data_15676 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Studies of a Pathogenic Mutant (D178N) of the Human Prion Protein ; _BMRB_accession_number 15676 _BMRB_flat_file_name bmr15676.str _Entry_type original _Submission_date 2008-02-29 _Accession_date 2008-02-29 _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 Mills Jeffrey L. . 2 Surewicz Krystyna . . 3 Surewicz Witold K. . 4 Sonnichsen Frank D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 545 "13C chemical shifts" 301 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-30 original author . stop_ _Original_release_date 2009-11-30 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title Null _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills Jeffrey L. . 2 Surewicz Krystyna . . 3 Surewicz Witold K. . 4 Sonnichsen Frank D. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword D178N 'disease mutation' FFI GSS 'M/V 129 polymorphism' 'prion protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $V129_D178N_prion_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_V129_D178N_prion_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common V129/D178N_prion_protein _Molecular_mass 16471.2 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSDPGQGGGTHSQWNKPSKP KTNMKHMAGAAAAGAVVGGL GGYVLGSAMSRPIIHFGSDY EDRYYRENMHRYPNQVYYRP MDEYSNQNNFVHNCVNITIK QHTVTTTTKGENFTETDVKM MERVVEQMCITQYERESQAY YQRGSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 86 GLY 2 87 SER 3 88 ASP 4 89 PRO 5 90 GLY 6 91 GLN 7 92 GLY 8 93 GLY 9 94 GLY 10 95 THR 11 96 HIS 12 97 SER 13 98 GLN 14 99 TRP 15 100 ASN 16 101 LYS 17 102 PRO 18 103 SER 19 104 LYS 20 105 PRO 21 106 LYS 22 107 THR 23 108 ASN 24 109 MET 25 110 LYS 26 111 HIS 27 112 MET 28 113 ALA 29 114 GLY 30 115 ALA 31 116 ALA 32 117 ALA 33 118 ALA 34 119 GLY 35 120 ALA 36 121 VAL 37 122 VAL 38 123 GLY 39 124 GLY 40 125 LEU 41 126 GLY 42 127 GLY 43 128 TYR 44 129 VAL 45 130 LEU 46 131 GLY 47 132 SER 48 133 ALA 49 134 MET 50 135 SER 51 136 ARG 52 137 PRO 53 138 ILE 54 139 ILE 55 140 HIS 56 141 PHE 57 142 GLY 58 143 SER 59 144 ASP 60 145 TYR 61 146 GLU 62 147 ASP 63 148 ARG 64 149 TYR 65 150 TYR 66 151 ARG 67 152 GLU 68 153 ASN 69 154 MET 70 155 HIS 71 156 ARG 72 157 TYR 73 158 PRO 74 159 ASN 75 160 GLN 76 161 VAL 77 162 TYR 78 163 TYR 79 164 ARG 80 165 PRO 81 166 MET 82 167 ASP 83 168 GLU 84 169 TYR 85 170 SER 86 171 ASN 87 172 GLN 88 173 ASN 89 174 ASN 90 175 PHE 91 176 VAL 92 177 HIS 93 178 ASN 94 179 CYS 95 180 VAL 96 181 ASN 97 182 ILE 98 183 THR 99 184 ILE 100 185 LYS 101 186 GLN 102 187 HIS 103 188 THR 104 189 VAL 105 190 THR 106 191 THR 107 192 THR 108 193 THR 109 194 LYS 110 195 GLY 111 196 GLU 112 197 ASN 113 198 PHE 114 199 THR 115 200 GLU 116 201 THR 117 202 ASP 118 203 VAL 119 204 LYS 120 205 MET 121 206 MET 122 207 GLU 123 208 ARG 124 209 VAL 125 210 VAL 126 211 GLU 127 212 GLN 128 213 MET 129 214 CYS 130 215 ILE 131 216 THR 132 217 GLN 133 218 TYR 134 219 GLU 135 220 ARG 136 221 GLU 137 222 SER 138 223 GLN 139 224 ALA 140 225 TYR 141 226 TYR 142 227 GLN 143 228 ARG 144 229 GLY 145 230 SER 146 231 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 16743 "HuPrP(90-231 M129 Q212P)" 97.26 148 97.89 99.30 6.41e-99 BMRB 16757 PrP^(91-231) 99.32 145 99.31 100.00 1.40e-103 BMRB 17714 HuPrP 98.63 147 97.92 100.00 3.56e-102 BMRB 17756 hPrP(121-230) 75.34 113 98.18 100.00 4.41e-74 BMRB 17780 Hpp_E219K 97.26 142 97.89 100.00 8.65e-100 BMRB 18426 entity 97.26 142 98.59 100.00 2.36e-100 BMRB 18550 V210I 98.63 147 97.92 100.00 3.56e-102 BMRB 19268 MAJOR_PRION_PROTEIN 100.00 146 97.95 100.00 3.51e-103 BMRB 4379 "human prion protein" 76.71 112 97.32 100.00 2.74e-75 BMRB 4434 "human prion protein" 96.58 143 98.58 100.00 1.28e-99 BMRB 4641 "PRION PROTEIN" 100.00 146 97.95 100.00 3.79e-103 PDB 1E1G "Human Prion Protein Variant M166v" 70.55 104 97.09 100.00 2.29e-68 PDB 1E1J "Human Prion Protein Variant M166v" 70.55 104 97.09 100.00 2.29e-68 PDB 1E1P "Human Prion Protein Variant S170n" 70.55 104 97.09 100.00 2.53e-68 PDB 1E1S "Human Prion Protein Variant S170n" 70.55 104 97.09 100.00 2.53e-68 PDB 1E1U "Human Prion Protein Variant R220k" 70.55 104 97.09 100.00 1.53e-68 PDB 1E1W "Human Prion Protein Variant R220k" 70.55 104 97.09 100.00 1.53e-68 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 97.26 142 97.89 100.00 8.65e-100 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 97.26 142 97.89 100.00 8.65e-100 PDB 1HJM "Human Prion Protein At Ph 7.0" 70.55 104 98.06 100.00 5.26e-69 PDB 1HJN "Human Prion Protein At Ph 7.0" 70.55 104 98.06 100.00 5.26e-69 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 73.97 108 98.15 100.00 9.40e-73 PDB 1QM0 "Human Prion Protein Fragment 90-230" 96.58 143 98.58 100.00 1.28e-99 PDB 1QM1 "Human Prion Protein Fragment 90-230" 96.58 143 98.58 100.00 1.28e-99 PDB 1QM2 "Human Prion Protein Fragment 121-230" 76.71 112 97.32 100.00 2.74e-75 PDB 1QM3 "Human Prion Protein Fragment 121-230" 76.71 112 97.32 100.00 2.74e-75 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 100.00 146 100.00 100.00 7.91e-105 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 97.26 148 97.89 99.30 6.41e-99 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 98.63 147 97.92 100.00 3.56e-102 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 97.26 142 97.89 100.00 8.65e-100 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 