178 ALA CA C 53.720 2.009 1 1783 177 178 ALA CB C 17.944 0.000 1 1784 177 178 ALA N N 122.768 0.000 1 1785 178 179 SER H H 8.086 0.000 1 1786 178 179 SER HA H 4.356 0.007 1 1787 178 179 SER HB2 H 4.035 0.001 2 1788 178 179 SER HB3 H 3.883 0.003 2 1789 178 179 SER C C 174.706 0.000 1 1790 178 179 SER CA C 57.645 0.000 1 1791 178 179 SER CB C 63.796 0.000 1 1792 178 179 SER N N 114.490 0.000 1 1793 179 180 GLN H H 8.469 0.000 1 1794 179 180 GLN HA H 4.135 0.000 1 1795 179 180 GLN HB2 H 2.054 0.002 2 1796 179 180 GLN HB3 H 1.978 0.001 2 1797 179 180 GLN HG2 H 2.366 0.001 2 1798 179 180 GLN HG3 H 2.329 0.000 2 1799 179 180 GLN C C 177.286 0.000 1 1800 179 180 GLN CA C 56.474 0.000 1 1801 179 180 GLN CB C 28.064 0.000 1 1802 179 180 GLN CG C 36.051 0.072 1 1803 179 180 GLN N N 120.739 0.000 1 1804 180 181 GLU H H 8.387 0.000 1 1805 180 181 GLU HA H 4.199 0.000 1 1806 180 181 GLU HB2 H 2.034 0.000 2 1807 180 181 GLU HB3 H 1.810 0.000 2 1808 180 181 GLU HG2 H 2.315 0.000 2 1809 180 181 GLU HG3 H 2.243 0.000 2 1810 180 181 GLU C C 177.583 0.000 1 1811 180 181 GLU CA C 57.059 0.000 1 1812 180 181 GLU CB C 28.650 0.000 1 1813 180 181 GLU CG C 35.972 0.000 1 1814 180 181 GLU N N 118.864 0.000 1 1815 181 182 VAL H H 7.685 0.000 1 1816 181 182 VAL HA H 3.917 0.000 1 1817 181 182 VAL HB H 1.940 0.000 1 1818 181 182 VAL HG1 H 0.913 0.000 . 1819 181 182 VAL HG2 H 0.796 0.002 . 1820 181 182 VAL C C 178.228 0.000 1 1821 181 182 VAL CA C 62.917 0.000 1 1822 181 182 VAL CB C 31.647 0.284 1 1823 181 182 VAL CG1 C 22.071 0.000 2 1824 181 182 VAL CG2 C 22.071 0.000 2 1825 181 182 VAL N N 120.114 0.000 1 1826 182 183 LYS H H 8.447 0.002 1 1827 182 183 LYS HA H 4.129 0.000 1 1828 182 183 LYS HB2 H 1.998 0.001 2 1829 182 183 LYS HB3 H 1.758 0.001 2 1830 182 183 LYS HG2 H 1.430 0.001 2 1831 182 183 LYS HG3 H 1.316 0.001 2 1832 182 183 LYS HD2 H 1.518 0.002 2 1833 182 183 LYS HE2 H 2.907 0.000 2 1834 182 183 LYS HE3 H 2.768 0.000 2 1835 182 183 LYS C C 177.930 0.000 1 1836 182 183 LYS CA C 56.766 0.000 1 1837 182 183 LYS CB C 31.579 0.000 1 1838 182 183 LYS CG C 24.549 0.000 1 1839 182 183 LYS CD C 28.064 0.000 1 1840 182 183 LYS CE C 42.122 0.000 1 1841 182 183 LYS N N 118.552 0.000 1 1842 183 184 ASN H H 8.464 0.000 1 1843 183 184 ASN HA H 4.670 0.000 1 1844 183 184 ASN HB2 H 2.906 0.000 2 1845 183 184 ASN HB3 H 2.806 0.000 2 1846 183 184 ASN C C 178.327 0.000 1 1847 183 184 ASN CA C 53.545 0.000 1 1848 183 184 ASN CB C 37.729 0.000 1 1849 183 184 ASN N N 118.864 0.000 1 1850 184 185 ALA H H 8.087 0.000 1 1851 184 185 ALA HA H 4.187 0.000 1 1852 184 185 ALA HB H 1.403 0.008 . 1853 184 185 ALA C C 175.896 0.000 1 1854 184 185 ALA CA C 52.666 0.000 1 1855 184 185 ALA CB C 17.520 0.000 1 1856 184 185 ALA N N 122.301 0.000 1 1857 185 186 ALA H H 8.254 0.003 1 1858 185 186 ALA HA H 4.295 0.003 1 1859 185 186 ALA HB H 1.414 0.000 . 1860 185 186 ALA C C 176.070 0.000 1 1861 185 186 ALA CA C 52.959 0.000 1 1862 185 186 ALA CB C 17.227 0.000 1 1863 185 186 ALA N N 121.989 0.000 1 1864 186 187 THR H H 8.093 0.000 1 1865 186 187 THR HA H 3.932 0.000 1 1866 186 187 THR HB H 4.245 0.001 1 1867 186 187 THR HG2 H 1.294 0.000 . 1868 186 187 THR C C 180.064 0.000 1 1869 186 187 THR CA C 64.246 0.000 1 1870 186 187 THR CB C 68.482 0.000 1 1871 186 187 THR CG2 C 20.899 0.000 1 1872 186 187 THR N N 114.177 0.000 1 1873 187 188 GLU H H 8.398 0.003 1 1874 187 188 GLU HA H 4.037 0.001 1 1875 187 188 GLU HB2 H 2.076 0.007 2 1876 187 188 GLU HB3 H 1.976 0.028 2 1877 187 188 GLU HG2 H 2.395 0.010 2 1878 187 188 GLU HG3 H 2.323 0.003 2 1879 187 188 GLU C C 177.831 0.000 1 1880 187 188 GLU CA C 58.524 0.000 1 1881 187 188 GLU CB C 28.064 0.000 1 1882 187 188 GLU CG C 36.265 0.000 1 1883 187 188 GLU N N 118.864 0.000 1 1884 188 189 THR H H 7.636 0.003 1 1885 188 189 THR HA H 3.956 0.007 1 1886 188 189 THR HB H 4.202 0.000 1 1887 188 189 THR HG2 H 1.288 0.000 . 1888 188 189 THR C C 176.268 0.000 1 1889 188 189 THR CA C 64.381 0.000 1 1890 188 189 THR CB C 68.482 0.000 1 1891 188 189 THR CG2 C 20.314 0.000 1 1892 188 189 THR N N 111.677 0.000 1 1893 189 190 LEU H H 7.878 0.000 1 1894 189 190 LEU HA H 4.105 0.001 1 1895 189 190 LEU HB2 H 2.143 0.001 2 1896 189 190 LEU HB3 H 1.928 0.002 2 1897 189 190 LEU HG H 2.063 0.005 1 1898 189 190 LEU HD1 H 0.882 0.007 . 1899 189 190 LEU HD2 H 0.934 0.006 . 1900 189 190 LEU C C 177.261 0.000 1 1901 189 190 LEU CA C 56.766 0.000 1 1902 189 190 LEU CB C 41.829 0.000 1 1903 189 190 LEU CG C 26.892 0.000 1 1904 189 190 LEU CD1 C 24.256 0.000 2 1905 189 190 LEU CD2 C 25.135 0.000 2 1906 189 190 LEU N N 122.301 0.000 1 1907 190 191 LEU H H 7.512 0.000 1 1908 190 191 LEU HA H 3.521 0.000 1 1909 190 191 LEU HB2 H 1.575 0.000 2 1910 190 191 LEU HB3 H 1.436 0.000 2 1911 190 191 LEU HG H 1.094 0.000 1 1912 190 191 LEU HD1 H -0.121 0.000 . 1913 190 191 LEU HD2 H 0.671 0.005 . 