97.26 142 98.59 100.00 2.36e-100 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 98.63 147 97.92 100.00 3.56e-102 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 100.00 146 97.95 100.00 3.51e-103 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 77.40 113 98.23 100.00 1.79e-76 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 97.26 142 99.30 100.00 6.78e-101 PDB 3HAK "Human Prion Protein Variant V129" 70.55 103 99.03 100.00 1.06e-69 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 97.26 142 99.30 100.00 5.45e-101 PDB 3HER "Human Prion Protein Variant F198s With V129" 97.26 142 98.59 99.30 1.09e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 97.26 142 97.89 99.30 4.76e-99 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 97.26 142 99.30 100.00 6.78e-101 PDB 3HJX "Human Prion Protein Variant D178n With V129" 72.60 106 100.00 100.00 2.49e-72 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 76.03 111 98.20 100.00 4.94e-75 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 97.26 142 98.59 100.00 2.36e-100 DBJ BAF62360 "prion protein, transcript variant 2 [Pan troglodytes verus]" 93.84 253 97.08 100.00 4.27e-80 DBJ BAG32277 "prion [Homo sapiens]" 100.00 253 97.26 97.95 1.11e-98 DBJ BAG32279 "alternatively spliced variant form of prion [Homo sapiens]" 90.41 230 96.97 97.73 2.86e-88 DBJ BAG35206 "unnamed protein product [Homo sapiens]" 93.84 253 97.81 99.27 5.14e-80 DBJ BAG52189 "unnamed protein product [Homo sapiens]" 79.45 163 97.41 99.14 1.43e-78 EMBL CAG46869 "PRNP [Homo sapiens]" 100.00 253 97.26 97.95 1.11e-98 GB AAA68632 "major prion protein precursor [Pan troglodytes]" 93.84 253 97.08 100.00 4.27e-80 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 93.84 253 97.81 100.00 9.22e-81 GB AAC50085 "prion protein [Pan troglodytes]" 93.84 253 97.08 100.00 4.27e-80 GB AAC50088 "prion protein [Hylobates lar]" 93.84 253 97.08 100.00 4.27e-80 GB AAC50089 "prion protein [Gorilla gorilla]" 93.84 253 97.81 100.00 9.95e-81 REF NP_001009093 "major prion protein preproprotein [Pan troglodytes]" 93.84 253 97.08 100.00 4.27e-80 REF NP_001103676 "major prion protein preproprotein [Pan troglodytes]" 93.84 253 97.08 100.00 4.27e-80 REF XP_003278028 "PREDICTED: major prion protein isoform X1 [Nomascus leucogenys]" 93.84 253 97.08 100.00 4.27e-80 REF XP_003278029 "PREDICTED: major prion protein isoform X1 [Nomascus leucogenys]" 93.84 253 97.08 100.00 4.27e-80 REF XP_003278030 "PREDICTED: major prion protein isoform X1 [Nomascus leucogenys]" 93.84 253 97.08 100.00 4.27e-80 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.81 100.00 9.95e-81 SP P61766 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.08 100.00 4.27e-80 SP P61767 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.08 100.00 4.27e-80 SP P61768 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 93.84 253 97.08 100.00 4.27e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $V129_D178N_prion_protein Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $V129_D178N_prion_protein 'recombinant technology' . Escherichia coli . pRSETB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $V129_D178N_prion_protein 350 uM '[U-99% 13C; U-99% 15N]' 'sodium acetate' 10 mM 'natural abundance' 'sodium azide' 100 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 4.6 . pH pressure 1 . atm temperature 299 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name monomer _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 125 40 LEU H H 8.263 0.020 1 2 125 40 LEU HA H 4.361 0.020 1 3 125 40 LEU HB2 H 1.630 0.020 2 4 125 40 LEU HB3 H 1.575 0.020 2 5 125 40 LEU HD1 H 0.719 0.020 2 6 125 40 LEU HD2 H 0.599 0.020 2 7 125 40 LEU CA C 54.900 0.400 1 8 125 40 LEU CB C 42.394 0.400 1 9 125 40 LEU CD1 C 24.752 0.400 1 10 125 40 LEU CD2 C 23.261 0.400 1 11 125 40 LEU N N 121.748 0.400 1 12 126 41 GLY H H 8.484 0.020 1 13 126 41 GLY HA2 H 3.861 0.020 2 14 126 41 GLY HA3 H 3.920 0.020 2 15 126 41 GLY CA C 46.260 0.400 1 16 126 41 GLY N N 109.470 0.400 1 17 127 42 GLY H H 8.326 0.020 1 18 127 42 GLY HA2 H 3.749 0.020 2 19 127 42 GLY HA3 H 3.900 0.020 2 20 127 42 GLY CA C 45.226 0.400 1 21 127 42 GLY N N 109.020 0.400 1 22 128 43 TYR H H 7.692 0.020 1 23 128 43 TYR HA H 4.675 0.020 1 24 128 43 TYR HB2 H 2.890 0.020 2 25 128 43 TYR HB3 H 2.890 0.020 2 26 128 43 TYR HD1 H 6.770 0.020 1 27 128 43 TYR HD2 H 6.770 0.020 1 28 128 43 TYR HE1 H 6.613 0.020 1 29 128 43 TYR HE2 H 6.613 0.020 1 30 128 43 TYR CA C 57.271 0.400 1 31 128 43 TYR CB C 40.257 0.400 1 32 128 43 TYR CD1 C 133.012 0.400 1 33 128 43 TYR CE1 C 118.135 0.400 1 34 128 43 TYR N N 117.301 0.400 1 35 129 44 VAL H H 8.974 0.020 1 36 129 44 VAL HA H 4.344 0.020 1 37 129 44 VAL HB H 1.522 0.020 1 38 129 44 VAL HG1 H 0.390 0.020 2 39 129 44 VAL HG2 H 0.686 0.020 2 40 129 44 VAL CA C 59.555 0.400 1 41 129 44 VAL CB C 34.728 0.400 1 42 129 44 VAL CG1 C 19.357 0.400 1 43 129 44 VAL CG2 C 21.028 0.400 1 44 129 44 VAL N N 118.589 0.400 1 45 130 45 LEU H H 8.029 0.020 1 46 130 45 LEU HD1 H 0.581 0.020 2 47 130 45 LEU HD2 H 0.003 0.020 2 48 130 45 LEU CD1 C 25.473 0.400 1 49 130 45 LEU CD2 C 21.906 0.400 1 50 130 45 LEU N N 123.350 0.400 1 51 131 46 GLY H H 9.278 0.020 1 52 131 46 GLY CA C 44.842 0.400 1 53 131 46 GLY N N 114.623 0.400 1 54 132 47 SER H H 8.315 0.020 1 55 132 47 SER HA H 4.438 0.020 1 56 132 47 SER HB2 H 4.012 0.020 2 57 132 47 SER HB3 H 3.939 0.020 2 58 132 47 SER CA C 58.520 0.400 1 59 132 47 SER CB C 64.166 0.400 1 60 132 47 SER N N 113.038 0.400 1 61 133 48 ALA H H 8.736 0.020 1 62 133 48 ALA HA H 4.425 0.020 1 63 133 48 ALA HB H 1.285 0.020 1 64 133 48 ALA CA C 53.090 0.400 1 65 133 48 ALA CB C 18.465 0.400 1 66 133 48 ALA N N 125.270 0.400 1 67 134 49 MET H H 8.758 0.020 1 68 134 49 MET HA H 4.754 0.020 1 69 134 49 MET HB2 H 1.994 0.020 2 70 134 49 MET HB3 H 1.994 0.020 2 71 134 49 MET HE H 2.158 0.020 1 72 134 49 MET HG2 H 2.462 0.020 2 73 134 49 MET HG3 H 2.424 0.020 2 74 134 49 MET CA C 53.972 0.400 1 75 134 49 MET CB C 37.222 0.400 1 76 134 49 MET CE C 17.464 0.400 1 77 134 49 MET CG C 30.989 0.400 1 78 134 49 MET N N 120.911 0.400 1 79 135 50 SER H H 8.430 0.020 1 80 135 50 SER HA H 4.356 0.020 1 81 135 50 SER HB2 H 3.840 0.020 2 82 135 50 SER HB3 H 3.753 0.020 2 83 135 50 SER CA C 58.630 0.400 1 84 135 50 SER CB C 63.575 0.400 1 85 135 50 SER N N 116.162 0.400 1 86 136 51 ARG H H 8.646 0.020 1 87 136 51 ARG HA H 4.434 0.020 1 88 136 51 ARG HB2 H 1.875 0.020 2 89 136 51 ARG HB3 H 1.791 0.020 2 90 136 51 ARG HD2 H 3.189 0.020 2 91 136 51 ARG HD3 H 3.106 0.020 2 92 136 51 ARG HE H 6.749 0.020 1 93 136 51 ARG HG2 H 1.707 0.020 2 94 136 51 ARG HG3 H 1.707 0.020 2 95 136 51 ARG CA C 54.863 0.400 1 96 136 51 ARG CB C 30.519 0.400 1 97 136 51 ARG CD C 43.463 0.400 1 98 136 51 ARG CG C 29.110 0.400 1 99 136 51 ARG N N 126.460 0.400 1 100 136 51 ARG NE N 85.476 0.400 1 101 137 52 PRO HA H 4.413 0.020 1 102 137 52 PRO HB2 H 2.275 0.020 2 103 137 52 PRO HB3 H 1.731 0.020 2 104 137 52 PRO HD2 H 3.861 0.020 2 105 137 52 PRO HD3 H 3.784 0.020 2 106 137 52 PRO HG2 H 1.745 0.020 2 107 137 52 PRO HG3 H 1.745 0.020 2 108 137 52 PRO CA C 62.198 0.400 1 109 137 52 PRO CB C 32.165 0.400 1 110 137 52 PRO CD C 50.838 0.400 1 111 137 52 PRO CG C 27.531 0.400 1 112 138 53 ILE H H 8.647 0.020 1 113 138 53 ILE HA H 4.160 0.020 1 114 138 53 ILE HB H 1.907 0.020 1 115 138 53 ILE HD1 H 0.886 0.020 1 116 138 53 ILE HG12 H 1.586 0.020 2 117 138 53 ILE HG13 H 1.373 0.020 2 118 138 53 ILE HG2 H 0.729 0.020 1 119 138 53 ILE CA C 60.851 0.400 1 120 138 53 ILE CB C 36.101 0.400 1 121 138 53 ILE CD1 C 11.054 0.400 1 122 138 53 ILE CG1 C 27.209 0.400 1 123 138 53 ILE CG2 C 17.247 0.400 1 124 138 53 ILE N N 122.534 0.400 1 125 139 54 ILE H H 6.485 0.020 1 126 139 54 ILE HA H 3.926 0.020 1 127 139 54 ILE HB H 0.853 0.020 1 128 139 54 ILE HD1 H 0.466 0.020 1 129 139 54 ILE HG12 H 0.915 0.020 2 130 139 54 ILE HG13 H 0.764 0.020 2 131 139 54 ILE HG2 H -0.057 0.020 1 132 139 54 ILE CA C 58.665 0.400 1 133 139 54 ILE CB C 39.251 0.400 1 134 139 54 ILE CD1 C 12.415 0.400 1 135 139 54 ILE CG1 C 26.518 0.400 1 136 139 54 ILE CG2 C 17.019 0.400 1 137 139 54 ILE N N 126.733 0.400 1 138 140 55 HIS H H 8.249 0.020 1 139 140 55 HIS HA H 4.935 0.020 1 140 140 55 HIS HB2 H 3.278 0.020 2 141 140 55 HIS HB3 H 2.939 0.020 2 142 140 55 HIS HD2 H 7.244 0.020 1 143 140 55 HIS CA C 54.209 0.400 1 144 140 55 HIS CB C 29.326 0.400 1 145 140 55 HIS CD2 C 120.066 0.400 1 146 140 55 HIS N N 122.048 0.400 1 147 141 56 PHE H H 10.205 0.020 1 148 141 56 PHE HA H 4.360 0.020 1 149 141 56 PHE HB2 H 3.333 0.020 2 150 141 56 PHE HB3 H 2.805 0.020 2 151 141 56 PHE CA C 59.367 0.400 1 152 141 56 PHE CB C 41.594 0.400 1 153 141 56 PHE N N 124.145 0.400 1 154 142 57 GLY H H 9.008 0.020 1 155 142 57 GLY HA2 H 3.835 0.020 2 156 142 57 GLY HA3 H 4.168 0.020 2 157 142 57 GLY CA C 45.777 0.400 1 158 142 57 GLY N N 108.268 0.400 1 159 143 58 SER H H 7.327 0.020 1 160 143 58 SER HA H 4.820 0.020 1 161 143 58 SER HB2 H 4.130 0.020 2 162 143 58 SER HB3 H 3.919 0.020 2 163 143 58 SER CA C 56.405 0.400 1 164 143 58 SER CB C 66.034 0.400 1 165 143 58 SER N N 111.827 0.400 1 166 144 59 ASP H H 9.051 0.020 1 167 144 59 ASP HA H 4.502 0.020 1 168 144 59 ASP HB2 H 2.737 0.020 2 169 144 59 ASP HB3 H 2.737 0.020 2 170 144 59 ASP CA C 57.676 0.400 1 171 144 59 ASP CB C 40.505 0.400 1 172 144 59 ASP N N 124.541 0.400 1 173 145 60 TYR H H 8.571 0.020 1 174 145 60 TYR HA H 4.197 0.020 1 175 145 60 TYR HB2 H 3.264 0.020 2 176 145 60 TYR HB3 H 2.860 0.020 2 177 145 60 TYR HD1 H 7.047 0.020 1 178 145 60 TYR HD2 H 7.047 0.020 1 179 145 60 TYR HE1 H 6.756 0.020 1 180 145 60 TYR HE2 H 6.756 0.020 1 181 145 60 TYR CA C 61.232 0.400 1 182 145 60 TYR CB C 37.912 0.400 1 183 145 60 TYR CD1 C 133.312 0.400 1 184 145 60 TYR CE1 C 117.570 0.400 1 185 145 60 TYR N N 118.914 0.400 1 186 146 61 GLU H H 7.737 0.020 1 187 146 61 GLU HA H 3.590 0.020 1 188 146 61 GLU HB2 H 1.888 0.020 2 189 146 61 GLU HB3 H 1.550 0.020 2 190 146 61 GLU HG2 H 2.254 0.020 2 191 146 61 GLU HG3 H 1.914 0.020 2 192 146 61 GLU CA C 59.607 0.400 1 193 146 61 GLU CB C 30.059 0.400 1 194 146 61 GLU CG C 37.628 0.400 1 195 146 61 GLU N N 118.985 0.400 1 196 147 62 ASP H H 8.213 0.020 1 197 147 62 ASP HA H 4.666 0.020 1 198 147 62 ASP HB2 H 3.031 0.020 2 199 147 62 ASP HB3 H 2.873 0.020 2 200 147 62 ASP CA C 58.292 0.400 1 201 147 62 ASP CB C 40.171 0.400 1 202 147 62 ASP N N 119.785 0.400 1 203 148 63 ARG H H 8.229 0.020 1 204 148 63 ARG HA H 4.016 0.020 1 205 148 63 ARG HB2 H 1.913 0.020 2 206 148 63 ARG HB3 H 1.913 0.020 2 207 148 63 ARG HD2 H 3.219 0.020 2 208 148 63 ARG HD3 H 3.219 0.020 2 209 148 63 ARG HE H 7.484 0.020 1 210 148 63 ARG HG2 H 1.763 0.020 2 211 