1914 190 191 LEU C C 177.583 0.000 1 1915 190 191 LEU CA C 57.220 0.000 1 1916 190 191 LEU CB C 41.392 0.000 1 1917 190 191 LEU CG C 26.307 0.000 1 1918 190 191 LEU CD1 C 23.378 0.000 2 1919 190 191 LEU CD2 C 25.135 0.000 2 1920 190 191 LEU N N 119.489 0.000 1 1921 191 192 VAL H H 7.480 0.000 1 1922 191 192 VAL HA H 3.604 0.000 1 1923 191 192 VAL HB H 1.976 0.000 1 1924 191 192 VAL HG1 H 0.746 0.000 . 1925 191 192 VAL HG2 H 0.982 0.000 . 1926 191 192 VAL C C 177.286 0.000 1 1927 191 192 VAL CA C 66.013 0.000 1 1928 191 192 VAL CB C 31.286 0.000 1 1929 191 192 VAL CG1 C 22.499 0.000 2 1930 191 192 VAL CG2 C 21.442 0.047 2 1931 191 192 VAL N N 116.364 0.000 1 1932 192 193 GLN H H 7.765 0.000 1 1933 192 193 GLN HA H 3.831 0.000 1 1934 192 193 GLN HB2 H 2.106 0.000 2 1935 192 193 GLN HB3 H 2.033 0.000 2 1936 192 193 GLN HG2 H 2.374 0.000 2 1937 192 193 GLN HG3 H 2.283 0.008 2 1938 192 193 GLN C C 177.534 0.000 1 1939 192 193 GLN CA C 58.974 0.000 1 1940 192 193 GLN CB C 30.857 0.000 1 1941 192 193 GLN CG C 33.922 0.000 1 1942 192 193 GLN N N 116.403 0.170 1 1943 193 194 ASN H H 7.768 0.000 1 1944 193 194 ASN HA H 4.827 0.000 1 1945 193 194 ASN HB2 H 3.448 0.000 2 1946 193 194 ASN HB3 H 3.268 0.000 2 1947 193 194 ASN C C 181.379 0.000 1 1948 193 194 ASN CA C 52.080 0.000 1 1949 193 194 ASN CB C 37.729 0.000 1 1950 193 194 ASN N N 115.115 0.000 1 1951 194 195 ALA H H 7.217 0.002 1 1952 194 195 ALA HA H 4.270 0.000 1 1953 194 195 ALA HB H 1.610 0.000 . 1954 194 195 ALA C C 175.648 0.000 1 1955 194 195 ALA CA C 51.202 0.000 1 1956 194 195 ALA CB C 18.556 0.000 1 1957 194 195 ALA N N 124.176 0.000 1 1958 195 196 ASN H H 8.992 0.000 1 1959 195 196 ASN HA H 4.534 0.000 1 1960 195 196 ASN HB2 H 3.207 0.000 2 1961 195 196 ASN HB3 H 3.131 0.000 2 1962 195 196 ASN CA C 50.909 0.000 1 1963 195 196 ASN CB C 34.800 0.000 1 1964 195 196 ASN N N 119.177 0.000 1 1965 196 197 PRO HA H 4.269 0.000 1 1966 196 197 PRO HB2 H 1.921 0.005 2 1967 196 197 PRO HB3 H 2.248 0.000 2 1968 196 197 PRO HG2 H 1.790 0.003 2 1969 196 197 PRO HD2 H 3.782 0.000 2 1970 196 197 PRO C C 178.824 0.000 1 1971 196 197 PRO CA C 65.553 0.000 1 1972 196 197 PRO CB C 31.579 0.000 1 1973 196 197 PRO CG C 27.771 0.000 1 1974 196 197 PRO CD C 50.909 0.000 1 1975 197 198 ASP H H 7.623 0.000 1 1976 197 198 ASP HA H 4.292 0.000 1 1977 197 198 ASP HB2 H 2.672 0.000 2 1978 197 198 ASP HB3 H 2.562 0.003 2 1979 197 198 ASP C C 179.022 0.000 1 1980 197 198 ASP CA C 56.307 0.145 1 1981 197 198 ASP CB C 40.806 0.000 1 1982 197 198 ASP N N 114.802 0.000 1 1983 198 199 CYS H H 8.469 0.000 1 1984 198 199 CYS HA H 4.243 0.000 1 1985 198 199 CYS HB2 H 3.180 0.005 2 1986 198 199 CYS HB3 H 2.900 0.006 2 1987 198 199 CYS C C 176.343 0.000 1 1988 198 199 CYS CA C 62.917 0.000 1 1989 198 199 CYS CB C 27.323 0.000 1 1990 198 199 CYS N N 115.739 0.000 1 1991 199 200 LYS H H 9.401 0.000 1 1992 199 200 LYS HA H 4.202 0.000 1 1993 199 200 LYS HB2 H 1.822 0.001 2 1994 199 200 LYS HB3 H 1.711 0.000 2 1995 199 200 LYS HG2 H 1.633 0.000 2 1996 199 200 LYS HG3 H 1.547 0.000 2 1997 199 200 LYS HD2 H 1.694 0.003 2 1998 199 200 LYS HE2 H 2.937 0.000 2 1999 199 200 LYS HE3 H 2.498 0.000 2 2000 199 200 LYS C C 176.616 0.000 1 2001 199 200 LYS CA C 59.560 0.000 1 2002 199 200 LYS CB C 31.579 0.000 1 2003 199 200 LYS CG C 25.135 0.000 1 2004 199 200 LYS CD C 29.082 0.000 1 2005 199 200 LYS CE C 42.122 0.000 1 2006 199 200 LYS N N 121.051 0.000 1 2007 200 201 THR H H 7.512 0.000 1 2008 200 201 THR HA H 3.728 0.000 1 2009 200 201 THR HB H 4.165 0.000 1 2010 200 201 THR HG2 H 1.245 0.000 . 2011 200 201 THR C C 176.318 0.000 1 2012 200 201 THR CA C 66.139 0.000 1 2013 200 201 THR CB C 68.189 0.000 1 2014 200 201 THR CG2 C 21.485 0.000 1 2015 200 201 THR N N 112.302 0.000 1 2016 201 202 ILE H H 6.704 0.000 1 2017 201 202 ILE HA H 3.587 0.000 1 2018 201 202 ILE HB H 1.843 0.000 1 2019 201 202 ILE HG12 H 1.110 0.000 2 2020 201 202 ILE HG13 H 1.628 0.006 2 2021 201 202 ILE HG2 H 0.687 0.000 . 2022 201 202 ILE HD1 H 0.822 0.000 . 2023 201 202 ILE C C 177.261 0.000 1 2024 201 202 ILE CA C 64.246 0.000 1 2025 201 202 ILE CB C 37.143 0.000 1 2026 201 202 ILE CG1 C 27.929 0.000 1 2027 201 202 ILE CG2 C 18.399 0.000 1 2028 201 202 ILE CD1 C 13.713 0.000 1 2029 201 202 ILE N N 121.676 0.000 1 2030 202 203 LEU H H 8.421 0.000 1 2031 202 203 LEU HA H 3.682 0.000 1 2032 202 203 LEU HB2 H 1.525 0.002 2 2033 202 203 LEU HB3 H 1.461 0.002 2 2034 202 203 LEU HG H 1.307 0.001 1 2035 202 203 LEU HD1 H 0.901 0.005 . 2036 202 203 LEU HD2 H 0.632 0.006 . 2037 202 203 LEU C C 178.228 0.000 1 2038 202 203 LEU CA C 56.766 0.000 1 2039 202 203 LEU CB C 41.829 0.000 1 2040 202 203 LEU CG C 26.014 0.000 1 2041 202 203 LEU CD1 C 23.242 0.000 2 2042 202 203 LEU CD2 C 23.242 0.000 2 2043 202 203 LEU N N 118.239 0.000 1 2044 203 204 LYS H H 8.403 0.000 1 2045 203 204 LYS HA H 3.936 0.000 1 2046 203 204 LYS HB2 H 1.808 0.003 2 2047 203 204 LYS HB3 H 1.771 0.001 2 2048 203 204 LYS HG2 H 1.420 0.058 2 2049 203 204 LYS HG3 H 1.490 0.098 2 2050 203 204 LYS HD2 H 1.648 0.001 2 2051 203 204 LYS HE2 H 2.877 