148 63 ARG HG3 H 1.565 0.020 2 212 148 63 ARG CA C 59.611 0.400 1 213 148 63 ARG CB C 30.059 0.400 1 214 148 63 ARG CD C 43.437 0.400 1 215 148 63 ARG CG C 27.847 0.400 1 216 148 63 ARG N N 120.339 0.400 1 217 148 63 ARG NE N 85.268 0.400 1 218 149 64 TYR H H 8.340 0.020 1 219 149 64 TYR HA H 3.829 0.020 1 220 149 64 TYR HB2 H 2.868 0.020 2 221 149 64 TYR HB3 H 2.615 0.020 2 222 149 64 TYR HD1 H 6.939 0.020 1 223 149 64 TYR HD2 H 6.939 0.020 1 224 149 64 TYR HE1 H 6.812 0.020 1 225 149 64 TYR HE2 H 6.812 0.020 1 226 149 64 TYR CA C 61.991 0.400 1 227 149 64 TYR CB C 38.417 0.400 1 228 149 64 TYR CD1 C 133.381 0.400 1 229 149 64 TYR CE1 C 117.970 0.400 1 230 149 64 TYR N N 121.093 0.400 1 231 150 65 TYR H H 8.979 0.020 1 232 150 65 TYR HA H 4.132 0.020 1 233 150 65 TYR HB2 H 3.524 0.020 2 234 150 65 TYR HB3 H 3.253 0.020 2 235 150 65 TYR HD1 H 7.527 0.020 1 236 150 65 TYR HD2 H 7.527 0.020 1 237 150 65 TYR HE1 H 7.006 0.020 1 238 150 65 TYR HE2 H 7.006 0.020 1 239 150 65 TYR CA C 62.691 0.400 1 240 150 65 TYR CB C 38.025 0.400 1 241 150 65 TYR CD1 C 133.557 0.400 1 242 150 65 TYR CE1 C 118.117 0.400 1 243 150 65 TYR N N 120.575 0.400 1 244 151 66 ARG H H 7.997 0.020 1 245 151 66 ARG HA H 3.925 0.020 1 246 151 66 ARG HB2 H 2.059 0.020 2 247 151 66 ARG HB3 H 1.943 0.020 2 248 151 66 ARG HD2 H 3.281 0.020 2 249 151 66 ARG HD3 H 3.238 0.020 2 250 151 66 ARG HE H 7.495 0.020 1 251 151 66 ARG HG2 H 2.027 0.020 2 252 151 66 ARG HG3 H 1.738 0.020 2 253 151 66 ARG CA C 60.050 0.400 1 254 151 66 ARG CB C 29.901 0.400 1 255 151 66 ARG CD C 43.411 0.400 1 256 151 66 ARG CG C 27.899 0.400 1 257 151 66 ARG N N 117.799 0.400 1 258 151 66 ARG NE N 84.324 0.400 1 259 152 67 GLU H H 8.076 0.020 1 260 152 67 GLU HA H 4.082 0.020 1 261 152 67 GLU HB2 H 1.897 0.020 2 262 152 67 GLU HB3 H 1.897 0.020 2 263 152 67 GLU HG2 H 2.429 0.020 2 264 152 67 GLU HG3 H 2.223 0.020 2 265 152 67 GLU CA C 58.125 0.400 1 266 152 67 GLU CB C 29.743 0.400 1 267 152 67 GLU CG C 35.860 0.400 1 268 152 67 GLU N N 116.601 0.400 1 269 153 68 ASN H H 7.621 0.020 1 270 153 68 ASN HA H 4.321 0.020 1 271 153 68 ASN HB2 H 2.159 0.020 2 272 153 68 ASN HB3 H 2.159 0.020 2 273 153 68 ASN HD21 H 6.717 0.020 2 274 153 68 ASN HD22 H 6.578 0.020 2 275 153 68 ASN CA C 54.958 0.400 1 276 153 68 ASN CB C 41.041 0.400 1 277 153 68 ASN N N 114.623 0.400 1 278 153 68 ASN ND2 N 117.015 0.400 1 279 154 69 MET H H 8.105 0.020 1 280 154 69 MET HA H 3.458 0.020 1 281 154 69 MET HB2 H 1.654 0.020 2 282 154 69 MET HB3 H 1.349 0.020 2 283 154 69 MET HE H 2.018 0.020 1 284 154 69 MET HG2 H 2.540 0.020 2 285 154 69 MET HG3 H 2.153 0.020 2 286 154 69 MET CA C 59.104 0.400 1 287 154 69 MET CB C 30.533 0.400 1 288 154 69 MET CE C 17.443 0.400 1 289 154 69 MET CG C 30.661 0.400 1 290 154 69 MET N N 119.633 0.400 1 291 155 70 HIS H H 8.070 0.020 1 292 155 70 HIS HD2 H 7.292 0.020 1 293 155 70 HIS CA C 57.650 0.400 1 294 155 70 HIS CB C 27.591 0.400 1 295 155 70 HIS CD2 C 120.127 0.400 1 296 155 70 HIS N N 115.018 0.400 1 297 156 71 ARG H H 7.618 0.020 1 298 156 71 ARG HE H 7.402 0.020 1 299 156 71 ARG CA C 56.278 0.400 1 300 156 71 ARG CB C 30.770 0.400 1 301 156 71 ARG CD C 44.122 0.400 1 302 156 71 ARG CG C 27.172 0.400 1 303 156 71 ARG N N 118.197 0.400 1 304 156 71 ARG NE N 84.248 0.400 1 305 157 72 TYR H H 7.473 0.020 1 306 157 72 TYR HA H 5.034 0.020 1 307 157 72 TYR HB2 H 3.209 0.020 2 308 157 72 TYR HB3 H 3.120 0.020 2 309 157 72 TYR HD1 H 6.883 0.020 1 310 157 72 TYR HD2 H 6.883 0.020 1 311 157 72 TYR HE1 H 6.537 0.020 1 312 157 72 TYR HE2 H 6.537 0.020 1 313 157 72 TYR CA C 52.768 0.400 1 314 157 72 TYR CB C 35.150 0.400 1 315 157 72 TYR CD1 C 131.305 0.400 1 316 157 72 TYR CE1 C 117.471 0.400 1 317 157 72 TYR N N 120.873 0.400 1 318 158 73 PRO HA H 4.425 0.020 1 319 158 73 PRO HB2 H 1.678 0.020 2 320 158 73 PRO HB3 H 2.343 0.020 2 321 158 73 PRO HD2 H 3.309 0.020 2 322 158 73 PRO HD3 H 3.132 0.020 2 323 158 73 PRO HG2 H 1.551 0.020 2 324 158 73 PRO HG3 H 1.330 0.020 2 325 158 73 PRO CA C 63.737 0.400 1 326 158 73 PRO CB C 32.071 0.400 1 327 158 73 PRO CD C 49.958 0.400 1 328 158 73 PRO CG C 27.209 0.400 1 329 159 74 ASN H H 8.562 0.020 1 330 159 74 ASN HA H 4.708 0.020 1 331 159 74 ASN HB2 H 3.639 0.020 2 332 159 74 ASN HB3 H 2.433 0.020 2 333 159 74 ASN HD21 H 7.490 0.020 2 334 159 74 ASN HD22 H 6.783 0.020 2 335 159 74 ASN CA C 51.965 0.400 1 336 159 74 ASN CB C 37.898 0.400 1 337 159 74 ASN N N 116.213 0.400 1 338 159 74 ASN ND2 N 109.149 0.400 1 339 160 75 GLN H H 7.302 0.020 1 340 160 75 GLN HA H 4.479 0.020 1 341 160 75 GLN HB2 H 2.106 0.020 2 342 160 75 GLN HB3 H 1.996 0.020 2 343 160 75 GLN HE21 H 7.896 0.020 2 344 160 75 GLN HE22 H 6.973 0.020 2 345 160 75 GLN CA C 54.184 0.400 1 346 160 75 GLN CB C 34.167 0.400 1 347 160 75 GLN N N 114.122 0.400 1 348 160 75 GLN NE2 N 112.597 0.400 1 349 161 76 VAL H H 8.635 0.020 1 350 161 76 VAL HA H 4.916 0.020 1 351 161 76 VAL HB H 2.612 0.020 1 352 161 76 VAL HG1 H 0.973 0.020 2 353 161 76 VAL HG2 H 0.778 0.020 2 354 161 76 VAL CA C 58.557 0.400 1 355 161 76 VAL CB C 33.635 0.400 1 356 161 76 VAL CG1 C 23.602 0.400 1 357 161 76 VAL CG2 C 18.210 0.400 1 358 161 76 VAL N N 112.903 0.400 1 359 162 77 TYR H H 8.554 0.020 1 360 162 77 TYR HA H 5.440 0.020 1 361 162 77 TYR HB2 H 2.627 0.020 2 362 162 77 TYR HB3 H 2.504 0.020 2 363 162 77 TYR HD1 H 6.853 0.020 1 364 