0.004 2 2052 203 204 LYS HE3 H 2.826 0.011 2 2053 203 204 LYS C C 178.253 0.000 1 2054 203 204 LYS CA C 58.231 0.000 1 2055 203 204 LYS CB C 30.993 0.000 1 2056 203 204 LYS CG C 25.135 0.000 1 2057 203 204 LYS CD C 29.100 0.000 1 2058 203 204 LYS CE C 41.244 0.000 1 2059 203 204 LYS N N 118.425 0.486 1 2060 204 205 ALA H H 7.061 0.000 1 2061 204 205 ALA HA H 4.181 0.003 1 2062 204 205 ALA HB H 1.459 0.012 . 2063 204 205 ALA C C 178.699 0.000 1 2064 204 205 ALA CA C 53.116 0.000 1 2065 204 205 ALA CB C 17.227 0.000 1 2066 204 205 ALA N N 119.177 0.000 1 2067 205 206 LEU H H 7.329 0.000 1 2068 205 206 LEU HA H 4.094 0.000 1 2069 205 206 LEU HB2 H 1.872 0.007 2 2070 205 206 LEU HB3 H 1.757 0.000 2 2071 205 206 LEU HG H 1.377 0.000 1 2072 205 206 LEU HD1 H 0.733 0.000 . 2073 205 206 LEU HD2 H 0.712 0.009 . 2074 205 206 LEU C C 178.303 0.000 1 2075 205 206 LEU CA C 56.045 0.000 1 2076 205 206 LEU CB C 41.392 0.000 1 2077 205 206 LEU CG C 25.585 0.000 1 2078 205 206 LEU CD1 C 22.499 0.000 2 2079 205 206 LEU CD2 C 25.721 0.000 2 2080 205 206 LEU N N 117.302 0.000 1 2081 206 207 GLY H H 7.355 0.000 1 2082 206 207 GLY HA2 H 4.235 0.000 2 2083 206 207 GLY HA3 H 3.869 0.000 2 2084 206 207 GLY CA C 43.880 0.000 1 2085 206 207 GLY N N 103.866 0.000 1 2086 207 208 PRO HA H 4.451 0.000 1 2087 207 208 PRO HB2 H 1.965 0.000 2 2088 207 208 PRO HB3 H 2.236 0.000 2 2089 207 208 PRO HG2 H 1.894 0.000 2 2090 207 208 PRO HG3 H 1.835 0.000 2 2091 207 208 PRO HD2 H 3.648 0.000 2 2092 207 208 PRO C C 178.055 0.000 1 2093 207 208 PRO CA C 62.917 0.000 1 2094 207 208 PRO CB C 30.700 0.000 1 2095 207 208 PRO CG C 26.892 0.000 1 2096 207 208 PRO CD C 50.030 0.000 1 2097 208 209 GLY H H 8.684 0.000 1 2098 208 209 GLY HA2 H 3.908 0.000 2 2099 208 209 GLY HA3 H 3.779 0.000 2 2100 208 209 GLY CA C 44.758 0.000 1 2101 208 209 GLY N N 109.178 0.000 1 2102 209 210 ALA H H 7.053 0.000 1 2103 209 210 ALA HA H 4.337 0.000 1 2104 209 210 ALA HB H 1.311 0.017 . 2105 209 210 ALA C C 177.608 0.000 1 2106 209 210 ALA CA C 52.531 0.000 1 2107 209 210 ALA CB C 17.970 0.000 1 2108 209 210 ALA N N 122.926 0.000 1 2109 210 211 THR H H 8.467 0.000 1 2110 210 211 THR HA H 4.356 0.000 1 2111 210 211 THR HB H 4.703 0.003 1 2112 210 211 THR HG2 H 1.360 0.007 . 2113 210 211 THR C C 174.904 0.000 1 2114 210 211 THR CA C 59.560 0.000 1 2115 210 211 THR CB C 70.703 0.000 1 2116 210 211 THR CG2 C 22.206 0.000 1 2117 210 211 THR N N 112.615 0.000 1 2118 211 212 LEU H H 8.837 0.000 1 2119 211 212 LEU HA H 4.262 0.000 1 2120 211 212 LEU HB2 H 1.632 0.002 2 2121 211 212 LEU HB3 H 1.539 0.013 2 2122 211 212 LEU HG H 1.574 0.000 1 2123 211 212 LEU HD1 H 0.796 0.000 . 