162 77 TYR HD2 H 6.853 0.020 1 365 162 77 TYR HE1 H 6.713 0.020 1 366 162 77 TYR HE2 H 6.713 0.020 1 367 162 77 TYR CA C 57.057 0.400 1 368 162 77 TYR CB C 42.147 0.400 1 369 162 77 TYR CD1 C 133.249 0.400 1 370 162 77 TYR CE1 C 118.017 0.400 1 371 162 77 TYR N N 120.972 0.400 1 372 163 78 TYR H H 8.686 0.020 1 373 163 78 TYR HA H 4.797 0.020 1 374 163 78 TYR HB2 H 2.615 0.020 2 375 163 78 TYR HB3 H 2.369 0.020 2 376 163 78 TYR HD1 H 7.010 0.020 1 377 163 78 TYR HD2 H 7.010 0.020 1 378 163 78 TYR HE1 H 6.811 0.020 1 379 163 78 TYR HE2 H 6.811 0.020 1 380 163 78 TYR CA C 55.484 0.400 1 381 163 78 TYR CD1 C 133.006 0.400 1 382 163 78 TYR CE1 C 118.143 0.400 1 383 163 78 TYR N N 111.059 0.400 1 384 164 79 ARG HE H 7.065 0.020 1 385 164 79 ARG NE N 84.082 0.400 1 386 165 80 PRO HG2 H 2.150 0.020 2 387 165 80 PRO HG3 H 2.150 0.020 2 388 165 80 PRO CG C 27.965 0.400 1 389 166 81 MET HE H 1.834 0.020 1 390 166 81 MET CE C 16.832 0.400 1 391 169 84 TYR HD1 H 7.178 0.020 1 392 169 84 TYR HD2 H 7.178 0.020 1 393 169 84 TYR HE1 H 6.861 0.020 1 394 169 84 TYR HE2 H 6.861 0.020 1 395 169 84 TYR CD1 C 133.050 0.400 1 396 169 84 TYR CE1 C 118.132 0.400 1 397 171 86 ASN HA H 4.733 0.020 1 398 171 86 ASN HB2 H 3.059 0.020 2 399 171 86 ASN HB3 H 3.024 0.020 2 400 171 86 ASN HD21 H 7.677 0.020 2 401 171 86 ASN HD22 H 6.849 0.020 2 402 171 86 ASN CA C 52.388 0.400 1 403 171 86 ASN CB C 39.935 0.400 1 404 171 86 ASN ND2 N 113.634 0.400 1 405 172 87 GLN H H 8.740 0.020 1 406 172 87 GLN HE21 H 7.181 0.020 2 407 172 87 GLN HE22 H 6.948 0.020 2 408 172 87 GLN CA C 59.906 0.400 1 409 172 87 GLN CB C 29.065 0.400 1 410 172 87 GLN CG C 33.477 0.400 1 411 172 87 GLN N N 121.279 0.400 1 412 172 87 GLN NE2 N 111.326 0.400 1 413 173 88 ASN H H 8.427 0.020 1 414 173 88 ASN HA H 4.255 0.020 1 415 173 88 ASN HB2 H 2.774 0.020 2 416 173 88 ASN HB3 H 2.686 0.020 2 417 173 88 ASN HD21 H 7.606 0.020 2 418 173 88 ASN HD22 H 6.957 0.020 2 419 173 88 ASN CA C 56.396 0.400 1 420 173 88 ASN CB C 37.912 0.400 1 421 173 88 ASN N N 116.210 0.400 1 422 173 88 ASN ND2 N 112.701 0.400 1 423 174 89 ASN H H 8.542 0.020 1 424 174 89 ASN HA H 4.509 0.020 1 425 174 89 ASN HB2 H 2.847 0.020 2 426 174 89 ASN HB3 H 2.847 0.020 2 427 174 89 ASN HD21 H 7.603 0.020 2 428 174 89 ASN HD22 H 6.842 0.020 2 429 174 89 ASN CA C 56.013 0.400 1 430 174 89 ASN CB C 38.359 0.400 1 431 174 89 ASN N N 118.573 0.400 1 432 174 89 ASN ND2 N 112.118 0.400 1 433 175 90 PHE H H 8.113 0.020 1 434 175 90 PHE CA C 61.432 0.400 1 435 175 90 PHE N N 120.437 0.400 1 436 176 91 VAL H H 9.215 0.020 1 437 176 91 VAL HA H 3.608 0.020 1 438 176 91 VAL HB H 2.289 0.020 1 439 176 91 VAL HG1 H 1.081 0.020 2 440 176 91 VAL HG2 H 1.081 0.020 2 441 176 91 VAL CA C 67.888 0.400 1 442 176 91 VAL CB C 32.042 0.400 1 443 176 91 VAL CG1 C 24.656 0.400 1 444 176 91 VAL N N 120.071 0.400 1 445 177 92 HIS H H 8.497 0.020 1 446 177 92 HIS HA H 4.353 0.020 1 447 177 92 HIS HB2 H 3.390 0.020 2 448 177 92 HIS HB3 H 3.299 0.020 2 449 177 92 HIS CA C 59.251 0.400 1 450 177 92 HIS CB C 28.104 0.400 1 451 177 92 HIS N N 117.399 0.400 1 452 178 93 ASN H H 7.860 0.020 1 453 178 93 ASN HA H 4.521 0.020 1 454 178 93 ASN HB2 H 3.003 0.020 2 455 178 93 ASN HB3 H 3.003 0.020 2 456 178 93 ASN HD21 H 7.794 0.020 2 457 178 93 ASN HD22 H 6.966 0.020 2 458 178 93 ASN CA C 56.244 0.400 1 459 178 93 ASN CB C 37.934 0.400 1 460 178 93 ASN N N 116.474 0.400 1 461 178 93 ASN ND2 N 112.943 0.400 1 462 179 94 CYS H H 8.133 0.020 1 463 179 94 CYS CA C 58.595 0.400 1 464 179 94 CYS CB C 40.911 0.400 1 465 179 94 CYS N N 120.418 0.400 1 466 180 95 VAL H H 9.280 0.020 1 467 180 95 VAL HA H 3.654 0.020 1 468 180 95 VAL HB H 2.192 0.020 1 469 180 95 VAL HG1 H 0.974 0.020 2 470 180 95 VAL HG2 H 1.101 0.020 2 471 180 95 VAL CA C 66.400 0.400 1 472 180 95 VAL CB C 31.912 0.400 1 473 180 95 VAL CG1 C 21.709 0.400 1 474 180 95 VAL CG2 C 23.431 0.400 1 475 180 95 VAL N N 125.212 0.400 1 476 181 96 ASN H H 7.696 0.020 1 477 181 96 ASN HA H 4.321 0.020 1 478 181 96 ASN HB2 H 2.808 0.020 2 479 181 96 ASN HB3 H 2.733 0.020 2 480 181 96 ASN HD21 H 7.551 0.020 2 481 181 96 ASN HD22 H 6.786 0.020 2 482 181 96 ASN CA C 56.419 0.400 1 483 181 96 ASN CB C 38.654 0.400 1 484 181 96 ASN N N 115.816 0.400 1 485 181 96 ASN ND2 N 111.496 0.400 1 486 182 97 ILE H H 8.385 0.020 1 487 182 97 ILE HA H 3.726 0.020 1 488 182 97 ILE HB H 1.525 0.020 1 489 182 97 ILE HD1 H 0.347 0.020 1 490 182 97 ILE HG12 H 0.762 0.020 2 491 182 97 ILE HG13 H 0.831 0.020 2 492 182 97 ILE HG2 H 0.212 0.020 1 493 182 97 ILE CA C 62.446 0.400 1 494 182 97 ILE CB C 36.464 0.400 1 495 182 97 ILE CD1 C 11.084 0.400 1 496 182 97 ILE CG1 C 27.705 0.400 1 497 182 97 ILE CG2 C 18.127 0.400 1 498 182 97 ILE N N 118.191 0.400 1 499 183 98 THR H H 8.157 0.020 1 500 183 98 THR HA H 4.078 0.020 1 501 183 98 THR HB H 4.490 0.020 1 502 183 98 THR HG2 H 1.510 0.020 1 503 183 98 THR CA C 68.807 0.400 1 504 183 98 THR CB C 68.239 0.400 1 505 183 98 THR CG2 C 22.136 0.400 1 506 183 98 THR N N 117.797 0.400 1 507 184 99 ILE H H 8.528 0.020 1 508 184 99 ILE HA H 3.727 0.020 1 509 184 99 ILE HB H 2.091 0.020 1 510 184 99 ILE HD1 H 0.770 0.020 1 511 184 99 ILE HG12 H 1.798 0.020 2 512 184 99 ILE HG13 H 1.249 0.020 2 513 184 99 ILE HG2 H 0.885 0.020 1 514 184 99 ILE CA C 65.621 0.400 1 515 184 99 ILE CB C 36.531 0.400 1 516 184 99 ILE CD1 C 12.356 