2124 211 212 LEU HD2 H 0.885 0.000 . 2125 211 212 LEU C C 179.002 0.000 1 2126 211 212 LEU CA C 57.352 0.000 1 2127 211 212 LEU CB C 40.072 0.000 1 2128 211 212 LEU CG C 27.185 0.000 1 2129 211 212 LEU CD1 C 25.135 0.000 2 2130 211 212 LEU CD2 C 23.378 0.000 2 2131 211 212 LEU N N 121.989 0.000 1 2132 212 213 GLU H H 8.505 0.000 1 2133 212 213 GLU HA H 3.943 0.000 1 2134 212 213 GLU HB2 H 2.019 0.007 2 2135 212 213 GLU HB3 H 1.910 0.000 2 2136 212 213 GLU HG2 H 2.331 0.000 2 2137 212 213 GLU HG3 H 2.241 0.000 2 2138 212 213 GLU C C 181.230 0.000 1 2139 212 213 GLU CA C 59.695 0.000 1 2140 212 213 GLU CB C 28.357 0.000 1 2141 212 213 GLU CG C 35.679 0.000 1 2142 212 213 GLU N N 117.011 0.081 1 2143 213 214 GLU H H 7.690 0.000 1 2144 213 214 GLU HA H 3.874 0.000 1 2145 213 214 GLU HB2 H 1.951 0.007 2 2146 213 214 GLU HB3 H 1.857 0.002 2 2147 213 214 GLU HG2 H 2.372 0.003 2 2148 213 214 GLU HG3 H 2.306 0.002 2 2149 213 214 GLU C C 180.014 0.000 1 2150 213 214 GLU CA C 58.524 0.000 1 2151 213 214 GLU CB C 29.384 0.302 1 2152 213 214 GLU CG C 35.972 0.000 1 2153 213 214 GLU N N 120.427 0.000 1 2154 214 215 MET H H 8.446 0.000 1 2155 214 215 MET HA H 4.019 0.000 1 2156 214 215 MET HB2 H 2.227 0.182 2 2157 214 215 MET HB3 H 2.025 0.000 2 2158 214 215 MET HG2 H 2.832 0.000 2 2159 214 215 MET HG3 H 1.871 0.000 2 2160 214 215 MET C C 177.335 0.000 1 2161 214 215 MET CA C 59.695 0.000 1 2162 214 215 MET CB C 32.164 0.000 1 2163 214 215 MET CG C 32.668 0.075 1 2164 214 215 MET N N 118.552 0.000 1 2165 215 216 MET H H 8.514 0.000 1 2166 215 216 MET HA H 4.119 0.000 1 2167 215 216 MET HB2 H 2.442 0.000 2 2168 215 216 MET HB3 H 2.434 0.010 2 2169 215 216 MET HG2 H 2.360 0.000 2 2170 215 216 MET HG3 H 2.313 0.020 2 2171 215 216 MET C C 174.284 0.000 1 2172 215 216 MET CA C 58.524 0.000 1 2173 215 216 MET CB C 31.871 0.000 1 2174 215 216 MET CG C 35.093 0.000 1 2175 215 216 MET N N 116.364 0.000 1 2176 216 217 THR H H 8.255 0.000 1 2177 216 217 THR HA H 3.788 0.000 1 2178 216 217 THR HB H 4.087 0.000 1 2179 216 217 THR HG2 H 1.148 0.003 . 2180 216 217 THR C C 176.616 0.000 1 2181 216 217 THR CA C 65.553 0.000 1 2182 216 217 THR CB C 67.896 0.000 1 2183 216 217 THR CG2 C 22.206 0.000 1 2184 216 217 THR N N 116.052 0.000 1 2185 217 218 ALA H H 7.874 0.000 1 2186 217 218 ALA HA H 4.229 0.000 1 2187 217 218 ALA HB H 1.346 0.015 . 