0.400 1 517 184 99 ILE CG1 C 29.612 0.400 1 518 184 99 ILE CG2 C 16.654 0.400 1 519 184 99 ILE N N 120.576 0.400 1 520 185 100 LYS H H 7.953 0.020 1 521 185 100 LYS HA H 4.068 0.020 1 522 185 100 LYS HB2 H 1.862 0.020 2 523 185 100 LYS HB3 H 1.920 0.020 2 524 185 100 LYS HD2 H 1.600 0.020 2 525 185 100 LYS HD3 H 1.600 0.020 2 526 185 100 LYS HE2 H 2.891 0.020 2 527 185 100 LYS HE3 H 2.891 0.020 2 528 185 100 LYS HG2 H 1.483 0.020 2 529 185 100 LYS HG3 H 1.483 0.020 2 530 185 100 LYS CA C 59.636 0.400 1 531 185 100 LYS CB C 31.989 0.400 1 532 185 100 LYS CD C 29.190 0.400 1 533 185 100 LYS CE C 41.962 0.400 1 534 185 100 LYS CG C 25.002 0.400 1 535 185 100 LYS N N 122.562 0.400 1 536 186 101 GLN H H 8.376 0.020 1 537 186 101 GLN HE21 H 6.792 0.020 2 538 186 101 GLN HE22 H 6.685 0.020 2 539 186 101 GLN CA C 57.741 0.400 1 540 186 101 GLN N N 116.213 0.400 1 541 186 101 GLN NE2 N 109.931 0.400 1 542 187 102 HIS H H 8.199 0.020 1 543 187 102 HIS HA H 4.593 0.020 1 544 187 102 HIS HB2 H 3.300 0.020 2 545 187 102 HIS HB3 H 3.300 0.020 2 546 187 102 HIS CA C 59.062 0.400 1 547 187 102 HIS CB C 30.384 0.400 1 548 187 102 HIS N N 118.199 0.400 1 549 188 103 THR H H 8.245 0.020 1 550 188 103 THR HA H 4.184 0.020 1 551 188 103 THR HB H 4.426 0.020 1 552 188 103 THR HG2 H 1.248 0.020 1 553 188 103 THR CA C 65.017 0.400 1 554 188 103 THR CB C 69.167 0.400 1 555 188 103 THR CG2 C 21.526 0.400 1 556 188 103 THR N N 113.748 0.400 1 557 189 104 VAL H H 8.013 0.020 1 558 189 104 VAL HA H 4.004 0.020 1 559 189 104 VAL HB H 2.222 0.020 1 560 189 104 VAL HG1 H 1.026 0.020 2 561 189 104 VAL HG2 H 0.956 0.020 2 562 189 104 VAL CA C 65.151 0.400 1 563 189 104 VAL CB C 31.743 0.400 1 564 189 104 VAL CG1 C 21.399 0.400 1 565 189 104 VAL CG2 C 20.963 0.400 1 566 189 104 VAL N N 122.142 0.400 1 567 190 105 THR H H 8.092 0.020 1 568 190 105 THR HA H 4.250 0.020 1 569 190 105 THR HB H 4.595 0.020 1 570 190 105 THR HG2 H 1.271 0.020 1 571 190 105 THR CA C 64.314 0.400 1 572 190 105 THR CB C 69.159 0.400 1 573 190 105 THR CG2 C 21.797 0.400 1 574 190 105 THR N N 115.022 0.400 1 575 191 106 THR H H 8.017 0.020 1 576 191 106 THR HA H 4.214 0.020 1 577 191 106 THR HB H 4.740 0.020 1 578 191 106 THR HG2 H 1.025 0.020 1 579 191 106 THR CA C 63.874 0.400 1 580 191 106 THR CB C 69.009 0.400 1 581 191 106 THR CG2 C 21.369 0.400 1 582 191 106 THR N N 114.622 0.400 1 583 192 107 THR H H 8.194 0.020 1 584 192 107 THR CA C 64.201 0.400 1 585 192 107 THR CB C 69.159 0.400 1 586 192 107 THR CG2 C 21.489 0.400 1 587 192 107 THR N N 116.611 0.400 1 588 193 108 THR H H 7.932 0.020 1 589 193 108 THR CA C 63.871 0.400 1 590 193 108 THR CB C 69.002 0.400 1 591 193 108 THR CG2 C 21.686 0.400 1 592 193 108 THR N N 116.096 0.400 1 593 194 109 LYS H H 7.821 0.020 1 594 194 109 LYS HA H 4.364 0.020 1 595 194 109 LYS HB2 H 1.952 0.020 2 596 194 109 LYS HB3 H 1.829 0.020 2 597 194 109 LYS HD2 H 1.679 0.020 2 598 194 109 LYS HD3 H 1.679 0.020 2 599 194 109 LYS HE2 H 2.961 0.020 2 600 194 109 LYS HE3 H 2.961 0.020 2 601 194 109 LYS HG2 H 1.497 0.020 2 602 194 109 LYS HG3 H 1.497 0.020 2 603 194 109 LYS CA C 56.285 0.400 1 604 194 109 LYS CB C 32.636 0.400 1 605 194 109 LYS CD C 29.180 0.400 1 606 194 109 LYS CE C 42.218 0.400 1 607 194 109 LYS CG C 24.860 0.400 1 608 194 109 LYS N N 120.975 0.400 1 609 195 110 GLY H H 8.109 0.020 1 610 195 110 GLY HA2 H 3.858 0.020 2 611 195 110 GLY HA3 H 4.083 0.020 2 612 195 110 GLY CA C 45.511 0.400 1 613 195 110 GLY N N 108.675 0.400 1 614 196 111 GLU H H 7.706 0.020 1 615 196 111 GLU HA H 4.258 0.020 1 616 196 111 GLU HB2 H 1.657 0.020 2 617 196 111 GLU HB3 H 1.657 0.020 2 618 196 111 GLU HG2 H 2.110 0.020 2 619 196 111 GLU HG3 H 2.052 0.020 2 620 196 111 GLU CA C 55.837 0.400 1 621 196 111 GLU CB C 30.673 0.400 1 622 196 111 GLU CG C 35.495 0.400 1 623 196 111 GLU N N 120.028 0.400 1 624 197 112 ASN H H 8.460 0.020 1 625 197 112 ASN HA H 4.668 0.020 1 626 197 112 ASN HB2 H 2.674 0.020 2 627 197 112 ASN HB3 H 2.613 0.020 2 628 197 112 ASN HD21 H 7.538 0.020 2 629 197 112 ASN HD22 H 6.827 0.020 2 630 197 112 ASN CA C 52.923 0.400 1 631 197 112 ASN CB C 40.491 0.400 1 632 197 112 ASN N N 119.716 0.400 1 633 197 112 ASN ND2 N 113.003 0.400 1 634 198 113 PHE H H 8.655 0.020 1 635 198 113 PHE HA H 5.262 0.020 1 636 198 113 PHE HB2 H 3.173 0.020 2 637 198 113 PHE HB3 H 2.977 0.020 2 638 198 113 PHE CA C 56.640 0.400 1 639 198 113 PHE CB C 39.899 0.400 1 640 198 113 PHE N N 122.046 0.400 1 641 199 114 THR H H 9.506 0.020 1 642 199 114 THR HA H 4.625 0.020 1 643 199 114 THR HB H 4.842 0.020 1 644 199 114 THR HG2 H 1.426 0.020 1 645 199 114 THR CA C 60.305 0.400 1 646 199 114 THR CB C 72.033 0.400 1 647 199 114 THR CG2 C 21.604 0.400 1 648 199 114 THR N N 116.124 0.400 1 649 200 115 GLU H H 9.120 0.020 1 650 200 115 GLU HA H 4.051 0.020 1 651 200 115 GLU HB2 H 2.112 0.020 2 652 200 115 GLU HB3 H 2.053 0.020 2 653 200 115 GLU HG2 H 2.400 0.020 2 654 200 115 GLU HG3 H 2.332 0.020 2 655 200 115 GLU CA C 59.877 0.400 1 656 200 115 GLU CB C 28.787 0.400 1 657 200 115 GLU CG C 35.856 0.400 1 658 200 115 GLU N N 119.993 0.400 1 659 201 116 THR H H 7.955 0.020 1 660 201 116 THR HA H 3.794 0.020 1 661 201 116 THR HB H 3.721 0.020 1 662 201 116 THR HG2 H 0.703 0.020 1 663 201 116 THR CA C 66.734 0.400 1 664 201 116 THR CB C 68.624 0.400 1 665 201 116 THR CG2 C 20.934 0.400 1 666 