2188 217 218 ALA C C 180.064 0.000 1 2189 217 218 ALA CA C 54.289 0.000 1 2190 217 218 ALA CB C 18.106 0.000 1 2191 217 218 ALA N N 122.301 0.000 1 2192 218 219 CYS H H 7.271 0.000 1 2193 218 219 CYS HA H 4.302 0.001 1 2194 218 219 CYS HB2 H 2.895 0.004 2 2195 218 219 CYS HB3 H 2.385 0.017 2 2196 218 219 CYS C C 175.400 0.000 1 2197 218 219 CYS CA C 59.565 0.000 1 2198 218 219 CYS CB C 27.949 0.067 1 2199 218 219 CYS N N 110.115 0.000 1 2200 219 220 GLN H H 7.425 0.000 1 2201 219 220 GLN HA H 4.186 0.001 1 2202 219 220 GLN HB2 H 2.319 0.004 2 2203 219 220 GLN HB3 H 2.191 0.006 2 2204 219 220 GLN HG2 H 2.539 0.001 2 2205 219 220 GLN HG3 H 2.452 0.005 2 2206 219 220 GLN C C 176.442 0.000 1 2207 219 220 GLN CA C 57.803 0.000 1 2208 219 220 GLN CB C 27.920 0.009 1 2209 219 220 GLN CG C 32.457 0.000 1 2210 219 220 GLN N N 121.364 0.000 1 2211 220 221 GLY H H 8.597 0.000 1 2212 220 221 GLY HA2 H 3.986 0.000 2 2213 220 221 GLY HA3 H 3.861 0.003 2 2214 220 221 GLY C C 177.355 0.000 1 2215 220 221 GLY CA C 44.465 0.000 1 2216 220 221 GLY N N 109.490 0.000 1 2217 221 222 VAL H H 7.284 0.003 1 2218 221 222 VAL HA H 3.888 0.002 1 2219 221 222 VAL HB H 1.959 0.000 1 2220 221 222 VAL HG1 H 0.902 0.001 . 2221 221 222 VAL HG2 H 0.782 0.010 . 2222 221 222 VAL C C 176.938 0.000 1 2223 221 222 VAL CA C 62.624 0.000 1 2224 221 222 VAL CB C 30.407 0.000 1 2225 221 222 VAL CG1 C 22.071 0.000 2 2226 221 222 VAL CG2 C 22.071 0.000 2 2227 221 222 VAL N N 120.114 0.000 1 2228 222 223 GLY H H 8.665 0.000 1 2229 222 223 GLY HA2 H 4.080 0.001 2 2230 222 223 GLY HA3 H 3.760 0.003 2 2231 222 223 GLY C C 174.036 0.000 1 2232 222 223 GLY CA C 44.173 0.000 1 2233 222 223 GLY N N 115.427 0.000 1 2234 223 224 GLY H H 7.913 0.000 1 2235 223 224 GLY HA2 H 4.120 0.000 2 2236 223 224 GLY HA3 H 4.133 0.000 2 2237 223 224 GLY CA C 43.158 0.000 1 2238 223 224 GLY N N 107.928 0.000 1 2239 224 225 PRO HA H 4.418 0.000 1 2240 224 225 PRO HB2 H 2.188 0.000 2 2241 224 225 PRO HB3 H 2.275 0.000 2 2242 224 225 PRO HG2 H 1.987 0.000 2 2243 224 225 PRO HG3 H 1.875 0.000 2 2244 224 225 PRO HD2 H 3.560 0.000 2 2245 224 225 PRO C C 177.806 0.000 1 2246 224 225 PRO CA C 62.624 0.000 1 2247 224 225 PRO CB C 30.441 0.378 1 2248 224 225 PRO CG C 26.892 0.000 1 2249 224 225 PRO CD C 50.909 0.000 1 2250 225 226 GLY H H 8.449 0.000 1 2251 225 226 GLY HA2 H 3.915 0.003 2 2252 225 226 GLY HA3 H 3.846 0.000 2 2253 225 226 GLY C C 173.962 0.000 1 