201 116 THR N N 116.160 0.400 1 667 202 117 ASP H H 7.505 0.020 1 668 202 117 ASP HA H 4.577 0.020 1 669 202 117 ASP HB2 H 3.328 0.020 2 670 202 117 ASP HB3 H 2.567 0.020 2 671 202 117 ASP CA C 58.057 0.400 1 672 202 117 ASP CB C 41.747 0.400 1 673 202 117 ASP N N 120.175 0.400 1 674 203 118 VAL H H 8.236 0.020 1 675 203 118 VAL HA H 3.324 0.020 1 676 203 118 VAL HB H 2.122 0.020 1 677 203 118 VAL HG1 H 0.998 0.020 2 678 203 118 VAL HG2 H 0.905 0.020 2 679 203 118 VAL CA C 67.799 0.400 1 680 203 118 VAL CB C 31.269 0.400 1 681 203 118 VAL CG1 C 22.645 0.400 1 682 203 118 VAL CG2 C 21.000 0.400 1 683 203 118 VAL N N 119.654 0.400 1 684 204 119 LYS H H 7.740 0.020 1 685 204 119 LYS HA H 4.090 0.020 1 686 204 119 LYS HB2 H 1.948 0.020 2 687 204 119 LYS HB3 H 1.918 0.020 2 688 204 119 LYS HD2 H 1.647 0.020 2 689 204 119 LYS HD3 H 1.647 0.020 2 690 204 119 LYS HE2 H 2.868 0.020 2 691 204 119 LYS HE3 H 2.868 0.020 2 692 204 119 LYS HG2 H 1.625 0.020 2 693 204 119 LYS HG3 H 1.439 0.020 2 694 204 119 LYS CA C 59.368 0.400 1 695 204 119 LYS CB C 32.165 0.400 1 696 204 119 LYS CD C 29.259 0.400 1 697 204 119 LYS CE C 41.983 0.400 1 698 204 119 LYS CG C 24.979 0.400 1 699 204 119 LYS N N 119.288 0.400 1 700 205 120 MET H H 8.235 0.020 1 701 205 120 MET HA H 4.158 0.020 1 702 205 120 MET HB2 H 2.463 0.020 2 703 205 120 MET HB3 H 1.956 0.020 2 704 205 120 MET HE H 1.483 0.020 1 705 205 120 MET HG2 H 2.924 0.020 2 706 205 120 MET HG3 H 2.192 0.020 2 707 205 120 MET CA C 59.819 0.400 1 708 205 120 MET CB C 33.078 0.400 1 709 205 120 MET CE C 17.981 0.400 1 710 205 120 MET CG C 33.983 0.400 1 711 205 120 MET N N 118.767 0.400 1 712 206 121 MET H H 8.755 0.020 1 713 206 121 MET HA H 3.580 0.020 1 714 206 121 MET HB2 H 1.734 0.020 2 715 206 121 MET HB3 H 1.560 0.020 2 716 206 121 MET HE H 1.418 0.020 1 717 206 121 MET HG2 H 1.854 0.020 2 718 206 121 MET HG3 H 1.854 0.020 2 719 206 121 MET CA C 59.639 0.400 1 720 206 121 MET CB C 32.777 0.400 1 721 206 121 MET CE C 15.850 0.400 1 722 206 121 MET CG C 33.949 0.400 1 723 206 121 MET N N 118.428 0.400 1 724 207 122 GLU H H 8.419 0.020 1 725 207 122 GLU HA H 3.688 0.020 1 726 207 122 GLU HB2 H 2.214 0.020 2 727 207 122 GLU HB3 H 2.062 0.020 2 728 207 122 GLU HG2 H 2.545 0.020 2 729 207 122 GLU HG3 H 2.162 0.020 2 730 207 122 GLU CA C 60.390 0.400 1 731 207 122 GLU CB C 28.448 0.400 1 732 207 122 GLU CG C 35.179 0.400 1 733 207 122 GLU N N 118.469 0.400 1 734 208 123 ARG H H 7.344 0.020 1 735 208 123 ARG HA H 4.163 0.020 1 736 208 123 ARG HB2 H 1.948 0.020 2 737 208 123 ARG HB3 H 1.948 0.020 2 738 208 123 ARG HD2 H 3.258 0.020 2 739 208 123 ARG HD3 H 3.163 0.020 2 740 208 123 ARG HE H 7.292 0.020 1 741 208 123 ARG HG2 H 1.830 0.020 2 742 208 123 ARG HG3 H 1.714 0.020 2 743 208 123 ARG CA C 58.537 0.400 1 744 208 123 ARG CB C 29.925 0.400 1 745 208 123 ARG CD C 42.502 0.400 1 746 208 123 ARG CG C 26.953 0.400 1 747 208 123 ARG N N 116.990 0.400 1 748 208 123 ARG NE N 83.408 0.400 1 749 209 124 VAL H H 8.299 0.020 1 750 209 124 VAL HA H 3.798 0.020 1 751 209 124 VAL HB H 2.327 0.020 1 752 209 124 VAL HG1 H 1.314 0.020 2 753 209 124 VAL HG2 H 1.267 0.020 2 754 209 124 VAL CA C 65.995 0.400 1 755 209 124 VAL CB C 32.075 0.400 1 756 209 124 VAL CG1 C 23.986 0.400 1 757 209 124 VAL CG2 C 20.909 0.400 1 758 209 124 VAL N N 119.301 0.400 1 759 210 125 VAL H H 9.016 0.020 1 760 210 125 VAL HA H 3.643 0.020 1 761 210 125 VAL HB H 2.259 0.020 1 762 210 125 VAL HG1 H 1.236 0.020 2 763 210 125 VAL HG2 H 0.971 0.020 2 764 210 125 VAL CA C 66.591 0.400 1 765 210 125 VAL CB C 31.836 0.400 1 766 210 125 VAL CG1 C 24.419 0.400 1 767 210 125 VAL CG2 C 24.123 0.400 1 768 210 125 VAL N N 121.312 0.400 1 769 211 126 GLU H H 8.153 0.020 1 770 211 126 GLU HA H 3.622 0.020 1 771 211 126 GLU HB2 H 2.161 0.020 2 772 211 126 GLU HB3 H 2.161 0.020 2 773 211 126 GLU HG2 H 2.251 0.020 2 774 211 126 GLU HG3 H 2.251 0.020 2 775 211 126 GLU CA C 60.997 0.400 1 776 211 126 GLU CB C 28.921 0.400 1 777 211 126 GLU CG C 35.846 0.400 1 778 211 126 GLU N N 120.456 0.400 1 779 212 127 GLN H H 7.274 0.020 1 780 212 127 GLN HE21 H 7.330 0.020 2 781 212 127 GLN HE22 H 6.631 0.020 2 782 212 127 GLN CA C 58.803 0.400 1 783 212 127 GLN N N 115.025 0.400 1 784 212 127 GLN NE2 N 114.873 0.400 1 785 213 128 MET H H 8.324 0.020 1 786 213 128 MET HA H 4.146 0.020 1 787 213 128 MET HB2 H 2.465 0.020 2 788 213 128 MET HB3 H 2.465 0.020 2 789 213 128 MET HE H 1.894 0.020 1 790 213 128 MET CA C 59.976 0.400 1 791 213 128 MET CB C 31.911 0.400 1 792 213 128 MET CE C 16.386 0.400 1 793 213 128 MET N N 119.344 0.400 1 794 214 129 CYS H H 9.219 0.020 1 795 214 129 CYS CA C 59.821 0.400 1 796 214 129 CYS N N 118.992 0.400 1 797 215 130 ILE H H 8.340 0.020 1 798 215 130 ILE HA H 3.563 0.020 1 799 215 130 ILE HB H 2.005 0.020 1 800 215 130 ILE HD1 H 0.852 0.020 1 801 215 130 ILE HG12 H 1.971 0.020 2 802 215 130 ILE HG13 H 0.851 0.020 2 803 215 130 ILE HG2 H 0.885 0.020 1 804 215 130 ILE CA C 66.751 0.400 1 805 215 130 ILE CB C 37.814 0.400 1 806 215 130 ILE CD1 C 13.828 0.400 1 807 215 130 ILE CG1 C 30.705 0.400 1 808 215 130 ILE CG2 C 16.947 0.400 1 809 215 130 ILE N N 123.750 0.400 1 810 216 131 THR H H 8.142 0.020 1 811 216 131 THR HA H 3.940 0.020 1 812 216 131 THR HB H 4.322 0.020 1 813 216 131 THR HG2 H 1.237 0.020 1 814 216 131 THR CA C 66.898 0.400 1 815 216 131 THR CB