2254 225 226 GLY CA C 44.758 0.000 1 2255 225 226 GLY N N 108.553 0.000 1 2256 226 227 HIS H H 8.156 0.000 1 2257 226 227 HIS HA H 4.584 0.000 1 2258 226 227 HIS HB2 H 3.188 0.000 2 2259 226 227 HIS HB3 H 3.074 0.000 2 2260 226 227 HIS HD1 H 7.183 0.000 1 2261 226 227 HIS C C 174.433 0.000 1 2262 226 227 HIS CA C 55.302 0.000 1 2263 226 227 HIS CB C 29.100 0.000 1 2264 226 227 HIS N N 118.239 0.000 1 2265 227 228 LYS H H 8.313 0.000 1 2266 227 228 LYS HA H 4.290 0.006 1 2267 227 228 LYS HB2 H 1.752 0.000 2 2268 227 228 LYS HB3 H 1.701 0.000 2 2269 227 228 LYS HG2 H 1.355 0.023 2 2270 227 228 LYS HG3 H 1.494 0.000 2 2271 227 228 LYS HE2 H 2.934 0.000 2 2272 227 228 LYS C C 175.896 0.000 1 2273 227 228 LYS CA C 55.595 0.000 1 2274 227 228 LYS CB C 30.407 0.000 1 2275 227 228 LYS CG C 26.892 0.000 1 2276 227 228 LYS CE C 43.294 0.000 1 2277 227 228 LYS N N 121.676 0.000 1 2278 228 229 ALA H H 8.283 0.000 1 2279 228 229 ALA HA H 4.229 0.000 1 2280 228 229 ALA HB H 1.419 0.008 . 2281 228 229 ALA C C 177.509 0.000 1 2282 228 229 ALA CA C 51.202 0.000 1 2283 228 229 ALA CB C 17.813 0.000 1 2284 228 229 ALA N N 124.801 0.000 1 2285 229 230 ARG H H 8.328 0.000 1 2286 229 230 ARG HA H 4.326 0.009 1 2287 229 230 ARG HB2 H 1.742 0.001 2 2288 229 230 ARG HB3 H 1.803 0.006 2 2289 229 230 ARG HG2 H 1.655 0.005 2 2290 229 230 ARG HG3 H 1.587 0.007 2 2291 229 230 ARG HD2 H 3.022 0.000 2 2292 229 230 ARG HD3 H 3.189 0.000 2 2293 229 230 ARG C C 176.045 0.000 1 2294 229 230 ARG CA C 55.302 0.000 1 2295 229 230 ARG CB C 28.064 0.000 1 2296 229 230 ARG CG C 26.892 0.000 1 2297 229 230 ARG CD C 43.294 0.000 1 2298 229 230 ARG N N 120.427 0.000 1 2299 230 231 VAL H H 8.043 0.000 1 2300 230 231 VAL HA H 4.067 0.000 1 2301 230 231 VAL HB H 1.946 0.000 1 2302 230 231 VAL HG1 H 0.777 0.000 . 2303 230 231 VAL HG2 H 0.912 0.000 . 2304 230 231 VAL C C 173.143 0.000 1 2305 230 231 VAL CA C 61.745 0.000 1 2306 230 231 VAL CB C 31.579 0.000 1 2307 230 231 VAL CG1 C 20.742 0.000 2 2308 230 231 VAL CG2 C 20.742 0.000 2 2309 230 231 VAL N N 121.051 0.000 1 2310 231 232 LEU HA H 4.301 0.000 1 2311 231 232 LEU HB2 H 1.618 0.000 2 2312 231 232 LEU HB3 H 1.578 0.000 2 2313 231 232 LEU HG H 1.539 0.000 1 2314 231 232 LEU HD1 H 0.847 0.000 . 2315 231 232 LEU HD2 H 0.818 0.000 . 2316 231 232 LEU CA C 56.045 0.000 1 2317 231 232 LEU CB C 42.573 0.000 1 2318 231 232 LEU CG C 26.171 0.000 1 2319 231 232 LEU CD1 C 23.242 0.000 2 2320 231 232 LEU CD2 C 24.414 0.000 2 stop_ save_