C 69.608 0.400 1 816 216 131 THR CG2 C 21.956 0.400 1 817 216 131 THR N N 118.528 0.400 1 818 217 132 GLN H H 8.687 0.020 1 819 217 132 GLN HA H 3.688 0.020 1 820 217 132 GLN HB2 H 2.290 0.020 2 821 217 132 GLN HB3 H 2.134 0.020 2 822 217 132 GLN HE21 H 7.537 0.020 2 823 217 132 GLN HE22 H 6.894 0.020 2 824 217 132 GLN HG2 H 2.601 0.020 2 825 217 132 GLN HG3 H 2.601 0.020 2 826 217 132 GLN CA C 58.527 0.400 1 827 217 132 GLN CB C 28.353 0.400 1 828 217 132 GLN CG C 34.681 0.400 1 829 217 132 GLN N N 121.765 0.400 1 830 217 132 GLN NE2 N 113.146 0.400 1 831 218 133 TYR HA H 4.532 0.020 1 832 218 133 TYR HB2 H 3.063 0.020 2 833 218 133 TYR HB3 H 2.879 0.020 2 834 218 133 TYR HD1 H 6.290 0.020 1 835 218 133 TYR HD2 H 6.290 0.020 1 836 218 133 TYR HE1 H 6.610 0.020 1 837 218 133 TYR HE2 H 6.610 0.020 1 838 218 133 TYR CA C 55.867 0.400 1 839 218 133 TYR CB C 37.912 0.400 1 840 218 133 TYR CD1 C 132.528 0.400 1 841 218 133 TYR CE1 C 117.797 0.400 1 842 219 134 GLU H H 8.293 0.020 1 843 219 134 GLU HA H 3.689 0.020 1 844 219 134 GLU HB2 H 2.345 0.020 2 845 219 134 GLU HB3 H 2.051 0.020 2 846 219 134 GLU HG2 H 2.630 0.020 2 847 219 134 GLU HG3 H 2.370 0.020 2 848 219 134 GLU CA C 59.268 0.400 1 849 219 134 GLU CB C 28.324 0.400 1 850 219 134 GLU CG C 34.812 0.400 1 851 219 134 GLU N N 120.400 0.400 1 852 220 135 ARG H H 7.887 0.020 1 853 220 135 ARG HA H 3.981 0.020 1 854 220 135 ARG HB2 H 1.902 0.020 2 855 220 135 ARG HB3 H 1.817 0.020 2 856 220 135 ARG HD2 H 3.054 0.020 2 857 220 135 ARG HD3 H 2.896 0.020 2 858 220 135 ARG HE H 7.215 0.020 1 859 220 135 ARG HG2 H 1.834 0.020 2 860 220 135 ARG HG3 H 1.615 0.020 2 861 220 135 ARG CA C 59.266 0.400 1 862 220 135 ARG CB C 30.337 0.400 1 863 220 135 ARG CD C 43.827 0.400 1 864 220 135 ARG CG C 26.953 0.400 1 865 220 135 ARG N N 118.589 0.400 1 866 220 135 ARG NE N 84.246 0.400 1 867 222 137 SER HA H 3.954 0.020 1 868 222 137 SER HB2 H 3.581 0.020 2 869 222 137 SER HB3 H 3.358 0.020 2 870 222 137 SER CA C 60.572 0.400 1 871 222 137 SER CB C 62.761 0.400 1 872 223 138 GLN H H 7.624 0.020 1 873 223 138 GLN HA H 4.153 0.020 1 874 223 138 GLN HB2 H 2.079 0.020 2 875 223 138 GLN HB3 H 2.079 0.020 2 876 223 138 GLN HE21 H 7.462 0.020 2 877 223 138 GLN HE22 H 6.796 0.020 2 878 223 138 GLN HG2 H 2.470 0.020 2 879 223 138 GLN HG3 H 2.368 0.020 2 880 223 138 GLN CA C 57.658 0.400 1 881 223 138 GLN CB C 28.370 0.400 1 882 223 138 GLN CG C 33.572 0.400 1 883 223 138 GLN N N 120.575 0.400 1 884 223 138 GLN NE2 N 111.765 0.400 1 885 224 139 ALA H H 7.627 0.020 1 886 224 139 ALA HA H 4.156 0.020 1 887 224 139 ALA HB H 1.354 0.020 1 888 224 139 ALA CA C 54.017 0.400 1 889 224 139 ALA CB C 18.645 0.400 1 890 224 139 ALA N N 121.263 0.400 1 891 225 140 TYR H H 8.048 0.020 1 892 225 140 TYR HA H 4.204 0.020 1 893 225 140 TYR HB2 H 3.017 0.020 2 894 225 140 TYR HB3 H 2.895 0.020 2 895 225 140 TYR HD1 H 6.738 0.020 1 896 225 140 TYR HD2 H 6.738 0.020 1 897 225 140 TYR HE1 H 6.656 0.020 1 898 225 140 TYR HE2 H 6.656 0.020 1 899 225 140 TYR CA C 59.890 0.400 1 900 225 140 TYR CB C 38.994 0.400 1 901 225 140 TYR CD1 C 133.122 0.400 1 902 225 140 TYR CE1 C 117.710 0.400 1 903 225 140 TYR N N 118.980 0.400 1 904 226 141 TYR H H 7.948 0.020 1 905 226 141 TYR HA H 4.375 0.020 1 906 226 141 TYR HB2 H 3.141 0.020 2 907 226 141 TYR HB3 H 2.947 0.020 2 908 226 141 TYR HD1 H 7.180 0.020 1 909 226 141 TYR HD2 H 7.180 0.020 1 910 226 141 TYR HE1 H 6.825 0.020 1 911 226 141 TYR HE2 H 6.825 0.020 1 912 226 141 TYR CA C 59.036 0.400 1 913 226 141 TYR CB C 38.060 0.400 1 914 226 141 TYR CD1 C 133.346 0.400 1 915 226 141 TYR CE1 C 117.697 0.400 1 916 226 141 TYR N N 118.596 0.400 1 917 227 142 GLN H H 7.941 0.020 1 918 227 142 GLN HA H 4.240 0.020 1 919 227 142 GLN HB2 H 2.130 0.020 2 920 227 142 GLN HB3 H 2.038 0.020 2 921 227 142 GLN HE21 H 7.599 0.020 2 922 227 142 GLN HE22 H 6.899 0.020 2 923 227 142 GLN HG2 H 2.368 0.020 2 924 227 142 GLN HG3 H 2.368 0.020 2 925 227 142 GLN CA C 56.346 0.400 1 926 227 142 GLN CB C 28.912 0.400 1 927 227 142 GLN CG C 33.628 0.400 1 928 227 142 GLN N N 119.883 0.400 1 929 227 142 GLN NE2 N 112.557 0.400 1 930 228 143 ARG H H 7.966 0.020 1 931 228 143 ARG HA H 4.244 0.020 1 932 228 143 ARG HB2 H 1.812 0.020 2 933 228 143 ARG HB3 H 1.789 0.020 2 934 228 143 ARG HD2 H 3.146 0.020 2 935 228 143 ARG HD3 H 3.146 0.020 2 936 228 143 ARG HE H 7.170 0.020 1 937 228 143 ARG HG2 H 1.654 0.020 2 938 228 143 ARG HG3 H 1.610 0.020 2 939 228 143 ARG CA C 56.719 0.400 1 940 228 143 ARG CB C 30.731 0.400 1 941 228 143 ARG CD C 43.559 0.400 1 942 228 143 ARG CG C 27.111 0.400 1 943 228 143 ARG N N 120.871 0.400 1 944 228 143 ARG NE N 84.483 0.400 1 945 229 144 GLY H H 8.247 0.020 1 946 229 144 GLY HA2 H 3.992 0.020 2 947 229 144 GLY HA3 H 3.992 0.020 2 948 229 144 GLY CA C 45.359 0.400 1 949 229 144 GLY N N 109.072 0.400 1 950 230 145 SER H H 8.139 0.020 1 951 230 145 SER HA H 4.506 0.020 1 952 230 145 SER HB2 H 3.882 0.020 2 953 230 145 SER HB3 H 3.882 0.020 2 954 230 145 SER CA C 58.123 0.400 1 955 230 145 SER CB C 63.878 0.400 1 956 230 145 SER N N 115.684 0.400 1 957 231 146 SER H H 8.012 0.020 1 958 231 146 SER HA H 4.282 0.020 1 959 231 146 SER HB2 H 3.880 0.020 2 960 231 146 SER HB3 H 3.880 0.020 2 961 231 146 SER CA C 59.838 0.400 1 962 231 146 SER CB C 64.691 0.400 1 963 231 146 SER N N 122.562 0.400 1 stop_ save_